diff --git a/database/Amm.dat b/database/Amm.dat index 2ae946d51..c71691248 100644 --- a/database/Amm.dat +++ b/database/Amm.dat @@ -43,8 +43,8 @@ N NO3- 0 N 14.0067 N(+5) NO3- 0 NO3 N(+3) NO2- 0 NO2 N(0) N2 0 N -#N(-3) NH4+ 0 NH4 14.0067 -Amm AmmH+ 0 AmmH 17.031 +#N(-3) NH4+ 0 NH4 14.0067 +Amm AmmH+ 0 AmmH 17.031 B H3BO3 0 B 10.81 P PO4-3 2 P 30.9738 F F- 0 F 18.9984 @@ -62,12 +62,13 @@ Oxg Oxg 0 Oxg 32 # O2 gas Mtg Mtg 0 Mtg 16.032 # CH4 gas Sg H2Sg 0 H2Sg 32.064 # H2S gas Ntg Ntg 0 Ntg 28.0134 # N2 gas + SOLUTION_SPECIES H+ = H+ -gamma 9 0 -viscosity 9.35e-2 -8.31e-2 2.487e-2 4.49e-4 2.01e-2 1.57 # for viscosity parameters see ref. 4 - -dw 9.31e-9 838 16.315 0 2.376 24.01 0 -# Dw(25 C) dw_T a a2 visc a3 a_v_dif + -dw 9.31e-9 838 16.315 0 2.376 24.01 0 +# Dw(25 C) dw_T a a2 visc a3 a_v_dif # Dw(TK) = 9.31e-9 * exp(838 / TK - 838 / 298.15) * viscos_0_25 / viscos_0_tc # a = DH ion size, a2 = exponent, visc = viscosity exponent, a3(H+) = 24.01 = new dw calculation from A.D. 2024, a_v_dif = exponent in (viscos_0_tc / viscos)^a_v_dif @@ -112,7 +113,7 @@ Sr+2 = Sr+2 -gamma 5.26 0.121 -Vm -1.57e-2 -10.15 10.18 -2.36 0.86 5.26 0.859 -27 -4.1e-3 1.97 -viscosity 0.472 -0.252 5.51e-3 3.67e-3 0 1.876 - -dw 0.794e-9 160 0.68 0.767 1e-9 0.912 + -dw 0.794e-9 149 0.805 1.961 1e-9 0.7876 Ba+2 = Ba+2 -gamma 5 0 -gamma 4 0.153 # Barite solubility @@ -159,7 +160,7 @@ AmmH+ = AmmH+ -gamma 2.5 0 -Vm 5.35 2.345 3.72 -2.88 1.55 2.5 -4.54 217 2.344e-2 0.569 -viscosity 9.9e-2 -0.159 1.36e-2 6.51e-3 3.21e-2 0.972 - -dw 1.98e-9 178 3.747 0 1.22 + -dw 1.98e-9 203 1.47 2.644 6.81e-2 H3BO3 = H3BO3 -Vm 7.0643 8.8547 3.5844 -3.1451 -0.2 # supcrt -dw 1.1e-9 @@ -300,19 +301,23 @@ NO3- + 2 H+ + 2 e- = NO2- + H2O -delta_h -312.13 kcal -Vm 7 # Pray et al., 1952, IEC 44 1146 -dw 1.96e-9 -90 # Cadogan et al. 2014, JCED 59, 519 +#NO3- + 10 H+ + 8 e- = AmmH+ + 3 H2O +# -log_k 119.077 +# -delta_h -187.055 kcal +# -gamma 2.5 0 +# -Vm 5.35 2.345 3.72 -2.88 1.55 2.5 -4.54 217 2.344e-2 0.569 +# -viscosity 9.9e-2 -0.159 1.36e-2 6.51e-3 3.21e-2 0.972 +# -dw 1.98e-9 203 1.47 2.644 6.81e-2 AmmH+ = Amm + H+ +#NH4+ = NH3 + H+ -log_k -9.252 -delta_h 12.48 kcal -analytic 0.6322 -0.001225 -2835.76 -Vm 6.69 2.8 3.58 -2.88 1.43 -viscosity 0.08 0 0 7.82e-3 -0.134 -0.986 -dw 2.28e-9 -#NO3- + 10 H+ + 8 e- = AmmH+ + 3 H2O -# -log_k 119.077 -# -delta_h -187.055 kcal -# -gamma 2.5 0 -# -Vm 4.837 2.345 5.522 -2.88 1.096 3 -1.456 75.0 7.17e-3 1 AmmH+ + SO4-2 = AmmHSO4- +#NH4+ + SO4-2 = NH4SO4- -gamma 6.54 -0.08 -log_k 1.106; -delta_h 4.3 kcal -Vm -3.23 0 -68.42 0 -14.27 0 68.51 0 -0.4099 0.2339 @@ -669,7 +674,7 @@ H4SiO4 = H3SiO4- + H+ -delta_h 6.12 kcal -analytic -302.3724 -0.050698 15669.69 108.18466 -1119669 -gamma 4 0 - -Vm 7.94 1.0881 5.3224 -2.824 1.4767 # supcrt H2O in a1 + -Vm 7.94 1.0881 5.3224 -2.824 1.4767 # supcrt + H2O in a1 H4SiO4 = H2SiO4-2 + 2 H+ -log_k -23 -delta_h 17.6 kcal @@ -1236,6 +1241,8 @@ CH4(g) -T_c 190.6; -P_c 45.4; -Omega 0.008 Amm(g) Amm = Amm +#NH3(g) +# NH3 = NH3 -log_k 1.7966 -analytic -18.758 3.367e-4 2.5113e3 4.8619 39.192 -T_c 405.6; -P_c 111.3; -Omega 0.25 @@ -1345,6 +1352,7 @@ EXCHANGE_SPECIES # -gamma 9.0 0 AmmH+ + X- = AmmHX +# NH4+ + X- = NH4X -log_k 0.6 -gamma 2.5 0 -delta_h -2.4 # Laudelout et al., 1968 @@ -1583,7 +1591,6 @@ HCl H+ 1 Cl- 1 H2SO4 H+ 2 SO4-2 1 HBr H+ 1 Br- 1 - RATES ########### @@ -1657,7 +1664,7 @@ K-feldspar 1 REM Sverdrup and Warfvinge, 1995, mol m^-2 s^-1 2 REM PARM(1) = Specific area of Kspar m^2/mol Kspar 3 REM PARM(2) = Adjusts lab rate to field rate -4 REM temp corr: from A&P, p. 162 E (kJ/mol) / R / 2.303 = H in H*(1/T-1/281) +4 REM temp corr: from A&P, p. 162: E (kJ/mol) / R / 2.303 = H in H*(1/T-1/281) 5 REM K-Feldspar parameters 10 DATA 11.7, 0.5, 4e-6, 0.4, 500e-6, 0.15, 14.5, 0.14, 0.15, 13.1, 0.3 20 RESTORE 10 diff --git a/database/phreeqc.dat b/database/phreeqc.dat index c8e0f4c74..04fe478e9 100644 --- a/database/phreeqc.dat +++ b/database/phreeqc.dat @@ -67,8 +67,8 @@ SOLUTION_SPECIES H+ = H+ -gamma 9 0 -viscosity 9.35e-2 -8.31e-2 2.487e-2 4.49e-4 2.01e-2 1.57 # for viscosity parameters see ref. 4 - -dw 9.31e-9 838 16.315 0 2.376 24.01 0 -# Dw(25 C) dw_T a a2 visc a3 a_v_dif + -dw 9.31e-9 838 16.315 0 2.376 24.01 0 +# Dw(25 C) dw_T a a2 visc a3 a_v_dif # Dw(TK) = 9.31e-9 * exp(838 / TK - 838 / 298.15) * viscos_0_25 / viscos_0_tc # a = DH ion size, a2 = exponent, visc = viscosity exponent, a3(H+) = 24.01 = new dw calculation from A.D. 2024, a_v_dif = exponent in (viscos_0_tc / viscos)^a_v_dif @@ -113,7 +113,7 @@ Sr+2 = Sr+2 -gamma 5.26 0.121 -Vm -1.57e-2 -10.15 10.18 -2.36 0.86 5.26 0.859 -27 -4.1e-3 1.97 -viscosity 0.472 -0.252 5.51e-3 3.67e-3 0 1.876 - -dw 0.794e-9 160 0.68 0.767 1e-9 0.912 + -dw 0.794e-9 149 0.805 1.961 1e-9 0.7876 Ba+2 = Ba+2 -gamma 5 0 -gamma 4 0.153 # Barite solubility @@ -156,11 +156,11 @@ NO3- = NO3- -Vm 6.32 6.78 0 -3.06 0.346 0 0.93 0 -0.012 1 -viscosity 8.37e-2 -0.458 1.54e-2 0.34 1.79e-2 5.02e-2 0.7381 -dw 1.9e-9 104 1.11 -#AmmH+ = AmmH+ -# -gamma 2.5 0 -# -Vm 5.35 2.345 3.72 -2.88 1.55 2.5 -4.54 217 2.344e-2 0.569 -# -viscosity 9.9e-2 -0.159 1.36e-2 6.51e-3 3.21e-2 0.972 -# -dw 1.98e-9 178 3.747 0 1.220 +# AmmH+ = AmmH+ +# -gamma 2.5 0 +# -Vm 5.35 2.345 3.72 -2.88 1.55 2.5 -4.54 217 2.344e-2 0.569 +# -viscosity 9.9e-2 -0.159 1.36e-2 6.51e-3 3.21e-2 0.972 +# -dw 1.98e-9 203 1.47 2.644 6.81e-2 H3BO3 = H3BO3 -Vm 7.0643 8.8547 3.5844 -3.1451 -0.2 # supcrt -dw 1.1e-9 @@ -307,8 +307,7 @@ NO3- + 10 H+ + 8 e- = NH4+ + 3 H2O -gamma 2.5 0 -Vm 5.35 2.345 3.72 -2.88 1.55 2.5 -4.54 217 2.344e-2 0.569 -viscosity 9.9e-2 -0.159 1.36e-2 6.51e-3 3.21e-2 0.972 - -dw 1.98e-9 178 3.747 0 1.22 - + -dw 1.98e-9 203 1.47 2.644 6.81e-2 #AmmH+ = Amm + H+ NH4+ = NH3 + H+ -log_k -9.252 @@ -317,11 +316,6 @@ NH4+ = NH3 + H+ -Vm 6.69 2.8 3.58 -2.88 1.43 -viscosity 0.08 0 0 7.82e-3 -0.134 -0.986 -dw 2.28e-9 -#NO3- + 10 H+ + 8 e- = AmmH+ + 3 H2O -# -log_k 119.077 -# -delta_h -187.055 kcal -# -gamma 2.5 0 -# -Vm 4.837 2.345 5.522 -2.88 1.096 3 -1.456 75.0 7.17e-3 1 #AmmH+ + SO4-2 = AmmHSO4- NH4+ + SO4-2 = NH4SO4- -gamma 6.54 -0.08 @@ -680,7 +674,7 @@ H4SiO4 = H3SiO4- + H+ -delta_h 6.12 kcal -analytic -302.3724 -0.050698 15669.69 108.18466 -1119669 -gamma 4 0 - -Vm 7.94 1.0881 5.3224 -2.824 1.4767 # supcrt H2O in a1 + -Vm 7.94 1.0881 5.3224 -2.824 1.4767 # supcrt + H2O in a1 H4SiO4 = H2SiO4-2 + 2 H+ -log_k -23 -delta_h 17.6 kcal @@ -1670,7 +1664,7 @@ K-feldspar 1 REM Sverdrup and Warfvinge, 1995, mol m^-2 s^-1 2 REM PARM(1) = Specific area of Kspar m^2/mol Kspar 3 REM PARM(2) = Adjusts lab rate to field rate -4 REM temp corr: from A&P, p. 162 E (kJ/mol) / R / 2.303 = H in H*(1/T-1/281) +4 REM temp corr: from A&P, p. 162: E (kJ/mol) / R / 2.303 = H in H*(1/T-1/281) 5 REM K-Feldspar parameters 10 DATA 11.7, 0.5, 4e-6, 0.4, 500e-6, 0.15, 14.5, 0.14, 0.15, 13.1, 0.3 20 RESTORE 10 diff --git a/database/phreeqc_rates.dat b/database/phreeqc_rates.dat index d11dd8707..3909b9257 100644 --- a/database/phreeqc_rates.dat +++ b/database/phreeqc_rates.dat @@ -44,7 +44,7 @@ N(+5) NO3- 0 N N(+3) NO2- 0 N N(0) N2 0 N N(-3) NH4+ 0 N 14.0067 -#Amm AmmH+ 0 AmmH 17.031 +#Amm AmmH+ 0 AmmH 17.031 B H3BO3 0 B 10.81 P PO4-3 2 P 30.9738 F F- 0 F 18.9984 @@ -67,8 +67,8 @@ SOLUTION_SPECIES H+ = H+ -gamma 9 0 -viscosity 9.35e-2 -8.31e-2 2.487e-2 4.49e-4 2.01e-2 1.57 # for viscosity parameters see ref. 4 - -dw 9.31e-9 838 16.315 0 2.376 24.01 0 -# Dw(25 C) dw_T a a2 visc a3 a_v_dif + -dw 9.31e-9 838 16.315 0 2.376 24.01 0 +# Dw(25 C) dw_T a a2 visc a3 a_v_dif # Dw(TK) = 9.31e-9 * exp(838 / TK - 838 / 298.15) * viscos_0_25 / viscos_0_tc # a = DH ion size, a2 = exponent, visc = viscosity exponent, a3(H+) = 24.01 = new dw calculation from A.D. 2024, a_v_dif = exponent in (viscos_0_tc / viscos)^a_v_dif @@ -113,7 +113,7 @@ Sr+2 = Sr+2 -gamma 5.26 0.121 -Vm -1.57e-2 -10.15 10.18 -2.36 0.86 5.26 0.859 -27 -4.1e-3 1.97 -viscosity 0.472 -0.252 5.51e-3 3.67e-3 0 1.876 - -dw 0.794e-9 160 0.68 0.767 1e-9 0.912 + -dw 0.794e-9 149 0.805 1.961 1e-9 0.7876 Ba+2 = Ba+2 -gamma 5 0 -gamma 4 0.153 # Barite solubility @@ -156,11 +156,11 @@ NO3- = NO3- -Vm 6.32 6.78 0 -3.06 0.346 0 0.93 0 -0.012 1 -viscosity 8.37e-2 -0.458 1.54e-2 0.34 1.79e-2 5.02e-2 0.7381 -dw 1.9e-9 104 1.11 -#AmmH+ = AmmH+ -# -gamma 2.5 0 -# -Vm 5.35 2.345 3.72 -2.88 1.55 2.5 -4.54 217 2.344e-2 0.569 -# -viscosity 9.9e-2 -0.159 1.36e-2 6.51e-3 3.21e-2 0.972 -# -dw 1.98e-9 178 3.747 0 1.220 +# AmmH+ = AmmH+ + # -gamma 2.50 + # -Vm 5.35 2.345 3.72 -2.88 1.55 2.5 -4.54 217 2.344e-2 0.569 + # -viscosity 9.9e-2 -0.159 1.36e-2 6.51e-3 3.21e-2 0.972 + # -dw 1.98e-9 203 1.47 2.644 6.81e-2 H3BO3 = H3BO3 -Vm 7.0643 8.8547 3.5844 -3.1451 -0.2 # supcrt -dw 1.1e-9 @@ -203,7 +203,7 @@ Mtg = Mtg # CH4 -Vm 9.01 -1.11 0 -1.85 -1.5 # Hnedkovsky et al., 1996, JCT 28, 125 -dw 1.85e-9 Ntg = Ntg # N2 - -Vm 7 # Pray et al., 1952, IEC 44 1146 + -Vm 7 # Pray et al., 1952, IEC 44, 1146 -dw 1.96e-9 -90 # Cadogan et al. 2014, JCED 59, 519 H2Sg = H2Sg # H2S -Vm 1.39 28.3 0 -7.22 -0.59 # Hnedkovsky et al., 1996, JCT 28, 125 @@ -307,8 +307,7 @@ NO3- + 10 H+ + 8 e- = NH4+ + 3 H2O -gamma 2.5 0 -Vm 5.35 2.345 3.72 -2.88 1.55 2.5 -4.54 217 2.344e-2 0.569 -viscosity 9.9e-2 -0.159 1.36e-2 6.51e-3 3.21e-2 0.972 - -dw 1.98e-9 178 3.747 0 1.22 - + -dw 1.98e-9 203 1.47 2.644 6.81e-2 #AmmH+ = Amm + H+ NH4+ = NH3 + H+ -log_k -9.252 @@ -317,11 +316,6 @@ NH4+ = NH3 + H+ -Vm 6.69 2.8 3.58 -2.88 1.43 -viscosity 0.08 0 0 7.82e-3 -0.134 -0.986 -dw 2.28e-9 -#NO3- + 10 H+ + 8 e- = AmmH+ + 3 H2O -# -log_k 119.077 -# -delta_h -187.055 kcal -# -gamma 2.5 0 -# -Vm 4.837 2.345 5.522 -2.88 1.096 3 -1.456 75.0 7.17e-3 1 #AmmH+ + SO4-2 = AmmHSO4- NH4+ + SO4-2 = NH4SO4- -gamma 6.54 -0.08 @@ -1248,7 +1242,7 @@ CH4(g) #Amm(g) # Amm = Amm NH3(g) - NH3 = NH3 + NH3 = NH3 -log_k 1.7966 -analytic -18.758 3.367e-4 2.5113e3 4.8619 39.192 -T_c 405.6; -P_c 111.3; -Omega 0.25 @@ -1575,27 +1569,27 @@ SURFACE_SPECIES Hfo_wOH + H4SiO4 = Hfo_wHSiO4-2 + 2 H+ + H2O; log_K -11.69 MEAN_GAMMAS -CaCl2 Ca+2 1 Cl- 2 -CaSO4 Ca+2 1 SO4-2 1 -CaCO3 Ca+2 1 CO3-2 1 -Ca(OH)2 Ca+2 1 OH- 2 -MgCl2 Mg+2 1 Cl- 2 -MgSO4 Mg+2 1 SO4-2 1 -MgCO3 Mg+2 1 CO3-2 1 -Mg(OH)2 Mg+2 1 OH- 2 -NaCl Na+ 1 Cl- 1 -Na2SO4 Na+ 2 SO4-2 1 -NaHCO3 Na+ 1 HCO3- 1 -Na2CO3 Na+ 2 CO3-2 1 -NaOH Na+ 1 OH- 1 -KCl K+ 1 Cl- 1 -K2SO4 K+ 2 SO4-2 1 -HCO3 K+ 1 HCO3- 1 -K2CO3 K+ 2 CO3-2 1 -KOH K+ 1 OH- 1 -HCl H+ 1 Cl- 1 -H2SO4 H+ 2 SO4-2 1 -HBr H+ 1 Br- 1 +CaCl2 Ca+2 1 Cl- 2 +CaSO4 Ca+2 1 SO4-2 1 +CaCO3 Ca+2 1 CO3-2 1 +Ca(OH)2 Ca+2 1 OH- 2 +MgCl2 Mg+2 1 Cl- 2 +MgSO4 Mg+2 1 SO4-2 1 +MgCO3 Mg+2 1 CO3-2 1 +Mg(OH)2 Mg+2 1 OH- 2 +NaCl Na+ 1 Cl- 1 +Na2SO4 Na+ 2 SO4-2 1 +NaHCO3 Na+ 1 HCO3- 1 +Na2CO3 Na+ 2 CO3-2 1 +NaOH Na+ 1 OH- 1 +KCl K+ 1 Cl- 1 +K2SO4 K+ 2 SO4-2 1 +HCO3 K+ 1 HCO3- 1 +K2CO3 K+ 2 CO3-2 1 +KOH K+ 1 OH- 1 +HCl H+ 1 Cl- 1 +H2SO4 H+ 2 SO4-2 1 +HBr H+ 1 Br- 1 RATES @@ -1670,7 +1664,7 @@ K-feldspar 1 REM Sverdrup and Warfvinge, 1995, mol m^-2 s^-1 2 REM PARM(1) = Specific area of Kspar m^2/mol Kspar 3 REM PARM(2) = Adjusts lab rate to field rate -4 REM temp corr: from A&P, p. 162 E (kJ/mol) / R / 2.303 = H in H*(1/T-1/281) +4 REM temp corr: from A&P, p. 162: E (kJ/mol) / R / 2.303 = H in H*(1/T-1/281) 5 REM K-Feldspar parameters 10 DATA 11.7, 0.5, 4e-6, 0.4, 500e-6, 0.15, 14.5, 0.14, 0.15, 13.1, 0.3 20 RESTORE 10 @@ -2524,7 +2518,7 @@ Labradorite -7.87 42.1 0.626 -10.91 45.2 -30 0 0 Bytownite -5.85 29.3 1.018 -9.82 31.5 -30 0 0 Anorthite -3.5 16.6 1.411 -9.12 17.8 -30 0 0 # -K-feldspar -10.06 51.7 0.5 -12.41 38 -21.2 94.1 -0.823 # Table 14 +K-feldspar -10.06 51.7 0.5 -12.41 38 -21.2 94.1 -0.823 # Table 15 # Nepheline -2.73 62.9 1.13 -8.56 65.4 -10.76 37.8 -0.2 # Table 18 Leucite -6 132.2 0.7 -9.2 75.5 -10.66 56.6 -0.2 @@ -2902,48 +2896,39 @@ Wollastonite -6.97 700 56 0.4 0 0 # END # RATES -# Quartz_Rimstidt_Barnes -# #1 rem Specific rate k = 10^-13.7 mol/m2/s (25 C), Ea = 90 kJ/mol, Rimstidt and Barnes, 1980, GCA 44, 1683 +# Quartz_Rimstidt +# #1 rem Specific rate k = 10^-13.34 mol/m2/s (25 C), Ea = 74 kJ/mol, Rimstidt, 2015, GCA 167, 195 # 5 REM PARMS: 1 affinity, 2 m^2/mol, 3 roughness, 4 exponent # 10 if parm(1) = 1 then affinity = 1 else affinity = 1 - SR("Quartz") : if affinity < parm(1) then SAVE 0 : END -# 20 rate = 10^-(13.7 + 4700 * (1 / 298 - 1 / TK)) * (1 + 1500*tot("Na")) # salt correction, Dove and Rimstidt, MSA Rev. 29, 259 +# 20 rate = 10^-(13.3 + 4700 * (1 / 298 - 1 / TK)) * (1 + 1500*tot("Na")) # salt correction, Dove and Rimstidt, 1994, MSA Rev. 29, 259 +# 20 rate = 10^-(13.3 + 4700 * (1 / 298 - 1 / TK)) + 11.2e3 * act("Na+")^0.33 * act("OH-")^0.44 * exp(-71.6/(8.314e-3 * TK)) # salt correction, Rimstidt, 2015, GCA 167, 195 # 30 IF M > 0 THEN area = M * parm(2) * parm(3) * (M/M0)^parm(4) ELSE area = 0 # 40 SAVE area * rate * affinity * TIME # -end # USE solution 1 # KINETICS 1 -# Quartz_Rimstidt_Barnes +# Quartz_Rimstidt # -formula SiO2 # -parms 0 6 1 0.67 # -time 0.1 10*1 year # USER_GRAPH 3 -# -headings H Rimstidt.et.al +# -headings H Rimstidt # END # SOLUTION 1 -# pH 7 charge; Na 30; Cl 30 -# KINETICS 1 -# Quartz_Svd -# -formula SiO2 -# -parms 0 6 1 0.67 -# -time 0.1 10*1 year -# USER_GRAPH 3 -# -headings H Sverdup_NaCl -# END - -# USE solution 1 +# pH 7 charge; Na 1; Cl 1 # KINETICS 1 -# Quartz_Rimstidt_Barnes +# Quartz_Rimstidt # -formula SiO2 # -parms 0 6 1 0.67 # -time 0.1 10*1 year # USER_GRAPH 3 -# -headings H Rimstidt.et.al._NaCl +# -headings H Rimstidt_1.mM.NaCl # END # # Example input file for calculating kinetic dissolution of Montmorillonite, -# # a solid solution with exchangeable cations reacting fast +# # a solid solution with exchangeable cations reacting fast; # # their ratios are related to the changing solution composition, # # and their amounts are connected to the kinetic reacting TOT layer. # # @@ -2982,7 +2967,7 @@ Wollastonite -6.97 700 56 0.4 0 0 # EXCHANGE_MASTER_SPECIES # X_montm_mg X_montm_mg-0.34 # EXCHANGE_SPECIES -# # The Gapon formulation is easiest... +# # The Gapon formulation is easiest, with constants from Montmorillonite(Mg..) in PHASES # X_montm_mg-0.34 = X_montm_mg-0.34 # 0.34 Na+ + X_montm_mg-0.34 = Na0.34X_montm_mg; log_k -3.411 # 0 # # 0.34 K+ + X_montm_mg-0.34 = K0.34X_montm_mg; log_k -2.83 # 0.581 # @@ -2991,13 +2976,13 @@ Wollastonite -6.97 700 56 0.4 0 0 # # # The divalent cations have rather low log_k, cf. A&P, p.254, log_k Ca0.5X ~ log_k KX # # # uncomment the following lines to see the effect... -# # 0.17 Mg+2 + X_montm_mg-0.34 = Mg0.17X_montm_mg; log_k -2.73 +# # 0.17 Mg+2 + X_montm_mg-0.34 = Mg0.17X_montm_mg; log_k -2.86 # # 0.17 Ca+2 + X_montm_mg-0.34 = Ca0.17X_montm_mg; log_k -2.83 # # # also adapt the log_k`s of the solids... # # PHASES # # Montmorillonite(MgMg) # # Mg0.17Mg0.34Al1.66Si4O10(OH)2 + 6H+ + 4H2O = 1.660Al+3 + 0.510Mg+2 + 4H4SiO4 - # # log_k 2.73 + # # log_k 2.86 # # Montmorillonite(MgCa) # # Ca0.17Mg0.34Al1.66Si4O10(OH)2 + 6H+ + 4H2O = 1.660Al+3 + 0.170Ca+2 + 0.340Mg+2 + 4H4SiO4 # # log_k 2.83 @@ -3008,8 +2993,8 @@ Wollastonite -6.97 700 56 0.4 0 0 # # 0.17 Mg+2 + X_montm_mg-0.34 = Mg0.17X_montm_mg; log_k -3.708e10 # # 0.17 Ca+2 + X_montm_mg-0.34 = Ca0.17X_montm_mg; log_k -4.222e10 # # # write the Gaines-Thomas formulas... -# # 0.34 Mg+2 + 2 X_montm_mg-0.34 = Mg0.34X_montm_mg2 ; log_k -7.416 # -0.297 # -# # 0.34 Ca+2 + 2 X_montm_mg-0.34 = Ca0.34X_montm_mg2 ; log_k -8.444 # -0.811 # +# # 0.34 Mg+2 + 2 X_montm_mg-0.34 = Mg0.34X_montm_mg2 ; log_k -7.416 # -0.297 # +# # 0.34 Ca+2 + 2 X_montm_mg-0.34 = Ca0.34X_montm_mg2 ; log_k -8.444 # -0.811 # # # # The default exchanger X can be used, uncomment the follwing lines # # # redefine f_Na in the rate... @@ -3021,7 +3006,7 @@ Wollastonite -6.97 700 56 0.4 0 0 # # 20 rate = RATE_HERMANSKA("Montmorillonite") / f_Na # # 30 IF M > 0 THEN area = M * parm(2) * parm(3) * (M/M0)^parm(4) ELSE area = 0 # # 40 SAVE area * rate * affinity * TIME -# # -end +# # -end # # # adapt log_k`s of the solids with default exchanger X: # # PHASES # # Montmorillonite(MgK) diff --git a/database/pitzer.dat b/database/pitzer.dat index c77909a78..0f7579f9f 100644 --- a/database/pitzer.dat +++ b/database/pitzer.dat @@ -40,8 +40,8 @@ Ntg Ntg 0 Ntg 28.0134 # N2 gas SOLUTION_SPECIES H+ = H+ -viscosity 9.35e-2 -8.31e-2 2.487e-2 4.49e-4 2.01e-2 1.57 # for viscosity parameters see ref. 4 - -dw 9.31e-9 823 5.55 0 3.07 24.01 0 -# Dw(25 C) dw_T a a2 visc a3 a_v_dif + -dw 9.31e-9 823 5.55 0 3.07 24.01 0 +# Dw(25 C) dw_T a a2 visc a3 a_v_dif # Dw(TK) = 9.31e-9 * exp(823 / TK - 823 / 298.15) * viscos_0_25 / viscos_0_tc # a = DH ion size, a2 = exponent, visc = viscosity exponent, a3(H+) = 24.01 = new dw calculation from A.D. 2024, a_v_dif = exponent in (viscos_0_tc / viscos)^a_v_dif @@ -79,7 +79,7 @@ Ca+2 = Ca+2 Sr+2 = Sr+2 -Vm -1.57e-2 -10.15 10.18 -2.36 0.86 5.26 0.859 -27 -4.1e-3 1.97 -viscosity 0.472 -0.252 5.51e-3 3.67e-3 0 1.876 - -dw 0.794e-9 160 0.68 0.767 1e-9 0.912 + -dw 0.794e-9 149 0.805 1.961 1e-9 0.7876 Ba+2 = Ba+2 -Vm 2.063 -10.06 1.9534 -2.36 0.4218 5 1.58 -12.03 -8.35e-3 1 -viscosity 0.338 -0.227 1.39e-2 3.07e-2 0 0.768 @@ -195,7 +195,7 @@ Mg+2 + CO3-2 = MgCO3 H4SiO4 = H3SiO4- + H+ -log_k -9.83; -delta_h 6.12 kcal -analytic -302.3724 -0.050698 15669.69 108.18466 -1119669 - -Vm 7.94 1.0881 5.3224 -2.824 1.4767 # supcrt H2O in a1 + -Vm 7.94 1.0881 5.3224 -2.824 1.4767 # supcrt + H2O in a1 H4SiO4 = H2SiO4-2 + 2 H+ -log_k -23; -delta_h 17.6 kcal -analytic -294.0184 -0.07265 11204.49 108.18466 -1119669 @@ -515,277 +515,277 @@ H2Sg(g) T_c 373.2; -P_c 88.2; -Omega 0.1 PITZER -B0 - B(OH)4- K+ 0.035 - B(OH)4- Na+ -0.0427 - B3O3(OH)4- K+ -0.13 - B3O3(OH)4- Na+ -0.056 - B4O5(OH)4-2 K+ -0.022 - B4O5(OH)4-2 Na+ -0.11 - Ba+2 Br- 0.31455 0 0 -0.33825E-3 - Ba+2 Cl- 0.5268 0 0 0 0 4.75e4 # ref. 3 - Ba+2 OH- 0.17175 - Br- H+ 0.196 0 0 -2.049E-4 - Br- K+ 0.0569 0 0 7.39E-4 - Br- Li+ 0.1748 0 0 -1.819E-4 - Br- Mg+2 0.4327 0 0 -5.625E-5 - Br- Na+ 0.0973 0 0 7.692E-4 - Br- Sr+2 0.331125 0 0 -0.32775E-3 - Ca+2 Br- 0.3816 0 0 -5.2275E-4 - Ca+2 Cl- 0.3159 0 0 -3.27e-4 1.4e-7 # ref. 3 - Ca+2 HCO3- 0.4 - Ca+2 HSO4- 0.2145 - Ca+2 OH- -0.1747 - Ca+2 SO4-2 0 # ref. 3 - CaB(OH)4+ Cl- 0.12 - Cl- Fe+2 0.335925 - Cl- H+ 0.1775 0 0 -3.081E-4 - Cl- K+ 0.04808 -758.48 -4.7062 0.010072 -3.7599e-6 # ref. 3 - Cl- Li+ 0.1494 0 0 -1.685E-4 - Cl- Mg+2 0.351 0 0 -9.32e-4 5.94e-7 # ref. 3 - Cl- MgB(OH)4+ 0.16 - Cl- MgOH+ -0.1 - Cl- Mn+2 0.327225 - Cl- Na+ 7.534e-2 9598.4 35.48 -5.8731e-2 1.798e-5 -5e5 # ref. 3 - Cl- Sr+2 0.2858 0 0 0.717E-3 - CO3-2 K+ 0.1488 0 0 1.788E-3 - CO3-2 Na+ 0.0399 0 0 1.79E-3 - Fe+2 HSO4- 0.4273 - Fe+2 SO4-2 0.2568 - H+ HSO4- 0.2065 - H+ SO4-2 0.0298 - HCO3- K+ 0.0296 0 0 0.996E-3 - HCO3- Mg+2 0.329 - HCO3- Na+ -0.018 # ref. 3 new -analytic for calcite - HCO3- Sr+2 0.12 - HSO4- K+ -0.0003 - HSO4- Mg+2 0.4746 - HSO4- Na+ 0.0454 - K+ OH- 0.1298 - K+ SO4-2 3.17e-2 0 0 9.28e-4 # ref. 3 - Li+ OH- 0.015 - Li+ SO4-2 0.136275 0 0 0.5055E-3 - Mg+2 SO4-2 0.2135 -951 0 -2.34e-2 2.28e-5 # ref. 3 - Mn+2 SO4-2 0.2065 - Na+ OH- 0.0864 0 0 7E-4 - Na+ SO4-2 2.73e-2 0 -5.8 9.89e-3 0 -1.563e5 # ref. 3 - SO4-2 Sr+2 0.2 0 0 -2.9E-3 + B(OH)4- K+ 0.035 + B(OH)4- Na+ -0.0427 + B3O3(OH)4- K+ -0.13 + B3O3(OH)4- Na+ -0.056 + B4O5(OH)4-2 K+ -0.022 + B4O5(OH)4-2 Na+ -0.11 + Ba+2 Br- 0.31455 0 0 -0.33825E-3 + Ba+2 Cl- 0.5268 0 0 0 0 4.75e4 # ref. 3 + Ba+2 OH- 0.17175 + Br- H+ 0.196 0 0 -2.049E-4 + Br- K+ 0.0569 0 0 7.39E-4 + Br- Li+ 0.1748 0 0 -1.819E-4 + Br- Mg+2 0.4327 0 0 -5.625E-5 + Br- Na+ 0.0973 0 0 7.692E-4 + Br- Sr+2 0.331125 0 0 -0.32775E-3 + Ca+2 Br- 0.3816 0 0 -5.2275E-4 + Ca+2 Cl- 0.3159 0 0 -3.27e-4 1.4e-7 # ref. 3 + Ca+2 HCO3- 0.4 + Ca+2 HSO4- 0.2145 + Ca+2 OH- -0.1747 + Ca+2 SO4-2 0 # ref. 3 + CaB(OH)4+ Cl- 0.12 + Cl- Fe+2 0.335925 + Cl- H+ 0.1775 0 0 -3.081E-4 + Cl- K+ 0.04808 -758.48 -4.7062 0.010072 -3.7599e-6 # ref. 3 + Cl- Li+ 0.1494 0 0 -1.685E-4 + Cl- Mg+2 0.351 0 0 -9.32e-4 5.94e-7 # ref. 3 + Cl- MgB(OH)4+ 0.16 + Cl- MgOH+ -0.1 + Cl- Mn+2 0.327225 + Cl- Na+ 7.534e-2 9598.4 35.48 -5.8731e-2 1.798e-5 -5e5 # ref. 3 + Cl- Sr+2 0.2858 0 0 0.717E-3 + CO3-2 K+ 0.1488 0 0 1.788E-3 + CO3-2 Na+ 0.0399 0 0 1.79E-3 + Fe+2 HSO4- 0.4273 + Fe+2 SO4-2 0.2568 + H+ HSO4- 0.2065 + H+ SO4-2 0.0298 + HCO3- K+ 0.0296 0 0 0.996E-3 + HCO3- Mg+2 0.329 + HCO3- Na+ -0.018 # ref. 3 + new -analytic for calcite + HCO3- Sr+2 0.12 + HSO4- K+ -0.0003 + HSO4- Mg+2 0.4746 + HSO4- Na+ 0.0454 + K+ OH- 0.1298 + K+ SO4-2 3.17e-2 0 0 9.28e-4 # ref. 3 + Li+ OH- 0.015 + Li+ SO4-2 0.136275 0 0 0.5055E-3 + Mg+2 SO4-2 0.2135 -951 0 -2.34e-2 2.28e-5 # ref. 3 + Mn+2 SO4-2 0.2065 + Na+ OH- 0.0864 0 0 7E-4 + Na+ SO4-2 2.73e-2 0 -5.8 9.89e-3 0 -1.563e5 # ref. 3 + SO4-2 Sr+2 0.2 0 0 -2.9E-3 -B1 - B(OH)4- K+ 0.14 - B(OH)4- Na+ 0.089 - B3O3(OH)4- Na+ -0.91 - B4O5(OH)4-2 Na+ -0.4 - Ba+2 Br- 1.56975 0 0 6.78E-3 - Ba+2 Cl- 0.687 0 0 1.417e-2 # ref. 3 - Ba+2 OH- 1.2 - Br- H+ 0.3564 0 0 4.467E-4 - Br- K+ 0.2212 0 0 17.4E-4 - Br- Li+ 0.2547 0 0 6.636E-4 - Br- Mg+2 1.753 0 0 3.8625E-3 - Br- Na+ 0.2791 0 0 10.79E-4 - Br- Sr+2 1.7115 0 0 6.5325E-3 - Ca+2 Br- 1.613 0 0 6.0375E-3 - Ca+2 Cl- 1.614 0 0 7.63e-3 -8.19e-7 # ref. 3 - Ca+2 HCO3- 2.977 # ref. 3 new -analytic for calcite - Ca+2 HSO4- 2.53 - Ca+2 OH- -0.2303 - Ca+2 SO4-2 3.546 0 0 5.77e-3 # ref. 3 - Cl- Fe+2 1.53225 - Cl- H+ 0.2945 0 0 1.419E-4 - Cl- K+ 0.2168 0 -6.895 2.262e-2 -9.293e-6 -1e5 # ref. 3 - Cl- Li+ 0.3074 0 0 5.366E-4 - Cl- Mg+2 1.65 0 0 -1.09e-2 2.6e-5 # ref. 3 - Cl- MgOH+ 1.658 - Cl- Mn+2 1.55025 - Cl- Na+ 0.2769 1.377e4 46.8 -6.9512e-2 2e-5 -7.4823e5 # ref. 3 - Cl- Sr+2 1.667 0 0 2.8425E-3 - CO3-2 K+ 1.43 0 0 2.051E-3 - CO3-2 Na+ 1.389 0 0 2.05E-3 - Fe+2 HSO4- 3.48 - Fe+2 SO4-2 3.063 - H+ HSO4- 0.5556 - HCO3- K+ 0.25 0 0 1.104E-3 # ref. 3 - HCO3- Mg+2 0.6072 - HCO3- Na+ 0 # ref. 3 new -analytic for calcite - HSO4- K+ 0.1735 - HSO4- Mg+2 1.729 - HSO4- Na+ 0.398 - K+ OH- 0.32 - K+ SO4-2 0.756 -1.514e4 -80.3 0.1091 # ref. 3 - Li+ OH- 0.14 - Li+ SO4-2 1.2705 0 0 1.41E-3 - Mg+2 SO4-2 3.367 -5.78e3 0 -1.48e-1 1.576e-4 # ref. 3 - Mn+2 SO4-2 2.9511 - Na+ OH- 0.253 0 0 1.34E-4 - Na+ SO4-2 0.956 2.663e3 0 1.158e-2 0 -3.194e5 # ref. 3 - SO4-2 Sr+2 3.1973 0 0 27e-3 + B(OH)4- K+ 0.14 + B(OH)4- Na+ 0.089 + B3O3(OH)4- Na+ -0.91 + B4O5(OH)4-2 Na+ -0.4 + Ba+2 Br- 1.56975 0 0 6.78E-3 + Ba+2 Cl- 0.687 0 0 1.417e-2 # ref. 3 + Ba+2 OH- 1.2 + Br- H+ 0.3564 0 0 4.467E-4 + Br- K+ 0.2212 0 0 17.4E-4 + Br- Li+ 0.2547 0 0 6.636E-4 + Br- Mg+2 1.753 0 0 3.8625E-3 + Br- Na+ 0.2791 0 0 10.79E-4 + Br- Sr+2 1.7115 0 0 6.5325E-3 + Ca+2 Br- 1.613 0 0 6.0375E-3 + Ca+2 Cl- 1.614 0 0 7.63e-3 -8.19e-7 # ref. 3 + Ca+2 HCO3- 2.977 # ref. 3 + new -analytic for calcite + Ca+2 HSO4- 2.53 + Ca+2 OH- -0.2303 + Ca+2 SO4-2 3.546 0 0 5.77e-3 # ref. 3 + Cl- Fe+2 1.53225 + Cl- H+ 0.2945 0 0 1.419E-4 + Cl- K+ 0.2168 0 -6.895 2.262e-2 -9.293e-6 -1e5 # ref. 3 + Cl- Li+ 0.3074 0 0 5.366E-4 + Cl- Mg+2 1.65 0 0 -1.09e-2 2.6e-5 # ref. 3 + Cl- MgOH+ 1.658 + Cl- Mn+2 1.55025 + Cl- Na+ 0.2769 1.377e4 46.8 -6.9512e-2 2e-5 -7.4823e5 # ref. 3 + Cl- Sr+2 1.667 0 0 2.8425E-3 + CO3-2 K+ 1.43 0 0 2.051E-3 + CO3-2 Na+ 1.389 0 0 2.05E-3 + Fe+2 HSO4- 3.48 + Fe+2 SO4-2 3.063 + H+ HSO4- 0.5556 + HCO3- K+ 0.25 0 0 1.104E-3 # ref. 3 + HCO3- Mg+2 0.6072 + HCO3- Na+ 0 # ref. 3 + new -analytic for calcite + HSO4- K+ 0.1735 + HSO4- Mg+2 1.729 + HSO4- Na+ 0.398 + K+ OH- 0.32 + K+ SO4-2 0.756 -1.514e4 -80.3 0.1091 # ref. 3 + Li+ OH- 0.14 + Li+ SO4-2 1.2705 0 0 1.41E-3 + Mg+2 SO4-2 3.367 -5.78e3 0 -1.48e-1 1.576e-4 # ref. 3 + Mn+2 SO4-2 2.9511 + Na+ OH- 0.253 0 0 1.34E-4 + Na+ SO4-2 0.956 2.663e3 0 1.158e-2 0 -3.194e5 # ref. 3 + SO4-2 Sr+2 3.1973 0 0 27e-3 -B2 - Ca+2 Cl- -1.13 0 0 -0.0476 # ref. 3 - Ca+2 OH- -5.72 - Ca+2 SO4-2 -59.3 0 0 -0.443 -3.96e-6 # ref. 3 - Fe+2 SO4-2 -42 - HCO3- Na+ 8.22 0 0 -0.049 # ref. 3 new -analytic for calcite - Mg+2 SO4-2 -32.45 0 -3.236e3 21.812 -1.8859e-2 # ref. 3 - Mn+2 SO4-2 -40 - SO4-2 Sr+2 -54.24 0 0 -0.42 + Ca+2 Cl- -1.13 0 0 -0.0476 # ref. 3 + Ca+2 OH- -5.72 + Ca+2 SO4-2 -59.3 0 0 -0.443 -3.96e-6 # ref. 3 + Fe+2 SO4-2 -42 + HCO3- Na+ 8.22 0 0 -0.049 # ref. 3 + new -analytic for calcite + Mg+2 SO4-2 -32.45 0 -3.236e3 21.812 -1.8859e-2 # ref. 3 + Mn+2 SO4-2 -40.0 + SO4-2 Sr+2 -54.24 0 0 -0.42 -C0 - B(OH)4- Na+ 0.0114 - Ba+2 Br- -0.0159576 - Ba+2 Cl- -0.143 -114.5 # ref. 3 - Br- Ca+2 -0.00257 - Br- H+ 0.00827 0 0 -5.685E-5 - Br- K+ -0.0018 0 0 -7.004E-5 - Br- Li+ 0.0053 0 0 -2.813E-5 - Br- Mg+2 0.00312 - Br- Na+ 0.00116 0 0 -9.3E-5 - Br- Sr+2 0.00122506 - Ca+2 Cl- 1.4e-4 -57 -0.098 -7.83e-4 7.18e-7 # ref. 3 - Ca+2 SO4-2 0.114 # ref. 3 - Cl- Fe+2 -0.00860725 - Cl- H+ 0.0008 0 0 6.213E-5 - Cl- K+ -7.88e-4 91.27 0.58643 -1.298e-3 4.9567e-7 # ref. 3 - Cl- Li+ 0.00359 0 0 -4.52E-5 - Cl- Mg+2 0.00651 0 0 -2.5e-4 2.418e-7 # ref. 3 - Cl- Mn+2 -0.0204972 - Cl- Na+ 1.48e-3 -120.5 -0.2081 0 1.166e-7 11121 # ref. 3 - Cl- Sr+2 -0.0013 - CO3-2 K+ -0.0015 - CO3-2 Na+ 0.0044 - Fe+2 SO4-2 0.0209 - H+ SO4-2 0.0438 - HCO3- K+ -0.008 - K+ OH- 0.0041 - K+ SO4-2 8.18e-3 -625 -3.3 4.06e-3 # ref. 3 - Li+ SO4-2 -0.00399338 0 0 -2.33345e-4 - Mg+2 SO4-2 2.875e-2 0 -2.084 1.1428e-2 -8.228e-6 # ref. 3 - Mn+2 SO4-2 0.01636 - Na+ OH- 0.0044 0 0 -18.94E-5 - Na+ SO4-2 3.418e-3 -384 0 -8.451e-4 0 5.177e4 # ref. 3 + B(OH)4- Na+ 0.0114 + Ba+2 Br- -0.0159576 + Ba+2 Cl- -0.143 -114.5 # ref. 3 + Br- Ca+2 -0.00257 + Br- H+ 0.00827 0 0 -5.685E-5 + Br- K+ -0.0018 0 0 -7.004E-5 + Br- Li+ 0.0053 0 0 -2.813E-5 + Br- Mg+2 0.00312 + Br- Na+ 0.00116 0 0 -9.3E-5 + Br- Sr+2 0.00122506 + Ca+2 Cl- 1.4e-4 -57 -0.098 -7.83e-4 7.18e-7 # ref. 3 + Ca+2 SO4-2 0.114 # ref. 3 + Cl- Fe+2 -0.00860725 + Cl- H+ 0.0008 0 0 6.213E-5 + Cl- K+ -7.88e-4 91.27 0.58643 -1.298e-3 4.9567e-7 # ref. 3 + Cl- Li+ 0.00359 0 0 -4.52E-5 + Cl- Mg+2 0.00651 0 0 -2.5e-4 2.418e-7 # ref. 3 + Cl- Mn+2 -0.0204972 + Cl- Na+ 1.48e-3 -120.5 -0.2081 0 1.166e-7 11121 # ref. 3 + Cl- Sr+2 -0.0013 + CO3-2 K+ -0.0015 + CO3-2 Na+ 0.0044 + Fe+2 SO4-2 0.0209 + H+ SO4-2 0.0438 + HCO3- K+ -0.008 + K+ OH- 0.0041 + K+ SO4-2 8.18e-3 -625 -3.3 4.06e-3 # ref. 3 + Li+ SO4-2 -0.00399338 0 0 -2.33345e-4 + Mg+2 SO4-2 2.875e-2 0 -2.084 1.1428e-2 -8.228e-6 # ref. 3 + Mn+2 SO4-2 0.01636 + Na+ OH- 0.0044 0 0 -18.94E-5 + Na+ SO4-2 3.418e-3 -384 0 -8.451e-4 0 5.177e4 # ref. 3 -THETA - B(OH)4- Cl- -0.065 - B(OH)4- SO4-2 -0.012 - B3O3(OH)4- Cl- 0.12 - B3O3(OH)4- HCO3- -0.1 - B3O3(OH)4- SO4-2 0.1 - B4O5(OH)4-2 Cl- 0.074 - B4O5(OH)4-2 HCO3- -0.087 - B4O5(OH)4-2 SO4-2 0.12 - Ba+2 Na+ 0.07 # ref. 3 - Br- OH- -0.065 - Ca+2 H+ 0.092 - Ca+2 K+ -5.35e-3 0 0 3.08e-4 # ref. 3 - Ca+2 Mg+2 0.007 - Ca+2 Na+ 9.22e-2 0 0 -4.29e-4 1.21e-6 # ref. 3 - Cl- CO3-2 -0.02 - Cl- HCO3- 0.03 - Cl- HSO4- -0.006 - Cl- OH- -0.05 - Cl- SO4-2 0.03 # ref. 3 - CO3-2 OH- 0.1 - CO3-2 SO4-2 0.02 - H+ K+ 0.005 - H+ Mg+2 0.1 - H+ Na+ 0.036 - HCO3- CO3-2 -0.04 - HCO3- SO4-2 0.01 - K+ Na+ -0.012 - Mg+2 Na+ 0.07 - Na+ Sr+2 0.051 - OH- SO4-2 -0.013 + B(OH)4- Cl- -0.065 + B(OH)4- SO4-2 -0.012 + B3O3(OH)4- Cl- 0.12 + B3O3(OH)4- HCO3- -0.1 + B3O3(OH)4- SO4-2 0.1 + B4O5(OH)4-2 Cl- 0.074 + B4O5(OH)4-2 HCO3- -0.087 + B4O5(OH)4-2 SO4-2 0.12 + Ba+2 Na+ 0.07 # ref. 3 + Br- OH- -0.065 + Ca+2 H+ 0.092 + Ca+2 K+ -5.35e-3 0 0 3.08e-4 # ref. 3 + Ca+2 Mg+2 0.007 + Ca+2 Na+ 9.22e-2 0 0 -4.29e-4 1.21e-6 # ref. 3 + Cl- CO3-2 -0.02 + Cl- HCO3- 0.03 + Cl- HSO4- -0.006 + Cl- OH- -0.05 + Cl- SO4-2 0.03 # ref. 3 + CO3-2 OH- 0.1 + CO3-2 SO4-2 0.02 + H+ K+ 0.005 + H+ Mg+2 0.1 + H+ Na+ 0.036 + HCO3- CO3-2 -0.04 + HCO3- SO4-2 0.01 + K+ Na+ -0.012 + Mg+2 Na+ 0.07 + Na+ Sr+2 0.051 + OH- SO4-2 -0.013 -LAMDA - B(OH)3 Cl- 0.091 - B(OH)3 K+ -0.14 - B(OH)3 Na+ -0.097 - B(OH)3 SO4-2 0.018 - B3O3(OH)4- B(OH)3 -0.2 - Ca+2 CO2 0.183 - Ca+2 H4SiO4 0.238 # ref. 3 - Cl- CO2 -0.005 - Cl- H2Sg -0.005 - Cl- (H2Sg)2 -0.005 - CO2 CO2 -1.34e-2 348 0.803 # new VM("CO2"), CO2 solubilities at high P, 0 - 150°C - CO2 HSO4- -0.003 - CO2 K+ 0.051 - CO2 Mg+2 0.183 - CO2 Na+ 0.085 - CO2 SO4-2 0.075 # Rumpf and Maurer, 1993 - H2Sg Na+ 0.1047 0 -0.0413 # Xia et al., 2000, Ind. Eng. Chem. Res. 39, 1064 - H2Sg SO4-2 0 0 0.679 - (H2Sg)2 Na+ 0.0123 0 0.256 - H4SiO4 K+ 0.0298 # ref. 3 - H4SiO4 Li+ 0.143 # ref. 3 - H4SiO4 Mg+2 0.238 -1788 -9.023 0.0103 # ref. 3 - H4SiO4 Na+ 0.0566 75.3 0.115 # ref. 3 - H4SiO4 SO4-2 -0.085 0 0.28 -8.25e-4 # ref. 3 + B(OH)3 Cl- 0.091 + B(OH)3 K+ -0.14 + B(OH)3 Na+ -0.097 + B(OH)3 SO4-2 0.018 + B3O3(OH)4- B(OH)3 -0.2 + Ca+2 CO2 0.183 + Ca+2 H4SiO4 0.238 # ref. 3 + Cl- CO2 -0.005 + Cl- H2Sg -0.005 + Cl- (H2Sg)2 -0.005 + CO2 CO2 -1.34e-2 348 0.803 # new VM("CO2"), CO2 solubilities at high P, 0 - 150°C + CO2 HSO4- -0.003 + CO2 K+ 0.051 + CO2 Mg+2 0.183 + CO2 Na+ 0.085 + CO2 SO4-2 0.075 # Rumpf and Maurer, 1993. + H2Sg Na+ 0.1047 0 -0.0413 # Xia et al., 2000, Ind. Eng. Chem. Res. 39, 1064 + H2Sg SO4-2 0 0 0.679 + (H2Sg)2 Na+ 0.0123 0 0.256 + H4SiO4 K+ 0.0298 # ref. 3 + H4SiO4 Li+ 0.143 # ref. 3 + H4SiO4 Mg+2 0.238 -1788 -9.023 0.0103 # ref. 3 + H4SiO4 Na+ 0.0566 75.3 0.115 # ref. 3 + H4SiO4 SO4-2 -0.085 0 0.28 -8.25e-4 # ref. 3 -ZETA - B(OH)3 Cl- H+ -0.0102 - B(OH)3 Na+ SO4-2 0.046 - Cl- H4SiO4 K+ -0.0153 # ref. 3 - Cl- H4SiO4 Li+ -0.0196 # ref. 3 - CO2 Na+ SO4-2 -0.015 - H2Sg Cl- Na+ -0.0123 # Xia et al., 2000, Ind. Eng. Chem. Res. 39, 1064 - H2Sg Na+ SO4-2 0.157 - (H2Sg)2 Cl- Na+ 0.0119 - (H2Sg)2 Na+ SO4-2 -0.167 + B(OH)3 Cl- H+ -0.0102 + B(OH)3 Na+ SO4-2 0.046 + Cl- H4SiO4 K+ -0.0153 # ref. 3 + Cl- H4SiO4 Li+ -0.0196 # ref. 3 + CO2 Na+ SO4-2 -0.015 + H2Sg Cl- Na+ -0.0123 # Xia et al., 2000, Ind. Eng. Chem. Res. 39, 1064 + H2Sg Na+ SO4-2 0.157 + (H2Sg)2 Cl- Na+ 0.0119 + (H2Sg)2 Na+ SO4-2 -0.167 -PSI - B(OH)4- Cl- Na+ -0.0073 - B3O3(OH)4- Cl- Na+ -0.024 - B4O5(OH)4-2 Cl- Na+ 0.026 - Br- K+ Na+ -0.0022 - Br- K+ OH- -0.014 - Br- Na+ H+ -0.012 - Br- Na+ OH- -0.018 - Ca+2 Cl- H+ -0.015 - Ca+2 Cl- K+ -0.025 - Ca+2 Cl- Mg+2 -0.012 - Ca+2 Cl- Na+ -1.48e-2 0 0 -5.2e-6 # ref. 3 - Ca+2 Cl- OH- -0.025 - Ca+2 Cl- SO4-2 -0.122 0 0 -1.21e-3 # ref. 3 - Ca+2 K+ SO4-2 -0.0365 # ref. 3 - Ca+2 Mg+2 SO4-2 0.024 - Ca+2 Na+ SO4-2 -0.055 17.2 # ref. 3 - Cl- Br- K+ 0 - Cl- CO3-2 K+ 0.004 - Cl- CO3-2 Na+ 0.0085 - Cl- H+ K+ -0.011 - Cl- H+ Mg+2 -0.011 - Cl- H+ Na+ -0.004 - Cl- HCO3- Mg+2 -0.096 - Cl- HCO3- Na+ 0 # ref. 3 new -analytic for calcite - Cl- HSO4- H+ 0.013 - Cl- HSO4- Na+ -0.006 - Cl- K+ Mg+2 -0.022 -14.27 # ref. 3 - Cl- K+ Na+ -0.0015 0 0 1.8e-5 # ref. 3 - Cl- K+ OH- -0.006 - Cl- K+ SO4-2 -1e-3 # ref. 3 - Cl- Mg+2 MgOH+ 0.028 - Cl- Mg+2 Na+ -0.012 -9.51 # ref. 3 - Cl- Mg+2 SO4-2 -0.008 32.63 # ref. 3 - Cl- Na+ OH- -0.006 - Cl- Na+ SO4-2 0 # ref. 3 - Cl- Na+ Sr+2 -0.0021 - CO3-2 HCO3- K+ 0.012 - CO3-2 HCO3- Na+ 0.002 - CO3-2 K+ Na+ 0.003 - CO3-2 K+ OH- -0.01 - CO3-2 K+ SO4-2 -0.009 - CO3-2 Na+ OH- -0.017 - CO3-2 Na+ SO4-2 -0.005 - H+ HSO4- K+ -0.0265 - H+ HSO4- Mg+2 -0.0178 - H+ HSO4- Na+ -0.0129 - H+ K+ Br- -0.021 - H+ K+ SO4-2 0.197 - HCO3- K+ Na+ -0.003 - HCO3- Mg+2 SO4-2 -0.161 - HCO3- Na+ SO4-2 -0.005 - HSO4- K+ SO4-2 -0.0677 - HSO4- Mg+2 SO4-2 -0.0425 - HSO4- Na+ SO4-2 -0.0094 - K+ Mg+2 SO4-2 -0.048 - K+ Na+ SO4-2 -0.01 - K+ OH- SO4-2 -0.05 - Mg+2 Na+ SO4-2 -0.015 - Na+ OH- SO4-2 -0.009 + B(OH)4- Cl- Na+ -0.0073 + B3O3(OH)4- Cl- Na+ -0.024 + B4O5(OH)4-2 Cl- Na+ 0.026 + Br- K+ Na+ -0.0022 + Br- K+ OH- -0.014 + Br- Na+ H+ -0.012 + Br- Na+ OH- -0.018 + Ca+2 Cl- H+ -0.015 + Ca+2 Cl- K+ -0.025 + Ca+2 Cl- Mg+2 -0.012 + Ca+2 Cl- Na+ -1.48e-2 0 0 -5.2e-6 # ref. 3 + Ca+2 Cl- OH- -0.025 + Ca+2 Cl- SO4-2 -0.122 0 0 -1.21e-3 # ref. 3 + Ca+2 K+ SO4-2 -0.0365 # ref. 3 + Ca+2 Mg+2 SO4-2 0.024 + Ca+2 Na+ SO4-2 -0.055 17.2 # ref. 3 + Cl- Br- K+ 0 + Cl- CO3-2 K+ 0.004 + Cl- CO3-2 Na+ 0.0085 + Cl- H+ K+ -0.011 + Cl- H+ Mg+2 -0.011 + Cl- H+ Na+ -0.004 + Cl- HCO3- Mg+2 -0.096 + Cl- HCO3- Na+ 0 # ref. 3 + new -analytic for calcite + Cl- HSO4- H+ 0.013 + Cl- HSO4- Na+ -0.006 + Cl- K+ Mg+2 -0.022 -14.27 # ref. 3 + Cl- K+ Na+ -0.0015 0 0 1.8e-5 # ref. 3 + Cl- K+ OH- -0.006 + Cl- K+ SO4-2 -1e-3 # ref. 3 + Cl- Mg+2 MgOH+ 0.028 + Cl- Mg+2 Na+ -0.012 -9.51 # ref. 3 + Cl- Mg+2 SO4-2 -0.008 32.63 # ref. 3 + Cl- Na+ OH- -0.006 + Cl- Na+ SO4-2 0 # ref. 3 + Cl- Na+ Sr+2 -0.0021 + CO3-2 HCO3- K+ 0.012 + CO3-2 HCO3- Na+ 0.002 + CO3-2 K+ Na+ 0.003 + CO3-2 K+ OH- -0.01 + CO3-2 K+ SO4-2 -0.009 + CO3-2 Na+ OH- -0.017 + CO3-2 Na+ SO4-2 -0.005 + H+ HSO4- K+ -0.0265 + H+ HSO4- Mg+2 -0.0178 + H+ HSO4- Na+ -0.0129 + H+ K+ Br- -0.021 + H+ K+ SO4-2 0.197 + HCO3- K+ Na+ -0.003 + HCO3- Mg+2 SO4-2 -0.161 + HCO3- Na+ SO4-2 -0.005 + HSO4- K+ SO4-2 -0.0677 + HSO4- Mg+2 SO4-2 -0.0425 + HSO4- Na+ SO4-2 -0.0094 + K+ Mg+2 SO4-2 -0.048 + K+ Na+ SO4-2 -0.01 + K+ OH- SO4-2 -0.05 + Mg+2 Na+ SO4-2 -0.015 + Na+ OH- SO4-2 -0.009 EXCHANGE_MASTER_SPECIES X X- EXCHANGE_SPECIES diff --git a/mytest/SC_Ohm b/mytest/SC_Ohm index eac726222..cb60afe4b 100644 --- a/mytest/SC_Ohm +++ b/mytest/SC_Ohm @@ -9,6 +9,14 @@ USER_PUNCH 101 20 PUNCH STR_F$(SC, 20, 10) -end END +#PRINT; -reset false +# SOLUTION_SPECIES + # Cl- = Cl- + # -gamma 3.5 0.015 + # -gamma 3.63 0.017 # cf. pitzer.dat + # -dw 2.03e-9 194 1.6 6.9 + # -Vm 4.465 4.801 4.325 -2.847 1.748 0 -0.331 20.16 0 1 # ref. 1 + SOLUTION 0-1; -water 1e3; Cl 0.1; Na 0.1 SOLUTION 2; -water 1e3; Cl 0.1; Na 0.1 potential 1 @@ -20,16 +28,79 @@ TRANSPORT -time_step 1; -punch_cells 1; -shifts 1 USER_GRAPH -initial_solutions false --axis_titles "NaCl / (mol/kgw)" "Specific Conductance / (mS/cm)" --axis_scale x_axis 0 2.001 --headings PHREEQC`s SC Ohm`s law -10 if get(1) > 0 then plot_xy get(1), get(2) / 1e3, symbol_size = 3, y_axis = 2 -20 if get(1) > 0 then plot_xy get(1), -current_a * 10, symbol = Square, symbol_size = 8, line_width = 2 -30 put(tot("Cl"), 1) : put(SC, 2) +-axis_titles "NaCl / (mol/kgw)" "Specific Conductance (Ohm`s law) / (mS/cm)" "Specific Conductance (PHREEQC) / (mS/cm)" +-axis_scale x_axis 0 6.2 +-axis_scale y_axis 0 350 +-axis_scale sy_axis 0 350 +-headings Ohm`s..law PHREEQC`s..SC +10 if get(1) > 0 then plot_xy get(1), -current_a * 10, symbol_size = 3 +20 if get(1) > 0 then plot_xy get(1), get(2) / 1e3, y_axis = 2, symbol = Square, symbol_size = 8, line_width = 2 +30 put(tot("Cl"), 1) : put(SC, 2) # TRANSPORT calc`n after adding REACTION END REACTION 0-2 -NaCl 1; 200 +NaCl 1; 600 TRANSPORT -shifts 11 END + +# Now with concentration-independent Dw... +USER_GRAPH 1; -active false; -connect_simulations false +SOLUTION 0-1; -water 1e3; Cl 0.1; Na 0.1 +SOLUTION 2; -water 1e3; Cl 0.1; Na 0.1 +potential 1 +END + +USER_GRAPH 1; -active true; -connect_simulations true +-headings Dw:..correct..false +10 if sim_no > 5 then plot_xy get(1), -current_a * 10, symbol_size = 7, symbol = XCross , color = Red +30 put(tot("Cl"), 1) : put(SC, 2) # TRANSPORT calc`n after adding REACTION +REACTION 0-2 +TRANSPORT +-multi_d true 1e-9 1 0.0 1 false +-shifts 1 +END + +REACTION 0-2 +NaCl 1; 300 +TRANSPORT +-shifts 11 +END + +SOLUTION_SPREAD +-units mol/kgw +number Cl Na pH +1 1.0047e-01 1.0047e-01 7 charge +2 1.2564e-01 1.2564e-01 7 charge +3 1.5084e-01 1.5084e-01 7 charge +4 1.7606e-01 1.7606e-01 7 charge +5 2.0131e-01 2.0131e-01 7 charge +6 2.5184e-01 2.5184e-01 7 charge +7 3.0249e-01 3.0249e-01 7 charge +8 4.0407e-01 4.0407e-01 7 charge +9 5.0603e-01 5.0603e-01 7 charge +10 6.0844e-01 6.0844e-01 7 charge +11 7.1117e-01 7.1117e-01 7 charge +12 8.1438e-01 8.1438e-01 7 charge +13 9.1799e-01 9.1799e-01 7 charge +14 1.0220e+00 1.0220e+00 7 charge +15 1.2314e+00 1.2314e+00 7 charge +16 1.4426e+00 1.4426e+00 7 charge +17 1.6556e+00 1.6556e+00 7 charge +18 1.8705e+00 1.8705e+00 7 charge +19 2.0872e+00 2.0872e+00 7 charge +20 2.6383e+00 2.6383e+00 7 charge +21 3.2025e+00 3.2025e+00 7 charge +22 3.7807e+00 3.7807e+00 7 charge +23 4.3738e+00 4.3738e+00 7 charge +24 4.9828e+00 4.9828e+00 7 charge +25 5.6092e+00 5.6092e+00 7 charge +26 6.0587e+00 6.0587e+00 7 charge +USER_GRAPH 1 +-initial_solutions true +-headings measured..SC +10 DATA 106.24, 104.67, 103.34, 102.12, 101.05, 99.16, 97.56, 94.81, 92.50, 90.46, 88.63, 86.95, 85.38, 83.91, 81.14, 78.56, 76.12, 73.81, 71.59, 66.35, 61.42, 56.78, 52.34, 48.12, 44.09, 41.38, 100.82, 94.97, 90.75, 87.58, 84.16, 81.59, 77.79, 74.49, 68.35, 62.96, 57.89, 53.47, 48.96, 101.05, 92.84, 84.27, 72.44, 63.12, 55.10, 124.50, 123.70, 122.70, 120.60, 118.53, 115.80, 111.10, 106.70, 100.82, 0.379, 0.372, 0.369, 0.366, 0.364, 0.363, 0.362, 0.360, 0.359, 0.358, 0.357, 0.356, 0.354, 0.353, 0.353, 0.353, 0.352, 0.352 + +20 restore 10 : dim HB(100) : for i = 1 to cell_no : READ HB(i) : next i +30 plot_xy tot("Cl"), tot("Cl") * HB(cell_no), line_width = 0, color = Magenta, symbol = XCross + diff --git a/mytest/SC_Ohm.out b/mytest/SC_Ohm.out index d81fe166d..5f6c1e4fd 100644 --- a/mytest/SC_Ohm.out +++ b/mytest/SC_Ohm.out @@ -1,4 +1,3 @@ -WARNING: Database file from DATABASE keyword is used; command line argument ignored. Input file: SC_Ohm Output file: SC_Ohm.out Database file: ../database/phreeqc.dat @@ -192,12 +191,14 @@ WARNING: No cell-lengths were read; length = 1 m assumed. WARNING: No dispersivities were read; disp = 0 assumed. WARNING: No porosities were read; used the value 1.00e+00 from -multi_D. -initial_solutions false - -axis_titles "NaCl / (mol/kgw)" "Specific Conductance / (mS/cm)" - -axis_scale x_axis 0 2.001 - -headings PHREEQC`s SC Ohm`s law - 10 if get(1) > 0 then plot_xy get(1), get(2) / 1e3, symbol_size = 3, y_axis = 2 - 20 if get(1) > 0 then plot_xy get(1), -current_a * 10, symbol = Square, symbol_size = 8, line_width = 2 - 30 put(tot("Cl"), 1) : put(SC, 2) + -axis_titles "NaCl / (mol/kgw)" "Specific Conductance (Ohm`s law) / (mS/cm)" "Specific Conductance (PHREEQC) / (mS/cm)" + -axis_scale x_axis 0 6.2 + -axis_scale y_axis 0 350 + -axis_scale sy_axis 0 350 + -headings Ohm`s..law PHREEQC`s..SC + 10 if get(1) > 0 then plot_xy get(1), -current_a * 10, symbol_size = 3 + 20 if get(1) > 0 then plot_xy get(1), get(2) / 1e3, y_axis = 2, symbol = Square, symbol_size = 8, line_width = 2 + 30 put(tot("Cl"), 1) : put(SC, 2) END ------------------------------------ Beginning of transport calculations. @@ -586,7 +587,7 @@ Reading input data for simulation 4. REACTION 0-2 NaCl 1 - 200 + 600 TRANSPORT shifts 11 END @@ -793,7 +794,7 @@ Using reaction 0. Reaction 0. - 2.000e+02 moles of the following reaction have been added: + 6.000e+02 moles of the following reaction have been added: Relative Reactant moles @@ -809,25 +810,25 @@ Reaction 0. Elements Molality Moles - Cl 2.001e-01 2.001e+02 - Na 2.001e-01 2.001e+02 + Cl 6.001e-01 6.001e+02 + Na 6.001e-01 6.001e+02 ----------------------------Description of solution---------------------------- - pH = 6.982 Charge balance - pe = -3.125 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 20192 - Density (g/cm³) = 1.00519 - Volume (L) = 1006.47280 - Viscosity (mPa s) = 0.90626 - Activity of water = 0.993 - Ionic strength (mol/kgw) = 2.001e-01 + pH = 6.971 Charge balance + pe = -3.134 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 54376 + Density (g/cm³) = 1.02090 + Volume (L) = 1013.88417 + Viscosity (mPa s) = 0.93820 + Activity of water = 0.980 + Ionic strength (mol/kgw) = 6.001e-01 Mass of water (kg) = 1.000e+03 Total alkalinity (eq/kg) = 1.273e-09 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.248e-06 + Electrical balance (eq) = -1.256e-06 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 8 + Iterations = 7 Total H = 1.110124e+05 Total O = 5.550622e+04 @@ -836,28 +837,28 @@ Reaction 0. Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - OH- 1.363e-07 9.636e-08 -6.865 -7.016 -0.151 -3.50 - H+ 1.308e-07 1.043e-07 -6.883 -6.982 -0.098 0.00 - H2O 5.551e+01 9.932e-01 1.744 -0.003 0.000 18.07 -Cl 2.001e-01 - Cl- 2.001e-01 1.432e-01 -0.699 -0.844 -0.145 18.46 - HCl 4.229e-09 5.146e-09 -8.374 -8.289 0.085 (0) + OH- 1.501e-07 9.275e-08 -6.824 -7.033 -0.209 -2.75 + H+ 1.410e-07 1.069e-07 -6.851 -6.971 -0.120 0.00 + H2O 5.551e+01 9.796e-01 1.744 -0.009 0.000 18.07 +Cl 6.001e-01 + Cl- 6.001e-01 3.829e-01 -0.222 -0.417 -0.195 18.75 + HCl 7.831e-09 1.410e-08 -8.106 -7.851 0.255 (0) H(0) 2.615e-11 - H2 1.307e-11 1.369e-11 -10.884 -10.864 0.020 28.61 -Na 2.001e-01 - Na+ 2.001e-01 1.496e-01 -0.699 -0.825 -0.126 -0.93 - NaOH 1.377e-18 1.442e-18 -17.861 -17.841 0.020 (0) + H2 1.307e-11 1.501e-11 -10.884 -10.824 0.060 28.61 +Na 6.001e-01 + Na+ 6.001e-01 4.301e-01 -0.222 -0.366 -0.145 -0.56 + NaOH 3.474e-18 3.989e-18 -17.459 -17.399 0.060 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -70.679 -70.659 0.020 30.40 + O2 0.000e+00 0.000e+00 -70.811 -70.751 0.060 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -7.76 -10.86 -3.10 H2 - H2O(g) -1.51 -0.00 1.50 H2O - Halite -3.24 -1.67 1.57 NaCl - O2(g) -67.77 -70.66 -2.89 O2 + H2(g) -7.72 -10.82 -3.10 H2 + H2O(g) -1.51 -0.01 1.50 H2O + Halite -2.35 -0.78 1.57 NaCl + O2(g) -67.86 -70.75 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -873,7 +874,7 @@ Mixture 1. Reaction 1. - 2.000e+02 moles of the following reaction have been added: + 6.000e+02 moles of the following reaction have been added: Relative Reactant moles @@ -889,26 +890,26 @@ Reaction 1. Elements Molality Moles - Cl 2.001e-01 2.001e+02 - Na 2.001e-01 2.001e+02 + Cl 6.001e-01 6.001e+02 + Na 6.001e-01 6.001e+02 ----------------------------Description of solution---------------------------- - pH = 6.982 Charge balance - pe = -1.331 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 20192 - Density (g/cm³) = 1.00519 - Volume (L) = 1006.47280 - Viscosity (mPa s) = 0.90626 - Activity of water = 0.993 - Ionic strength (mol/kgw) = 2.001e-01 + pH = 6.971 Charge balance + pe = -1.343 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 54376 + Density (g/cm³) = 1.02090 + Volume (L) = 1013.88417 + Viscosity (mPa s) = 0.93820 + Activity of water = 0.980 + Ionic strength (mol/kgw) = 6.001e-01 Mass of water (kg) = 1.000e+03 Total alkalinity (eq/kg) = 1.247e-09 Temperature (°C) = 25.00 Electrical Potential (Volt) = 0.50 - Electrical balance (eq) = -1.247e-06 + Electrical balance (eq) = -1.327e-06 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 14 + Iterations = 13 Total H = 1.110124e+05 Total O = 5.550622e+04 @@ -917,28 +918,28 @@ Reaction 1. Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - OH- 1.363e-07 9.635e-08 -6.866 -7.016 -0.151 -3.50 - H+ 1.308e-07 1.043e-07 -6.883 -6.982 -0.098 0.00 - H2O 5.551e+01 9.932e-01 1.744 -0.003 0.000 18.07 -Cl 2.001e-01 - Cl- 2.001e-01 1.432e-01 -0.699 -0.844 -0.145 18.46 - HCl 4.230e-09 5.146e-09 -8.374 -8.289 0.085 (0) -H(0) 6.765e-15 - H2 3.383e-15 3.542e-15 -14.471 -14.451 0.020 28.61 -Na 2.001e-01 - Na+ 2.001e-01 1.496e-01 -0.699 -0.825 -0.126 -0.93 - NaOH 1.377e-18 1.442e-18 -17.861 -17.841 0.020 (0) + OH- 1.500e-07 9.274e-08 -6.824 -7.033 -0.209 -2.75 + H+ 1.410e-07 1.069e-07 -6.851 -6.971 -0.120 0.00 + H2O 5.551e+01 9.796e-01 1.744 -0.009 0.000 18.07 +Cl 6.001e-01 + Cl- 6.001e-01 3.829e-01 -0.222 -0.417 -0.195 18.75 + HCl 7.832e-09 1.410e-08 -8.106 -7.851 0.255 (0) +H(0) 6.839e-15 + H2 3.419e-15 3.926e-15 -14.466 -14.406 0.060 28.61 +Na 6.001e-01 + Na+ 6.001e-01 4.301e-01 -0.222 -0.366 -0.145 -0.56 + NaOH 3.474e-18 3.989e-18 -17.459 -17.399 0.060 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -63.504 -63.484 0.020 30.40 + O2 0.000e+00 0.000e+00 -63.646 -63.586 0.060 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -11.35 -14.45 -3.10 H2 - H2O(g) -1.51 -0.00 1.50 H2O - Halite -3.24 -1.67 1.57 NaCl - O2(g) -60.59 -63.48 -2.89 O2 + H2(g) -11.30 -14.41 -3.10 H2 + H2O(g) -1.51 -0.01 1.50 H2O + Halite -2.35 -0.78 1.57 NaCl + O2(g) -60.69 -63.59 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -948,7 +949,7 @@ Using reaction 2. Reaction 2. - 2.000e+02 moles of the following reaction have been added: + 6.000e+02 moles of the following reaction have been added: Relative Reactant moles @@ -964,26 +965,26 @@ Reaction 2. Elements Molality Moles - Cl 2.001e-01 2.001e+02 - Na 2.001e-01 2.001e+02 + Cl 6.001e-01 6.001e+02 + Na 6.001e-01 6.001e+02 ----------------------------Description of solution---------------------------- - pH = 6.982 Charge balance - pe = 11.789 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 20192 - Density (g/cm³) = 1.00519 - Volume (L) = 1006.47280 - Viscosity (mPa s) = 0.90626 - Activity of water = 0.993 - Ionic strength (mol/kgw) = 2.001e-01 + pH = 6.971 Charge balance + pe = 11.813 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 54376 + Density (g/cm³) = 1.02090 + Volume (L) = 1013.88417 + Viscosity (mPa s) = 0.93820 + Activity of water = 0.980 + Ionic strength (mol/kgw) = 6.001e-01 Mass of water (kg) = 1.000e+03 Total alkalinity (eq/kg) = 1.221e-09 Temperature (°C) = 25.00 Electrical Potential (Volt) = 1.00 - Electrical balance (eq) = -1.248e-06 + Electrical balance (eq) = -1.256e-06 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 8 + Iterations = 7 Total H = 1.110124e+05 Total O = 5.550622e+04 @@ -992,28 +993,28 @@ Reaction 2. Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - OH- 1.363e-07 9.634e-08 -6.866 -7.016 -0.151 -3.50 - H+ 1.308e-07 1.043e-07 -6.883 -6.982 -0.098 0.00 - H2O 5.551e+01 9.932e-01 1.744 -0.003 0.000 18.07 -Cl 2.001e-01 - Cl- 2.001e-01 1.432e-01 -0.699 -0.844 -0.145 18.46 - HCl 4.230e-09 5.147e-09 -8.374 -8.288 0.085 (0) + OH- 1.500e-07 9.273e-08 -6.824 -7.033 -0.209 -2.75 + H+ 1.410e-07 1.069e-07 -6.851 -6.971 -0.120 0.00 + H2O 5.551e+01 9.796e-01 1.744 -0.009 0.000 18.07 +Cl 6.001e-01 + Cl- 6.001e-01 3.829e-01 -0.222 -0.417 -0.195 18.75 + HCl 7.832e-09 1.410e-08 -8.106 -7.851 0.255 (0) H(0) 0.000e+00 - H2 0.000e+00 0.000e+00 -40.711 -40.691 0.020 28.61 -Na 2.001e-01 - Na+ 2.001e-01 1.496e-01 -0.699 -0.825 -0.126 -0.93 - NaOH 1.377e-18 1.441e-18 -17.861 -17.841 0.020 (0) + H2 0.000e+00 0.000e+00 -40.777 -40.717 0.060 28.61 +Na 6.001e-01 + Na+ 6.001e-01 4.301e-01 -0.222 -0.366 -0.145 -0.56 + NaOH 3.474e-18 3.988e-18 -17.459 -17.399 0.060 (0) O(0) 1.895e-11 - O2 9.473e-12 9.920e-12 -11.024 -11.003 0.020 30.40 + O2 9.473e-12 1.088e-11 -11.024 -10.963 0.060 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -37.59 -40.69 -3.10 H2 - H2O(g) -1.51 -0.00 1.50 H2O - Halite -3.24 -1.67 1.57 NaCl - O2(g) -8.11 -11.00 -2.89 O2 + H2(g) -37.62 -40.72 -3.10 H2 + H2O(g) -1.51 -0.01 1.50 H2O + Halite -2.35 -0.78 1.57 NaCl + O2(g) -8.07 -10.96 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -1025,7 +1026,7 @@ Using reaction 0. Reaction 0. - 2.000e+02 moles of the following reaction have been added: + 6.000e+02 moles of the following reaction have been added: Relative Reactant moles @@ -1041,25 +1042,25 @@ Reaction 0. Elements Molality Moles - Cl 4.001e-01 4.001e+02 - Na 4.001e-01 4.001e+02 + Cl 1.200e+00 1.200e+03 + Na 1.200e+00 1.200e+03 ----------------------------Description of solution---------------------------- - pH = 7.007 Charge balance - pe = -4.619 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 37928 - Density (g/cm³) = 1.01312 - Volume (L) = 1010.13099 - Viscosity (mPa s) = 0.92191 - Activity of water = 0.986 - Ionic strength (mol/kgw) = 4.001e-01 + pH = 7.042 Charge balance + pe = -4.908 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 98017 + Density (g/cm³) = 1.04347 + Volume (L) = 1025.55523 + Viscosity (mPa s) = 0.99203 + Activity of water = 0.959 + Ionic strength (mol/kgw) = 1.200e+00 Mass of water (kg) = 1.000e+03 - Total alkalinity (eq/kg) = 2.247e-08 + Total alkalinity (eq/kg) = 5.920e-08 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.248e-06 + Electrical balance (eq) = -1.256e-06 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 6 + Iterations = 7 Total H = 1.110124e+05 Total O = 5.550622e+04 @@ -1068,28 +1069,28 @@ Reaction 0. Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - OH- 1.560e-07 1.015e-07 -6.807 -6.994 -0.187 -3.11 - H+ 1.274e-07 9.838e-08 -6.895 -7.007 -0.112 0.00 - H2O 5.551e+01 9.864e-01 1.744 -0.006 0.000 18.07 -Cl 4.001e-01 - Cl- 4.001e-01 2.661e-01 -0.398 -0.575 -0.177 18.62 - HCl 6.094e-09 9.019e-09 -8.215 -8.045 0.170 (0) -H(0) 2.163e-08 - H2 1.081e-08 1.186e-08 -7.966 -7.926 0.040 28.61 -Na 4.001e-01 - Na+ 4.001e-01 2.887e-01 -0.398 -0.540 -0.142 -0.72 - NaOH 2.671e-18 2.929e-18 -17.573 -17.533 0.040 (0) + OH- 1.891e-07 1.070e-07 -6.723 -6.971 -0.247 -1.80 + H+ 1.229e-07 9.074e-08 -6.910 -7.042 -0.132 0.00 + H2O 5.551e+01 9.592e-01 1.744 -0.018 0.000 18.07 +Cl 1.200e+00 + Cl- 1.200e+00 7.200e-01 0.079 -0.143 -0.222 19.03 + HCl 6.944e-09 2.251e-08 -8.158 -7.648 0.511 (0) +H(0) 5.795e-08 + H2 2.898e-08 3.820e-08 -7.538 -7.418 0.120 28.61 +Na 1.200e+00 + Na+ 1.200e+00 8.938e-01 0.079 -0.049 -0.128 -0.20 + NaOH 7.254e-18 9.563e-18 -17.139 -17.019 0.120 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -76.580 -76.540 0.040 30.40 + O2 0.000e+00 0.000e+00 -77.700 -77.580 0.120 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -4.82 -7.93 -3.10 H2 - H2O(g) -1.51 -0.01 1.50 H2O - Halite -2.68 -1.11 1.57 NaCl - O2(g) -73.65 -76.54 -2.89 O2 + H2(g) -4.32 -7.42 -3.10 H2 + H2O(g) -1.52 -0.02 1.50 H2O + Halite -1.76 -0.19 1.57 NaCl + O2(g) -74.69 -77.58 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -1105,7 +1106,7 @@ Mixture 1. Reaction 1. - 2.000e+02 moles of the following reaction have been added: + 6.000e+02 moles of the following reaction have been added: Relative Reactant moles @@ -1121,26 +1122,26 @@ Reaction 1. Elements Molality Moles - Cl 4.001e-01 4.001e+02 - Na 4.001e-01 4.001e+02 + Cl 1.200e+00 1.200e+03 + Na 1.200e+00 1.200e+03 ----------------------------Description of solution---------------------------- - pH = 6.975 Charge balance - pe = -1.332 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 37928 - Density (g/cm³) = 1.01312 - Volume (L) = 1010.13099 - Viscosity (mPa s) = 0.92191 - Activity of water = 0.986 - Ionic strength (mol/kgw) = 4.001e-01 + pH = 6.962 Charge balance + pe = 10.918 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 98017 + Density (g/cm³) = 1.04347 + Volume (L) = 1025.55523 + Viscosity (mPa s) = 0.99203 + Activity of water = 0.959 + Ionic strength (mol/kgw) = 1.200e+00 Mass of water (kg) = 1.000e+03 Total alkalinity (eq/kg) = 1.247e-09 Temperature (°C) = 25.00 Electrical Potential (Volt) = 0.50 - Electrical balance (eq) = -1.247e-06 + Electrical balance (eq) = -1.327e-06 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 5 + Iterations = 14 Total H = 1.110124e+05 Total O = 5.550622e+04 @@ -1149,28 +1150,28 @@ Reaction 1. Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - OH- 1.450e-07 9.429e-08 -6.839 -7.026 -0.187 -3.11 - H+ 1.372e-07 1.059e-07 -6.863 -6.975 -0.112 0.00 - H2O 5.551e+01 9.864e-01 1.744 -0.006 0.000 18.07 -Cl 4.001e-01 - Cl- 4.001e-01 2.661e-01 -0.398 -0.575 -0.177 18.62 - HCl 6.558e-09 9.706e-09 -8.183 -8.013 0.170 (0) -H(0) 6.672e-15 - H2 3.336e-15 3.658e-15 -14.477 -14.437 0.040 28.61 -Na 4.001e-01 - Na+ 4.001e-01 2.887e-01 -0.398 -0.540 -0.142 -0.72 - NaOH 2.482e-18 2.722e-18 -17.605 -17.565 0.040 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -63.558 -63.518 0.040 30.40 + OH- 1.573e-07 8.902e-08 -6.803 -7.050 -0.247 -1.80 + H+ 1.477e-07 1.091e-07 -6.831 -6.962 -0.132 0.00 + H2O 5.551e+01 9.592e-01 1.744 -0.018 0.000 18.07 +Cl 1.200e+00 + Cl- 1.200e+00 7.200e-01 0.079 -0.143 -0.222 19.03 + HCl 8.345e-09 2.705e-08 -8.079 -7.568 0.511 (0) +H(0) 1.862e-39 + H2 9.308e-40 1.227e-39 -39.031 -38.911 0.120 28.61 +Na 1.200e+00 + Na+ 1.200e+00 8.938e-01 0.079 -0.049 -0.128 -0.20 + NaOH 6.036e-18 7.957e-18 -17.219 -17.099 0.120 (0) +O(0) 3.864e-15 + O2 1.932e-15 2.547e-15 -14.714 -14.594 0.120 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -11.34 -14.44 -3.10 H2 - H2O(g) -1.51 -0.01 1.50 H2O - Halite -2.68 -1.11 1.57 NaCl - O2(g) -60.63 -63.52 -2.89 O2 + H2(g) -35.81 -38.91 -3.10 H2 + H2O(g) -1.52 -0.02 1.50 H2O + Halite -1.76 -0.19 1.57 NaCl + O2(g) -11.70 -14.59 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -1180,7 +1181,7 @@ Using reaction 2. Reaction 2. - 2.000e+02 moles of the following reaction have been added: + 6.000e+02 moles of the following reaction have been added: Relative Reactant moles @@ -1196,26 +1197,26 @@ Reaction 2. Elements Molality Moles - Cl 4.001e-01 4.001e+02 - Na 4.001e-01 4.001e+02 + Cl 1.200e+00 1.200e+03 + Na 1.200e+00 1.200e+03 ----------------------------Description of solution---------------------------- - pH = 6.943 Charge balance - pe = 12.525 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 37928 - Density (g/cm³) = 1.01312 - Volume (L) = 1010.13099 - Viscosity (mPa s) = 0.92191 - Activity of water = 0.986 - Ionic strength (mol/kgw) = 4.001e-01 + pH = 6.882 Charge balance + pe = 12.720 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 98017 + Density (g/cm³) = 1.04347 + Volume (L) = 1025.55523 + Viscosity (mPa s) = 0.99203 + Activity of water = 0.959 + Ionic strength (mol/kgw) = 1.200e+00 Mass of water (kg) = 1.000e+03 - Total alkalinity (eq/kg) = -1.998e-08 + Total alkalinity (eq/kg) = -5.671e-08 Temperature (°C) = 25.00 Electrical Potential (Volt) = 1.00 - Electrical balance (eq) = -1.248e-06 + Electrical balance (eq) = -1.256e-06 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 8 + Iterations = 7 Total H = 1.110124e+05 Total O = 5.550622e+04 @@ -1224,28 +1225,28 @@ Reaction 2. Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - H+ 1.476e-07 1.140e-07 -6.831 -6.943 -0.112 0.00 - OH- 1.347e-07 8.761e-08 -6.871 -7.057 -0.187 -3.11 - H2O 5.551e+01 9.864e-01 1.744 -0.006 0.000 18.07 -Cl 4.001e-01 - Cl- 4.001e-01 2.661e-01 -0.398 -0.575 -0.177 18.62 - HCl 7.058e-09 1.045e-08 -8.151 -7.981 0.170 (0) + H+ 1.776e-07 1.311e-07 -6.751 -6.882 -0.132 0.00 + OH- 1.309e-07 7.407e-08 -6.883 -7.130 -0.247 -1.80 + H2O 5.551e+01 9.592e-01 1.744 -0.018 0.000 18.07 +Cl 1.200e+00 + Cl- 1.200e+00 7.200e-01 0.079 -0.143 -0.222 19.03 + HCl 1.003e-08 3.251e-08 -7.999 -7.488 0.511 (0) H(0) 0.000e+00 - H2 0.000e+00 0.000e+00 -42.127 -42.087 0.040 28.61 -Na 4.001e-01 - Na+ 4.001e-01 2.887e-01 -0.398 -0.540 -0.142 -0.72 - NaOH 2.306e-18 2.529e-18 -17.637 -17.597 0.040 (0) -O(0) 1.105e-08 - O2 5.527e-09 6.060e-09 -8.258 -8.218 0.040 30.40 + H2 0.000e+00 0.000e+00 -42.475 -42.355 0.120 28.61 +Na 1.200e+00 + Na+ 1.200e+00 8.938e-01 0.079 -0.049 -0.128 -0.20 + NaOH 5.022e-18 6.620e-18 -17.299 -17.179 0.120 (0) +O(0) 2.987e-08 + O2 1.494e-08 1.969e-08 -7.826 -7.706 0.120 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -38.99 -42.09 -3.10 H2 - H2O(g) -1.51 -0.01 1.50 H2O - Halite -2.68 -1.11 1.57 NaCl - O2(g) -5.33 -8.22 -2.89 O2 + H2(g) -39.25 -42.36 -3.10 H2 + H2O(g) -1.52 -0.02 1.50 H2O + Halite -1.76 -0.19 1.57 NaCl + O2(g) -4.81 -7.71 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -1257,7 +1258,7 @@ Using reaction 0. Reaction 0. - 2.000e+02 moles of the following reaction have been added: + 6.000e+02 moles of the following reaction have been added: Relative Reactant moles @@ -1273,23 +1274,23 @@ Reaction 0. Elements Molality Moles - Cl 6.001e-01 6.001e+02 - Na 6.001e-01 6.001e+02 + Cl 1.800e+00 1.800e+03 + Na 1.800e+00 1.800e+03 ----------------------------Description of solution---------------------------- - pH = 7.059 Charge balance - pe = -4.909 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 54376 - Density (g/cm³) = 1.02090 - Volume (L) = 1013.88417 - Viscosity (mPa s) = 0.93820 - Activity of water = 0.980 - Ionic strength (mol/kgw) = 6.001e-01 + pH = 7.172 Charge balance + pe = -5.295 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 134522 + Density (g/cm³) = 1.06505 + Volume (L) = 1037.69796 + Viscosity (mPa s) = 1.05397 + Activity of water = 0.939 + Ionic strength (mol/kgw) = 1.800e+00 Mass of water (kg) = 1.000e+03 - Total alkalinity (eq/kg) = 6.258e-08 + Total alkalinity (eq/kg) = 1.660e-07 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.248e-06 + Electrical balance (eq) = -1.253e-06 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 4 Total H = 1.110124e+05 @@ -1300,28 +1301,28 @@ Reaction 0. Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - OH- 1.840e-07 1.137e-07 -6.735 -6.944 -0.209 -2.75 - H+ 1.150e-07 8.721e-08 -6.939 -7.059 -0.120 0.00 - H2O 5.551e+01 9.796e-01 1.744 -0.009 0.000 18.07 -Cl 6.001e-01 - Cl- 6.001e-01 3.829e-01 -0.222 -0.417 -0.195 18.75 - HCl 6.388e-09 1.150e-08 -8.195 -7.939 0.255 (0) -H(0) 6.176e-08 - H2 3.088e-08 3.546e-08 -7.510 -7.450 0.060 28.61 -Na 6.001e-01 - Na+ 6.001e-01 4.301e-01 -0.222 -0.366 -0.145 -0.56 - NaOH 4.259e-18 4.890e-18 -17.371 -17.311 0.060 (0) + OH- 2.626e-07 1.413e-07 -6.581 -6.850 -0.269 -0.91 + H+ 9.236e-08 6.725e-08 -7.035 -7.172 -0.138 0.00 + H2O 5.551e+01 9.388e-01 1.744 -0.027 0.000 18.07 +Cl 1.800e+00 + Cl- 1.800e+00 1.054e+00 0.255 0.023 -0.233 19.23 + HCl 4.183e-09 2.441e-08 -8.379 -7.612 0.766 (0) +H(0) 1.649e-07 + H2 8.243e-08 1.248e-07 -7.084 -6.904 0.180 28.61 +Na 1.800e+00 + Na+ 1.800e+00 1.440e+00 0.255 0.158 -0.097 0.06 + NaOH 1.344e-17 2.035e-17 -16.872 -16.692 0.180 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -77.557 -77.497 0.060 30.40 + O2 0.000e+00 0.000e+00 -78.807 -78.627 0.180 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -4.35 -7.45 -3.10 H2 - H2O(g) -1.51 -0.01 1.50 H2O - Halite -2.35 -0.78 1.57 NaCl - O2(g) -74.60 -77.50 -2.89 O2 + H2(g) -3.80 -6.90 -3.10 H2 + H2O(g) -1.53 -0.03 1.50 H2O + Halite -1.39 0.18 1.57 NaCl + O2(g) -75.73 -78.63 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -1337,7 +1338,7 @@ Mixture 1. Reaction 1. - 2.000e+02 moles of the following reaction have been added: + 6.000e+02 moles of the following reaction have been added: Relative Reactant moles @@ -1353,24 +1354,24 @@ Reaction 1. Elements Molality Moles - Cl 6.001e-01 6.001e+02 - Na 6.001e-01 6.001e+02 + Cl 1.800e+00 1.800e+03 + Na 1.800e+00 1.800e+03 ----------------------------Description of solution---------------------------- - pH = 6.971 Charge balance - pe = -1.280 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 54376 - Density (g/cm³) = 1.02090 - Volume (L) = 1013.88417 - Viscosity (mPa s) = 0.93820 - Activity of water = 0.980 - Ionic strength (mol/kgw) = 6.001e-01 + pH = 6.957 Charge balance + pe = 10.979 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 134522 + Density (g/cm³) = 1.06505 + Volume (L) = 1037.69796 + Viscosity (mPa s) = 1.05397 + Activity of water = 0.939 + Ionic strength (mol/kgw) = 1.800e+00 Mass of water (kg) = 1.000e+03 Total alkalinity (eq/kg) = 1.247e-09 Temperature (°C) = 25.00 Electrical Potential (Volt) = 0.50 - Electrical balance (eq) = -1.246e-06 + Electrical balance (eq) = -1.324e-06 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 4 Total H = 1.110124e+05 @@ -1381,28 +1382,28 @@ Reaction 1. Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - OH- 1.500e-07 9.274e-08 -6.824 -7.033 -0.209 -2.75 - H+ 1.410e-07 1.069e-07 -6.851 -6.971 -0.120 0.00 - H2O 5.551e+01 9.796e-01 1.744 -0.009 0.000 18.07 -Cl 6.001e-01 - Cl- 6.001e-01 3.829e-01 -0.222 -0.417 -0.195 18.75 - HCl 7.832e-09 1.410e-08 -8.106 -7.851 0.255 (0) -H(0) 5.122e-15 - H2 2.561e-15 2.940e-15 -14.592 -14.532 0.060 28.61 -Na 6.001e-01 - Na+ 6.001e-01 4.301e-01 -0.222 -0.366 -0.145 -0.56 - NaOH 3.474e-18 3.989e-18 -17.459 -17.399 0.060 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -63.395 -63.335 0.060 30.40 + OH- 1.598e-07 8.601e-08 -6.796 -7.065 -0.269 -0.91 + H+ 1.517e-07 1.105e-07 -6.819 -6.957 -0.138 0.00 + H2O 5.551e+01 9.388e-01 1.744 -0.027 0.000 18.07 +Cl 1.800e+00 + Cl- 1.800e+00 1.054e+00 0.255 0.023 -0.233 19.23 + HCl 6.871e-09 4.010e-08 -8.163 -7.397 0.766 (0) +H(0) 1.257e-39 + H2 6.285e-40 9.513e-40 -39.202 -39.022 0.180 28.61 +Na 1.800e+00 + Na+ 1.800e+00 1.440e+00 0.255 0.158 -0.097 0.06 + NaOH 8.183e-18 1.239e-17 -17.087 -16.907 0.180 (0) +O(0) 5.365e-15 + O2 2.682e-15 4.060e-15 -14.571 -14.391 0.180 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -11.43 -14.53 -3.10 H2 - H2O(g) -1.51 -0.01 1.50 H2O - Halite -2.35 -0.78 1.57 NaCl - O2(g) -60.44 -63.33 -2.89 O2 + H2(g) -35.92 -39.02 -3.10 H2 + H2O(g) -1.53 -0.03 1.50 H2O + Halite -1.39 0.18 1.57 NaCl + O2(g) -11.50 -14.39 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -1412,7 +1413,7 @@ Using reaction 2. Reaction 2. - 2.000e+02 moles of the following reaction have been added: + 6.000e+02 moles of the following reaction have been added: Relative Reactant moles @@ -1428,24 +1429,24 @@ Reaction 2. Elements Molality Moles - Cl 6.001e-01 6.001e+02 - Na 6.001e-01 6.001e+02 + Cl 1.800e+00 1.800e+03 + Na 1.800e+00 1.800e+03 ----------------------------Description of solution---------------------------- - pH = 6.882 Charge balance - pe = 12.705 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 54376 - Density (g/cm³) = 1.02090 - Volume (L) = 1013.88418 - Viscosity (mPa s) = 0.93820 - Activity of water = 0.980 - Ionic strength (mol/kgw) = 6.001e-01 + pH = 6.741 Charge balance + pe = 12.993 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 134522 + Density (g/cm³) = 1.06505 + Volume (L) = 1037.69796 + Viscosity (mPa s) = 1.05397 + Activity of water = 0.939 + Ionic strength (mol/kgw) = 1.800e+00 Mass of water (kg) = 1.000e+03 - Total alkalinity (eq/kg) = -6.008e-08 + Total alkalinity (eq/kg) = -1.635e-07 Temperature (°C) = 25.00 Electrical Potential (Volt) = 1.00 - Electrical balance (eq) = -1.248e-06 + Electrical balance (eq) = -1.253e-06 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 4 Total H = 1.110124e+05 @@ -1456,28 +1457,28 @@ Reaction 2. Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - H+ 1.729e-07 1.311e-07 -6.762 -6.882 -0.120 0.00 - OH- 1.224e-07 7.563e-08 -6.912 -7.121 -0.209 -2.75 - H2O 5.551e+01 9.796e-01 1.744 -0.009 0.000 18.07 -Cl 6.001e-01 - Cl- 6.001e-01 3.829e-01 -0.222 -0.417 -0.195 18.75 - HCl 9.603e-09 1.729e-08 -8.018 -7.762 0.255 (0) + H+ 2.495e-07 1.816e-07 -6.603 -6.741 -0.138 0.00 + OH- 9.721e-08 5.231e-08 -7.012 -7.281 -0.269 -0.91 + H2O 5.551e+01 9.388e-01 1.744 -0.027 0.000 18.07 +Cl 1.800e+00 + Cl- 1.800e+00 1.054e+00 0.255 0.023 -0.233 19.23 + HCl 1.130e-08 6.593e-08 -7.947 -7.181 0.766 (0) H(0) 0.000e+00 - H2 0.000e+00 0.000e+00 -42.385 -42.325 0.060 28.61 -Na 6.001e-01 - Na+ 6.001e-01 4.301e-01 -0.222 -0.366 -0.145 -0.56 - NaOH 2.833e-18 3.253e-18 -17.548 -17.488 0.060 (0) -O(0) 3.112e-08 - O2 1.556e-08 1.786e-08 -7.808 -7.748 0.060 30.40 + H2 0.000e+00 0.000e+00 -42.797 -42.617 0.180 28.61 +Na 1.800e+00 + Na+ 1.800e+00 1.440e+00 0.255 0.158 -0.097 0.06 + NaOH 4.977e-18 7.533e-18 -17.303 -17.123 0.180 (0) +O(0) 8.332e-08 + O2 4.166e-08 6.305e-08 -7.380 -7.200 0.180 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -39.22 -42.32 -3.10 H2 - H2O(g) -1.51 -0.01 1.50 H2O - Halite -2.35 -0.78 1.57 NaCl - O2(g) -4.86 -7.75 -2.89 O2 + H2(g) -39.52 -42.62 -3.10 H2 + H2O(g) -1.53 -0.03 1.50 H2O + Halite -1.39 0.18 1.57 NaCl + O2(g) -4.31 -7.20 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -1489,7 +1490,7 @@ Using reaction 0. Reaction 0. - 2.000e+02 moles of the following reaction have been added: + 6.000e+02 moles of the following reaction have been added: Relative Reactant moles @@ -1505,23 +1506,23 @@ Reaction 0. Elements Molality Moles - Cl 8.001e-01 8.001e+02 - Na 8.001e-01 8.001e+02 + Cl 2.400e+00 2.400e+03 + Na 2.400e+00 2.400e+03 ----------------------------Description of solution---------------------------- - pH = 7.133 Charge balance - pe = -5.137 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 69801 - Density (g/cm³) = 1.02854 - Volume (L) = 1017.71271 - Viscosity (mPa s) = 0.95529 - Activity of water = 0.973 - Ionic strength (mol/kgw) = 8.001e-01 + pH = 7.331 Charge balance + pe = -5.624 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 164777 + Density (g/cm³) = 1.08575 + Volume (L) = 1050.21610 + Viscosity (mPa s) = 1.12445 + Activity of water = 0.918 + Ionic strength (mol/kgw) = 2.400e+00 Mass of water (kg) = 1.000e+03 - Total alkalinity (eq/kg) = 1.205e-07 + Total alkalinity (eq/kg) = 3.162e-07 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.248e-06 + Electrical balance (eq) = -1.253e-06 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 4 Total H = 1.110124e+05 @@ -1532,28 +1533,28 @@ Reaction 0. Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - OH- 2.245e-07 1.337e-07 -6.649 -6.874 -0.225 -2.42 - H+ 9.822e-08 7.362e-08 -7.008 -7.133 -0.125 0.00 - H2O 5.551e+01 9.728e-01 1.744 -0.012 0.000 18.07 -Cl 8.001e-01 - Cl- 8.001e-01 4.966e-01 -0.097 -0.304 -0.207 18.85 - HCl 5.750e-09 1.259e-08 -8.240 -7.900 0.341 (0) -H(0) 1.197e-07 - H2 5.984e-08 7.195e-08 -7.223 -7.143 0.080 28.61 -Na 8.001e-01 - Na+ 8.001e-01 5.771e-01 -0.097 -0.239 -0.142 -0.42 - NaOH 6.420e-18 7.718e-18 -17.192 -17.112 0.080 (0) + OH- 3.830e-07 1.991e-07 -6.417 -6.701 -0.284 -0.06 + H+ 6.469e-08 4.669e-08 -7.189 -7.331 -0.142 0.00 + H2O 5.551e+01 9.184e-01 1.744 -0.037 0.000 18.07 +Cl 2.400e+00 + Cl- 2.400e+00 1.392e+00 0.380 0.144 -0.237 19.40 + HCl 2.130e-09 2.238e-08 -8.672 -7.650 1.021 (0) +H(0) 3.150e-07 + H2 1.575e-07 2.737e-07 -6.803 -6.563 0.240 28.61 +Na 2.400e+00 + Na+ 2.400e+00 2.090e+00 0.380 0.320 -0.060 0.28 + NaOH 2.395e-17 4.162e-17 -16.621 -16.381 0.240 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -78.198 -78.118 0.080 30.40 + O2 0.000e+00 0.000e+00 -79.568 -79.328 0.240 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -4.04 -7.14 -3.10 H2 - H2O(g) -1.51 -0.01 1.50 H2O - Halite -2.11 -0.54 1.57 NaCl - O2(g) -75.23 -78.12 -2.89 O2 + H2(g) -3.46 -6.56 -3.10 H2 + H2O(g) -1.54 -0.04 1.50 H2O + Halite -1.11 0.46 1.57 NaCl + O2(g) -76.44 -79.33 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -1569,7 +1570,7 @@ Mixture 1. Reaction 1. - 2.000e+02 moles of the following reaction have been added: + 6.000e+02 moles of the following reaction have been added: Relative Reactant moles @@ -1585,24 +1586,24 @@ Reaction 1. Elements Molality Moles - Cl 8.001e-01 8.001e+02 - Na 8.001e-01 8.001e+02 + Cl 2.400e+00 2.400e+03 + Na 2.400e+00 2.400e+03 ----------------------------Description of solution---------------------------- - pH = 6.968 Charge balance - pe = -0.962 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 69801 - Density (g/cm³) = 1.02854 - Volume (L) = 1017.71271 - Viscosity (mPa s) = 0.95529 - Activity of water = 0.973 - Ionic strength (mol/kgw) = 8.001e-01 + pH = 6.953 Charge balance + pe = 10.879 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 164777 + Density (g/cm³) = 1.08575 + Volume (L) = 1050.21611 + Viscosity (mPa s) = 1.12445 + Activity of water = 0.918 + Ionic strength (mol/kgw) = 2.400e+00 Mass of water (kg) = 1.000e+03 Total alkalinity (eq/kg) = 1.247e-09 Temperature (°C) = 25.00 Electrical Potential (Volt) = 0.50 - Electrical balance (eq) = -1.246e-06 + Electrical balance (eq) = -1.324e-06 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 4 Total H = 1.110124e+05 @@ -1613,28 +1614,28 @@ Reaction 1. Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - OH- 1.534e-07 9.139e-08 -6.814 -7.039 -0.225 -2.42 - H+ 1.437e-07 1.077e-07 -6.842 -6.968 -0.125 0.00 - H2O 5.551e+01 9.728e-01 1.744 -0.012 0.000 18.07 -Cl 8.001e-01 - Cl- 8.001e-01 4.966e-01 -0.097 -0.304 -0.207 18.85 - HCl 8.414e-09 1.843e-08 -8.075 -7.734 0.341 (0) -H(0) 1.149e-15 - H2 5.747e-16 6.910e-16 -15.241 -15.161 0.080 28.61 -Na 8.001e-01 - Na+ 8.001e-01 5.771e-01 -0.097 -0.239 -0.142 -0.42 - NaOH 4.387e-18 5.274e-18 -17.358 -17.278 0.080 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -62.163 -62.083 0.080 30.40 + OH- 1.606e-07 8.349e-08 -6.794 -7.078 -0.284 -0.06 + H+ 1.543e-07 1.113e-07 -6.812 -6.953 -0.142 0.00 + H2O 5.551e+01 9.184e-01 1.744 -0.037 0.000 18.07 +Cl 2.400e+00 + Cl- 2.400e+00 1.392e+00 0.380 0.144 -0.237 19.40 + HCl 5.080e-09 5.338e-08 -8.294 -7.273 1.021 (0) +H(0) 1.765e-39 + H2 8.824e-40 1.534e-39 -39.054 -38.814 0.240 28.61 +Na 2.400e+00 + Na+ 2.400e+00 2.090e+00 0.380 0.320 -0.060 0.28 + NaOH 1.004e-17 1.745e-17 -16.998 -16.758 0.240 (0) +O(0) 1.721e-15 + O2 8.604e-16 1.495e-15 -15.065 -14.825 0.240 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -12.06 -15.16 -3.10 H2 - H2O(g) -1.51 -0.01 1.50 H2O - Halite -2.11 -0.54 1.57 NaCl - O2(g) -59.19 -62.08 -2.89 O2 + H2(g) -35.71 -38.81 -3.10 H2 + H2O(g) -1.54 -0.04 1.50 H2O + Halite -1.11 0.46 1.57 NaCl + O2(g) -11.93 -14.83 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -1644,7 +1645,7 @@ Using reaction 2. Reaction 2. - 2.000e+02 moles of the following reaction have been added: + 6.000e+02 moles of the following reaction have been added: Relative Reactant moles @@ -1660,24 +1661,24 @@ Reaction 2. Elements Molality Moles - Cl 8.001e-01 8.001e+02 - Na 8.001e-01 8.001e+02 + Cl 2.400e+00 2.400e+03 + Na 2.400e+00 2.400e+03 ----------------------------Description of solution---------------------------- - pH = 6.802 Charge balance - pe = 12.863 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 69801 - Density (g/cm³) = 1.02854 - Volume (L) = 1017.71272 - Viscosity (mPa s) = 0.95529 - Activity of water = 0.973 - Ionic strength (mol/kgw) = 8.001e-01 + pH = 6.575 Charge balance + pe = 13.248 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 164777 + Density (g/cm³) = 1.08575 + Volume (L) = 1050.21611 + Viscosity (mPa s) = 1.12445 + Activity of water = 0.918 + Ionic strength (mol/kgw) = 2.400e+00 Mass of water (kg) = 1.000e+03 - Total alkalinity (eq/kg) = -1.180e-07 + Total alkalinity (eq/kg) = -3.137e-07 Temperature (°C) = 25.00 Electrical Potential (Volt) = 1.00 - Electrical balance (eq) = -1.248e-06 + Electrical balance (eq) = -1.253e-06 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 4 Total H = 1.110124e+05 @@ -1688,28 +1689,28 @@ Reaction 2. Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - H+ 2.105e-07 1.578e-07 -6.677 -6.802 -0.125 0.00 - OH- 1.048e-07 6.242e-08 -6.980 -7.205 -0.225 -2.42 - H2O 5.551e+01 9.728e-01 1.744 -0.012 0.000 18.07 -Cl 8.001e-01 - Cl- 8.001e-01 4.966e-01 -0.097 -0.304 -0.207 18.85 - HCl 1.232e-08 2.699e-08 -7.909 -7.569 0.341 (0) + H+ 3.687e-07 2.661e-07 -6.433 -6.575 -0.142 0.00 + OH- 6.719e-08 3.493e-08 -7.173 -7.457 -0.284 -0.06 + H2O 5.551e+01 9.184e-01 1.744 -0.037 0.000 18.07 +Cl 2.400e+00 + Cl- 2.400e+00 1.392e+00 0.380 0.144 -0.237 19.40 + HCl 1.214e-08 1.276e-07 -7.916 -6.894 1.021 (0) H(0) 0.000e+00 - H2 0.000e+00 0.000e+00 -42.561 -42.481 0.080 28.61 -Na 8.001e-01 - Na+ 8.001e-01 5.771e-01 -0.097 -0.239 -0.142 -0.42 - NaOH 2.996e-18 3.602e-18 -17.523 -17.443 0.080 (0) -O(0) 6.008e-08 - O2 3.004e-08 3.612e-08 -7.522 -7.442 0.080 30.40 + H2 0.000e+00 0.000e+00 -43.036 -42.796 0.240 28.61 +Na 2.400e+00 + Na+ 2.400e+00 2.090e+00 0.380 0.320 -0.060 0.28 + NaOH 4.201e-18 7.301e-18 -17.377 -17.137 0.240 (0) +O(0) 1.584e-07 + O2 7.919e-08 1.376e-07 -7.101 -6.861 0.240 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -39.38 -42.48 -3.10 H2 - H2O(g) -1.51 -0.01 1.50 H2O - Halite -2.11 -0.54 1.57 NaCl - O2(g) -4.55 -7.44 -2.89 O2 + H2(g) -39.70 -42.80 -3.10 H2 + H2O(g) -1.54 -0.04 1.50 H2O + Halite -1.11 0.46 1.57 NaCl + O2(g) -3.97 -6.86 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -1721,7 +1722,7 @@ Using reaction 0. Reaction 0. - 2.000e+02 moles of the following reaction have been added: + 6.000e+02 moles of the following reaction have been added: Relative Reactant moles @@ -1737,23 +1738,23 @@ Reaction 0. Elements Molality Moles - Cl 1.000e+00 1.000e+03 - Na 1.000e+00 1.000e+03 + Cl 3.000e+00 3.000e+03 + Na 3.000e+00 3.000e+03 ----------------------------Description of solution---------------------------- - pH = 7.221 Charge balance - pe = -5.340 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 84325 - Density (g/cm³) = 1.03606 - Volume (L) = 1021.60552 - Viscosity (mPa s) = 0.97322 - Activity of water = 0.966 - Ionic strength (mol/kgw) = 1.000e+00 + pH = 7.487 Charge balance + pe = -5.913 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 189441 + Density (g/cm³) = 1.10562 + Volume (L) = 1063.05481 + Viscosity (mPa s) = 1.20369 + Activity of water = 0.898 + Ionic strength (mol/kgw) = 3.000e+00 Mass of water (kg) = 1.000e+03 - Total alkalinity (eq/kg) = 1.954e-07 + Total alkalinity (eq/kg) = 5.045e-07 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.248e-06 + Electrical balance (eq) = -1.253e-06 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 4 Total H = 1.110124e+05 @@ -1764,28 +1765,28 @@ Reaction 0. Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - OH- 2.810e-07 1.627e-07 -6.551 -6.789 -0.237 -2.10 - H+ 8.085e-08 6.008e-08 -7.092 -7.221 -0.129 0.00 - H2O 5.551e+01 9.660e-01 1.744 -0.015 0.000 18.07 -Cl 1.000e+00 - Cl- 1.000e+00 6.087e-01 0.000 -0.216 -0.216 18.94 - HCl 4.728e-09 1.260e-08 -8.325 -7.900 0.426 (0) -H(0) 1.946e-07 - H2 9.731e-08 1.225e-07 -7.012 -6.912 0.100 28.61 -Na 1.000e+00 - Na+ 1.000e+00 7.313e-01 0.000 -0.136 -0.136 -0.31 - NaOH 9.453e-18 1.190e-17 -17.024 -16.924 0.100 (0) + OH- 5.509e-07 2.791e-07 -6.259 -6.554 -0.295 0.77 + H+ 4.540e-08 3.256e-08 -7.343 -7.487 -0.144 0.00 + H2O 5.551e+01 8.980e-01 1.744 -0.047 0.000 18.07 +Cl 3.000e+00 + Cl- 3.000e+00 1.738e+00 0.477 0.240 -0.237 19.55 + HCl 1.030e-09 1.949e-08 -8.987 -7.710 1.277 (0) +H(0) 5.033e-07 + H2 2.517e-07 5.021e-07 -6.599 -6.299 0.300 28.61 +Na 3.000e+00 + Na+ 3.000e+00 2.865e+00 0.477 0.457 -0.020 0.48 + NaOH 4.008e-17 7.998e-17 -16.397 -16.097 0.300 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -78.686 -78.586 0.100 30.40 + O2 0.000e+00 0.000e+00 -80.175 -79.875 0.300 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -3.81 -6.91 -3.10 H2 - H2O(g) -1.52 -0.02 1.50 H2O - Halite -1.92 -0.35 1.57 NaCl - O2(g) -75.69 -78.59 -2.89 O2 + H2(g) -3.20 -6.30 -3.10 H2 + H2O(g) -1.55 -0.05 1.50 H2O + Halite -0.87 0.70 1.57 NaCl + O2(g) -76.98 -79.88 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -1801,7 +1802,7 @@ Mixture 1. Reaction 1. - 2.000e+02 moles of the following reaction have been added: + 6.000e+02 moles of the following reaction have been added: Relative Reactant moles @@ -1817,24 +1818,24 @@ Reaction 1. Elements Molality Moles - Cl 1.000e+00 1.000e+03 - Na 1.000e+00 1.000e+03 + Cl 3.000e+00 3.000e+03 + Na 3.000e+00 3.000e+03 ----------------------------Description of solution---------------------------- - pH = 6.965 Charge balance - pe = -1.460 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 84325 - Density (g/cm³) = 1.03606 - Volume (L) = 1021.60552 - Viscosity (mPa s) = 0.97322 - Activity of water = 0.966 - Ionic strength (mol/kgw) = 1.000e+00 + pH = 6.952 Charge balance + pe = 11.037 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 189441 + Density (g/cm³) = 1.10562 + Volume (L) = 1063.05481 + Viscosity (mPa s) = 1.20369 + Activity of water = 0.898 + Ionic strength (mol/kgw) = 3.000e+00 Mass of water (kg) = 1.000e+03 Total alkalinity (eq/kg) = 1.247e-09 Temperature (°C) = 25.00 Electrical Potential (Volt) = 0.50 - Electrical balance (eq) = -1.247e-06 + Electrical balance (eq) = -1.324e-06 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 4 Total H = 1.110124e+05 @@ -1845,28 +1846,28 @@ Reaction 1. Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - OH- 1.557e-07 9.016e-08 -6.808 -7.045 -0.237 -2.10 - H+ 1.459e-07 1.084e-07 -6.836 -6.965 -0.129 0.00 - H2O 5.551e+01 9.660e-01 1.744 -0.015 0.000 18.07 -Cl 1.000e+00 - Cl- 1.000e+00 6.087e-01 0.000 -0.216 -0.216 18.94 - HCl 8.534e-09 2.274e-08 -8.069 -7.643 0.426 (0) -H(0) 1.098e-14 - H2 5.491e-15 6.912e-15 -14.260 -14.160 0.100 28.61 -Na 1.000e+00 - Na+ 1.000e+00 7.313e-01 0.000 -0.136 -0.136 -0.31 - NaOH 5.238e-18 6.594e-18 -17.281 -17.181 0.100 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -64.189 -64.089 0.100 30.40 + OH- 1.606e-07 8.135e-08 -6.794 -7.090 -0.295 0.77 + H+ 1.558e-07 1.117e-07 -6.807 -6.952 -0.144 0.00 + H2O 5.551e+01 8.980e-01 1.744 -0.047 0.000 18.07 +Cl 3.000e+00 + Cl- 3.000e+00 1.738e+00 0.477 0.240 -0.237 19.55 + HCl 3.536e-09 6.688e-08 -8.452 -7.175 1.277 (0) +H(0) 7.456e-40 + H2 3.728e-40 7.439e-40 -39.428 -39.128 0.300 28.61 +Na 3.000e+00 + Na+ 3.000e+00 2.865e+00 0.477 0.457 -0.020 0.48 + NaOH 1.168e-17 2.331e-17 -16.933 -16.632 0.300 (0) +O(0) 6.089e-15 + O2 3.045e-15 6.075e-15 -14.516 -14.216 0.300 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -11.06 -14.16 -3.10 H2 - H2O(g) -1.52 -0.02 1.50 H2O - Halite -1.92 -0.35 1.57 NaCl - O2(g) -61.20 -64.09 -2.89 O2 + H2(g) -36.03 -39.13 -3.10 H2 + H2O(g) -1.55 -0.05 1.50 H2O + Halite -0.87 0.70 1.57 NaCl + O2(g) -11.32 -14.22 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -1876,7 +1877,7 @@ Using reaction 2. Reaction 2. - 2.000e+02 moles of the following reaction have been added: + 6.000e+02 moles of the following reaction have been added: Relative Reactant moles @@ -1892,24 +1893,24 @@ Reaction 2. Elements Molality Moles - Cl 1.000e+00 1.000e+03 - Na 1.000e+00 1.000e+03 + Cl 3.000e+00 3.000e+03 + Na 3.000e+00 3.000e+03 ----------------------------Description of solution---------------------------- - pH = 6.708 Charge balance - pe = 13.017 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 84325 - Density (g/cm³) = 1.03606 - Volume (L) = 1021.60553 - Viscosity (mPa s) = 0.97322 - Activity of water = 0.966 - Ionic strength (mol/kgw) = 1.000e+00 + pH = 6.415 Charge balance + pe = 13.479 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 189441 + Density (g/cm³) = 1.10562 + Volume (L) = 1063.05482 + Viscosity (mPa s) = 1.20369 + Activity of water = 0.898 + Ionic strength (mol/kgw) = 3.000e+00 Mass of water (kg) = 1.000e+03 - Total alkalinity (eq/kg) = -1.929e-07 + Total alkalinity (eq/kg) = -5.020e-07 Temperature (°C) = 25.00 Electrical Potential (Volt) = 1.00 - Electrical balance (eq) = -1.248e-06 + Electrical balance (eq) = -1.253e-06 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 4 Total H = 1.110124e+05 @@ -1920,28 +1921,28 @@ Reaction 2. Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - H+ 2.637e-07 1.960e-07 -6.579 -6.708 -0.129 0.00 - OH- 8.616e-08 4.990e-08 -7.065 -7.302 -0.237 -2.10 - H2O 5.551e+01 9.660e-01 1.744 -0.015 0.000 18.07 -Cl 1.000e+00 - Cl- 1.000e+00 6.087e-01 0.000 -0.216 -0.216 18.94 - HCl 1.542e-08 4.109e-08 -7.812 -7.386 0.426 (0) + H+ 5.365e-07 3.848e-07 -6.270 -6.415 -0.144 0.00 + OH- 4.663e-08 2.362e-08 -7.331 -7.627 -0.295 0.77 + H2O 5.551e+01 8.980e-01 1.744 -0.047 0.000 18.07 +Cl 3.000e+00 + Cl- 3.000e+00 1.738e+00 0.477 0.240 -0.237 19.55 + HCl 1.218e-08 2.303e-07 -7.915 -6.638 1.277 (0) H(0) 0.000e+00 - H2 0.000e+00 0.000e+00 -42.699 -42.599 0.100 28.61 -Na 1.000e+00 - Na+ 1.000e+00 7.313e-01 0.000 -0.136 -0.136 -0.31 - NaOH 2.898e-18 3.649e-18 -17.538 -17.438 0.100 (0) -O(0) 9.754e-08 - O2 4.877e-08 6.140e-08 -7.312 -7.212 0.100 30.40 + H2 0.000e+00 0.000e+00 -43.237 -42.937 0.300 28.61 +Na 3.000e+00 + Na+ 3.000e+00 2.865e+00 0.477 0.457 -0.020 0.48 + NaOH 3.392e-18 6.768e-18 -17.470 -17.170 0.300 (0) +O(0) 2.526e-07 + O2 1.263e-07 2.520e-07 -6.899 -6.599 0.300 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -39.50 -42.60 -3.10 H2 - H2O(g) -1.52 -0.02 1.50 H2O - Halite -1.92 -0.35 1.57 NaCl - O2(g) -4.32 -7.21 -2.89 O2 + H2(g) -39.84 -42.94 -3.10 H2 + H2O(g) -1.55 -0.05 1.50 H2O + Halite -0.87 0.70 1.57 NaCl + O2(g) -3.71 -6.60 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -1953,7 +1954,7 @@ Using reaction 0. Reaction 0. - 2.000e+02 moles of the following reaction have been added: + 6.000e+02 moles of the following reaction have been added: Relative Reactant moles @@ -1969,23 +1970,23 @@ Reaction 0. Elements Molality Moles - Cl 1.200e+00 1.200e+03 - Na 1.200e+00 1.200e+03 + Cl 3.600e+00 3.600e+03 + Na 3.600e+00 3.600e+03 ----------------------------Description of solution---------------------------- - pH = 7.317 Charge balance - pe = -5.529 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 98017 - Density (g/cm³) = 1.04347 - Volume (L) = 1025.55523 - Viscosity (mPa s) = 0.99203 - Activity of water = 0.959 - Ionic strength (mol/kgw) = 1.200e+00 + pH = 7.628 Charge balance + pe = -6.163 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 209133 + Density (g/cm³) = 1.12472 + Volume (L) = 1076.17733 + Viscosity (mPa s) = 1.29186 + Activity of water = 0.878 + Ionic strength (mol/kgw) = 3.600e+00 Mass of water (kg) = 1.000e+03 - Total alkalinity (eq/kg) = 2.866e-07 + Total alkalinity (eq/kg) = 7.264e-07 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.248e-06 + Electrical balance (eq) = -1.253e-06 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 4 Total H = 1.110124e+05 @@ -1996,28 +1997,28 @@ Reaction 0. Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - OH- 3.557e-07 2.013e-07 -6.449 -6.696 -0.247 -1.80 - H+ 6.534e-08 4.824e-08 -7.185 -7.317 -0.132 0.00 - H2O 5.551e+01 9.592e-01 1.744 -0.018 0.000 18.07 -Cl 1.200e+00 - Cl- 1.200e+00 7.200e-01 0.079 -0.143 -0.222 19.03 - HCl 3.691e-09 1.197e-08 -8.433 -7.922 0.511 (0) -H(0) 2.858e-07 - H2 1.429e-07 1.884e-07 -6.845 -6.725 0.120 28.61 -Na 1.200e+00 - Na+ 1.200e+00 8.938e-01 0.079 -0.049 -0.128 -0.20 - NaOH 1.365e-17 1.799e-17 -16.865 -16.745 0.120 (0) + OH- 7.599e-07 3.772e-07 -6.119 -6.423 -0.304 1.58 + H+ 3.299e-08 2.355e-08 -7.482 -7.628 -0.146 0.00 + H2O 5.551e+01 8.776e-01 1.744 -0.057 0.000 18.07 +Cl 3.600e+00 + Cl- 3.600e+00 2.094e+00 0.556 0.321 -0.235 19.68 + HCl 4.987e-10 1.698e-08 -9.302 -7.770 1.532 (0) +H(0) 7.252e-07 + H2 3.626e-07 8.307e-07 -6.441 -6.081 0.360 28.61 +Na 3.600e+00 + Na+ 3.600e+00 3.788e+00 0.556 0.578 0.022 0.66 + NaOH 6.236e-17 1.429e-16 -16.205 -15.845 0.360 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -79.086 -78.966 0.120 30.40 + O2 0.000e+00 0.000e+00 -80.692 -80.332 0.360 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -3.62 -6.72 -3.10 H2 - H2O(g) -1.52 -0.02 1.50 H2O - Halite -1.76 -0.19 1.57 NaCl - O2(g) -76.07 -78.97 -2.89 O2 + H2(g) -2.98 -6.08 -3.10 H2 + H2O(g) -1.56 -0.06 1.50 H2O + Halite -0.67 0.90 1.57 NaCl + O2(g) -77.44 -80.33 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -2033,7 +2034,7 @@ Mixture 1. Reaction 1. - 2.000e+02 moles of the following reaction have been added: + 6.000e+02 moles of the following reaction have been added: Relative Reactant moles @@ -2049,24 +2050,24 @@ Reaction 1. Elements Molality Moles - Cl 1.200e+00 1.200e+03 - Na 1.200e+00 1.200e+03 + Cl 3.600e+00 3.600e+03 + Na 3.600e+00 3.600e+03 ----------------------------Description of solution---------------------------- - pH = 6.962 Charge balance - pe = -1.477 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 98017 - Density (g/cm³) = 1.04347 - Volume (L) = 1025.55523 - Viscosity (mPa s) = 0.99203 - Activity of water = 0.959 - Ionic strength (mol/kgw) = 1.200e+00 + pH = 6.952 Charge balance + pe = 10.975 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 209133 + Density (g/cm³) = 1.12472 + Volume (L) = 1076.17734 + Viscosity (mPa s) = 1.29186 + Activity of water = 0.878 + Ionic strength (mol/kgw) = 3.600e+00 Mass of water (kg) = 1.000e+03 Total alkalinity (eq/kg) = 1.247e-09 Temperature (°C) = 25.00 Electrical Potential (Volt) = 0.50 - Electrical balance (eq) = -1.247e-06 + Electrical balance (eq) = -1.324e-06 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 4 Total H = 1.110124e+05 @@ -2077,28 +2078,28 @@ Reaction 1. Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - OH- 1.573e-07 8.902e-08 -6.803 -7.050 -0.247 -1.80 - H+ 1.477e-07 1.091e-07 -6.831 -6.962 -0.132 0.00 - H2O 5.551e+01 9.592e-01 1.744 -0.018 0.000 18.07 -Cl 1.200e+00 - Cl- 1.200e+00 7.200e-01 0.079 -0.143 -0.222 19.03 - HCl 8.345e-09 2.705e-08 -8.079 -7.568 0.511 (0) -H(0) 1.148e-14 - H2 5.742e-15 7.569e-15 -14.241 -14.121 0.120 28.61 -Na 1.200e+00 - Na+ 1.200e+00 8.938e-01 0.079 -0.049 -0.128 -0.20 - NaOH 6.036e-18 7.957e-18 -17.219 -17.099 0.120 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -64.294 -64.174 0.120 30.40 + OH- 1.601e-07 7.950e-08 -6.795 -7.100 -0.304 1.58 + H+ 1.565e-07 1.117e-07 -6.805 -6.952 -0.146 0.00 + H2O 5.551e+01 8.776e-01 1.744 -0.057 0.000 18.07 +Cl 3.600e+00 + Cl- 3.600e+00 2.094e+00 0.556 0.321 -0.235 19.68 + HCl 2.366e-09 8.059e-08 -8.626 -7.094 1.532 (0) +H(0) 8.650e-40 + H2 4.325e-40 9.909e-40 -39.364 -39.004 0.360 28.61 +Na 3.600e+00 + Na+ 3.600e+00 3.788e+00 0.556 0.578 0.022 0.66 + NaOH 1.314e-17 3.011e-17 -16.881 -16.521 0.360 (0) +O(0) 2.855e-15 + O2 1.427e-15 3.270e-15 -14.845 -14.485 0.360 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -11.02 -14.12 -3.10 H2 - H2O(g) -1.52 -0.02 1.50 H2O - Halite -1.76 -0.19 1.57 NaCl - O2(g) -61.28 -64.17 -2.89 O2 + H2(g) -35.90 -39.00 -3.10 H2 + H2O(g) -1.56 -0.06 1.50 H2O + Halite -0.67 0.90 1.57 NaCl + O2(g) -11.59 -14.49 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -2108,7 +2109,7 @@ Using reaction 2. Reaction 2. - 2.000e+02 moles of the following reaction have been added: + 6.000e+02 moles of the following reaction have been added: Relative Reactant moles @@ -2124,24 +2125,24 @@ Reaction 2. Elements Molality Moles - Cl 1.200e+00 1.200e+03 - Na 1.200e+00 1.200e+03 + Cl 3.600e+00 3.600e+03 + Na 3.600e+00 3.600e+03 ----------------------------Description of solution---------------------------- - pH = 6.607 Charge balance - pe = 13.166 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 98018 - Density (g/cm³) = 1.04347 - Volume (L) = 1025.55523 - Viscosity (mPa s) = 0.99203 - Activity of water = 0.959 - Ionic strength (mol/kgw) = 1.200e+00 + pH = 6.274 Charge balance + pe = 13.680 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 209133 + Density (g/cm³) = 1.12472 + Volume (L) = 1076.17735 + Viscosity (mPa s) = 1.29186 + Activity of water = 0.878 + Ionic strength (mol/kgw) = 3.600e+00 Mass of water (kg) = 1.000e+03 - Total alkalinity (eq/kg) = -2.841e-07 + Total alkalinity (eq/kg) = -7.239e-07 Temperature (°C) = 25.00 Electrical Potential (Volt) = 1.00 - Electrical balance (eq) = -1.248e-06 + Electrical balance (eq) = -1.253e-06 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 4 Total H = 1.110124e+05 @@ -2152,28 +2153,28 @@ Reaction 2. Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - H+ 3.347e-07 2.471e-07 -6.475 -6.607 -0.132 0.00 - OH- 6.944e-08 3.930e-08 -7.158 -7.406 -0.247 -1.80 - H2O 5.551e+01 9.592e-01 1.744 -0.018 0.000 18.07 -Cl 1.200e+00 - Cl- 1.200e+00 7.200e-01 0.079 -0.143 -0.222 19.03 - HCl 1.891e-08 6.128e-08 -7.723 -7.213 0.511 (0) + H+ 7.462e-07 5.326e-07 -6.127 -6.274 -0.146 0.00 + OH- 3.360e-08 1.668e-08 -7.474 -7.778 -0.304 1.58 + H2O 5.551e+01 8.776e-01 1.744 -0.057 0.000 18.07 +Cl 3.600e+00 + Cl- 3.600e+00 2.094e+00 0.556 0.321 -0.235 19.68 + HCl 1.128e-08 3.842e-07 -7.948 -6.415 1.532 (0) H(0) 0.000e+00 - H2 0.000e+00 0.000e+00 -42.815 -42.695 0.120 28.61 -Na 1.200e+00 - Na+ 1.200e+00 8.938e-01 0.079 -0.049 -0.128 -0.20 - NaOH 2.664e-18 3.512e-18 -17.574 -17.454 0.120 (0) -O(0) 1.431e-07 - O2 7.157e-08 9.435e-08 -7.145 -7.025 0.120 30.40 + H2 0.000e+00 0.000e+00 -43.416 -43.056 0.360 28.61 +Na 3.600e+00 + Na+ 3.600e+00 3.788e+00 0.556 0.578 0.022 0.66 + NaOH 2.757e-18 6.317e-18 -17.560 -17.200 0.360 (0) +O(0) 3.635e-07 + O2 1.817e-07 4.164e-07 -6.741 -6.381 0.360 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -39.59 -42.70 -3.10 H2 - H2O(g) -1.52 -0.02 1.50 H2O - Halite -1.76 -0.19 1.57 NaCl - O2(g) -4.13 -7.03 -2.89 O2 + H2(g) -39.96 -43.06 -3.10 H2 + H2O(g) -1.56 -0.06 1.50 H2O + Halite -0.67 0.90 1.57 NaCl + O2(g) -3.49 -6.38 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -2185,7 +2186,7 @@ Using reaction 0. Reaction 0. - 2.000e+02 moles of the following reaction have been added: + 6.000e+02 moles of the following reaction have been added: Relative Reactant moles @@ -2201,23 +2202,23 @@ Reaction 0. Elements Molality Moles - Cl 1.400e+00 1.400e+03 - Na 1.400e+00 1.400e+03 + Cl 4.200e+00 4.200e+03 + Na 4.200e+00 4.200e+03 ----------------------------Description of solution---------------------------- - pH = 7.412 Charge balance - pe = -5.704 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 110925 - Density (g/cm³) = 1.05077 - Volume (L) = 1029.55647 - Viscosity (mPa s) = 1.01175 - Activity of water = 0.952 - Ionic strength (mol/kgw) = 1.400e+00 + pH = 7.751 Charge balance + pe = -6.381 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 224461 + Density (g/cm³) = 1.14309 + Volume (L) = 1089.55680 + Viscosity (mPa s) = 1.38910 + Activity of water = 0.857 + Ionic strength (mol/kgw) = 4.200e+00 Mass of water (kg) = 1.000e+03 - Total alkalinity (eq/kg) = 3.935e-07 + Total alkalinity (eq/kg) = 9.774e-07 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.248e-06 + Electrical balance (eq) = -1.253e-06 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 4 Total H = 1.110124e+05 @@ -2228,28 +2229,28 @@ Reaction 0. Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - OH- 4.490e-07 2.492e-07 -6.348 -6.603 -0.256 -1.50 - H+ 5.268e-08 3.868e-08 -7.278 -7.412 -0.134 0.00 - H2O 5.551e+01 9.524e-01 1.744 -0.021 0.000 18.07 -Cl 1.400e+00 - Cl- 1.400e+00 8.311e-01 0.146 -0.080 -0.227 19.10 - HCl 2.808e-09 1.107e-08 -8.552 -7.956 0.596 (0) -H(0) 3.927e-07 - H2 1.963e-07 2.710e-07 -6.707 -6.567 0.140 28.61 -Na 1.400e+00 - Na+ 1.400e+00 1.066e+00 0.146 0.028 -0.119 -0.11 - NaOH 1.924e-17 2.655e-17 -16.716 -16.576 0.140 (0) + OH- 1.003e-06 4.894e-07 -5.999 -6.310 -0.311 2.37 + H+ 2.493e-08 1.773e-08 -7.603 -7.751 -0.148 0.00 + H2O 5.551e+01 8.572e-01 1.744 -0.067 0.000 18.07 +Cl 4.200e+00 + Cl- 4.200e+00 2.461e+00 0.623 0.391 -0.232 19.80 + HCl 2.451e-10 1.503e-08 -9.611 -7.823 1.788 (0) +H(0) 9.762e-07 + H2 4.881e-07 1.284e-06 -6.311 -5.891 0.420 28.61 +Na 4.200e+00 + Na+ 4.200e+00 4.883e+00 0.623 0.689 0.065 0.82 + NaOH 9.086e-17 2.390e-16 -16.042 -15.622 0.420 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -79.428 -79.288 0.140 30.40 + O2 0.000e+00 0.000e+00 -81.151 -80.731 0.420 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -3.47 -6.57 -3.10 H2 - H2O(g) -1.52 -0.02 1.50 H2O - Halite -1.62 -0.05 1.57 NaCl - O2(g) -76.40 -79.29 -2.89 O2 + H2(g) -2.79 -5.89 -3.10 H2 + H2O(g) -1.57 -0.07 1.50 H2O + Halite -0.49 1.08 1.57 NaCl + O2(g) -77.84 -80.73 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -2265,7 +2266,7 @@ Mixture 1. Reaction 1. - 2.000e+02 moles of the following reaction have been added: + 6.000e+02 moles of the following reaction have been added: Relative Reactant moles @@ -2281,26 +2282,26 @@ Reaction 1. Elements Molality Moles - Cl 1.400e+00 1.400e+03 - Na 1.400e+00 1.400e+03 + Cl 4.200e+00 4.200e+03 + Na 4.200e+00 4.200e+03 ----------------------------Description of solution---------------------------- - pH = 6.960 Charge balance - pe = 10.887 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 110925 - Density (g/cm³) = 1.05077 - Volume (L) = 1029.55648 - Viscosity (mPa s) = 1.01175 - Activity of water = 0.952 - Ionic strength (mol/kgw) = 1.400e+00 + pH = 6.953 Charge balance + pe = 11.038 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 224461 + Density (g/cm³) = 1.14309 + Volume (L) = 1089.55681 + Viscosity (mPa s) = 1.38910 + Activity of water = 0.857 + Ionic strength (mol/kgw) = 4.200e+00 Mass of water (kg) = 1.000e+03 Total alkalinity (eq/kg) = 1.247e-09 Temperature (°C) = 25.00 Electrical Potential (Volt) = 0.50 - Electrical balance (eq) = -1.247e-06 + Electrical balance (eq) = -1.324e-06 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 13 + Iterations = 4 Total H = 1.110124e+05 Total O = 5.550622e+04 @@ -2309,28 +2310,28 @@ Reaction 1. Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - OH- 1.585e-07 8.796e-08 -6.800 -7.056 -0.256 -1.50 - H+ 1.493e-07 1.096e-07 -6.826 -6.960 -0.134 0.00 - H2O 5.551e+01 9.524e-01 1.744 -0.021 0.000 18.07 -Cl 1.400e+00 - Cl- 1.400e+00 8.311e-01 0.146 -0.080 -0.227 19.10 - HCl 7.957e-09 3.138e-08 -8.099 -7.503 0.596 (0) -H(0) 2.072e-39 - H2 1.036e-39 1.430e-39 -38.985 -38.845 0.140 28.61 -Na 1.400e+00 - Na+ 1.400e+00 1.066e+00 0.146 0.028 -0.119 -0.11 - NaOH 6.790e-18 9.373e-18 -17.168 -17.028 0.140 (0) -O(0) 2.678e-15 - O2 1.339e-15 1.849e-15 -14.873 -14.733 0.140 30.40 + OH- 1.595e-07 7.786e-08 -6.797 -7.109 -0.311 2.37 + H+ 1.567e-07 1.114e-07 -6.805 -6.953 -0.148 0.00 + H2O 5.551e+01 8.572e-01 1.744 -0.067 0.000 18.07 +Cl 4.200e+00 + Cl- 4.200e+00 2.461e+00 0.623 0.391 -0.232 19.80 + HCl 1.541e-09 9.448e-08 -8.812 -7.025 1.788 (0) +H(0) 5.612e-40 + H2 2.806e-40 7.380e-40 -39.552 -39.132 0.420 28.61 +Na 4.200e+00 + Na+ 4.200e+00 4.883e+00 0.623 0.689 0.065 0.82 + NaOH 1.445e-17 3.802e-17 -16.840 -16.420 0.420 (0) +O(0) 4.276e-15 + O2 2.138e-15 5.624e-15 -14.670 -14.250 0.420 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -35.74 -38.84 -3.10 H2 - H2O(g) -1.52 -0.02 1.50 H2O - Halite -1.62 -0.05 1.57 NaCl - O2(g) -11.84 -14.73 -2.89 O2 + H2(g) -36.03 -39.13 -3.10 H2 + H2O(g) -1.57 -0.07 1.50 H2O + Halite -0.49 1.08 1.57 NaCl + O2(g) -11.36 -14.25 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -2340,7 +2341,7 @@ Using reaction 2. Reaction 2. - 2.000e+02 moles of the following reaction have been added: + 6.000e+02 moles of the following reaction have been added: Relative Reactant moles @@ -2356,24 +2357,24 @@ Reaction 2. Elements Molality Moles - Cl 1.400e+00 1.400e+03 - Na 1.400e+00 1.400e+03 + Cl 4.200e+00 4.200e+03 + Na 4.200e+00 4.200e+03 ----------------------------Description of solution---------------------------- - pH = 6.507 Charge balance - pe = 13.307 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 110925 - Density (g/cm³) = 1.05077 - Volume (L) = 1029.55648 - Viscosity (mPa s) = 1.01175 - Activity of water = 0.952 - Ionic strength (mol/kgw) = 1.400e+00 + pH = 6.152 Charge balance + pe = 13.853 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 224461 + Density (g/cm³) = 1.14309 + Volume (L) = 1089.55683 + Viscosity (mPa s) = 1.38910 + Activity of water = 0.857 + Ionic strength (mol/kgw) = 4.200e+00 Mass of water (kg) = 1.000e+03 - Total alkalinity (eq/kg) = -3.910e-07 + Total alkalinity (eq/kg) = -9.749e-07 Temperature (°C) = 25.00 Electrical Potential (Volt) = 1.00 - Electrical balance (eq) = -1.248e-06 + Electrical balance (eq) = -1.253e-06 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 4 Total H = 1.110124e+05 @@ -2384,28 +2385,28 @@ Reaction 2. Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - H+ 4.241e-07 3.114e-07 -6.372 -6.507 -0.134 0.00 - OH- 5.577e-08 3.095e-08 -7.254 -7.509 -0.256 -1.50 - H2O 5.551e+01 9.524e-01 1.744 -0.021 0.000 18.07 -Cl 1.400e+00 - Cl- 1.400e+00 8.311e-01 0.146 -0.080 -0.227 19.10 - HCl 2.261e-08 8.916e-08 -7.646 -7.050 0.596 (0) + H+ 9.904e-07 7.043e-07 -6.004 -6.152 -0.148 0.00 + OH- 2.524e-08 1.232e-08 -7.598 -7.909 -0.311 2.37 + H2O 5.551e+01 8.572e-01 1.744 -0.067 0.000 18.07 +Cl 4.200e+00 + Cl- 4.200e+00 2.461e+00 0.623 0.391 -0.232 19.80 + HCl 9.738e-09 5.971e-07 -8.012 -6.224 1.788 (0) H(0) 0.000e+00 - H2 0.000e+00 0.000e+00 -42.917 -42.777 0.140 28.61 -Na 1.400e+00 - Na+ 1.400e+00 1.066e+00 0.146 0.028 -0.119 -0.11 - NaOH 2.389e-18 3.298e-18 -17.622 -17.482 0.140 (0) -O(0) 1.966e-07 - O2 9.828e-08 1.357e-07 -7.008 -6.868 0.140 30.40 + H2 0.000e+00 0.000e+00 -43.581 -43.161 0.420 28.61 +Na 4.200e+00 + Na+ 4.200e+00 4.883e+00 0.623 0.689 0.065 0.82 + NaOH 2.287e-18 6.016e-18 -17.641 -17.221 0.420 (0) +O(0) 4.890e-07 + O2 2.445e-07 6.431e-07 -6.612 -6.192 0.420 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -39.68 -42.78 -3.10 H2 - H2O(g) -1.52 -0.02 1.50 H2O - Halite -1.62 -0.05 1.57 NaCl - O2(g) -3.98 -6.87 -2.89 O2 + H2(g) -40.06 -43.16 -3.10 H2 + H2O(g) -1.57 -0.07 1.50 H2O + Halite -0.49 1.08 1.57 NaCl + O2(g) -3.30 -6.19 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -2417,7 +2418,7 @@ Using reaction 0. Reaction 0. - 2.000e+02 moles of the following reaction have been added: + 6.000e+02 moles of the following reaction have been added: Relative Reactant moles @@ -2433,23 +2434,23 @@ Reaction 0. Elements Molality Moles - Cl 1.600e+00 1.600e+03 - Na 1.600e+00 1.600e+03 + Cl 4.800e+00 4.800e+03 + Na 4.800e+00 4.800e+03 ----------------------------Description of solution---------------------------- - pH = 7.505 Charge balance - pe = -5.865 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 123083 - Density (g/cm³) = 1.05796 - Volume (L) = 1033.60515 - Viscosity (mPa s) = 1.03239 - Activity of water = 0.946 - Ionic strength (mol/kgw) = 1.600e+00 + pH = 7.859 Charge balance + pe = -6.573 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 236009 + Density (g/cm³) = 1.16077 + Volume (L) = 1103.17245 + Viscosity (mPa s) = 1.49549 + Activity of water = 0.837 + Ionic strength (mol/kgw) = 4.800e+00 Mass of water (kg) = 1.000e+03 - Total alkalinity (eq/kg) = 5.153e-07 + Total alkalinity (eq/kg) = 1.254e-06 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.248e-06 + Electrical balance (eq) = -1.253e-06 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 4 Total H = 1.110124e+05 @@ -2460,28 +2461,28 @@ Reaction 0. Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - OH- 5.603e-07 3.059e-07 -6.252 -6.514 -0.263 -1.20 - H+ 4.281e-08 3.129e-08 -7.368 -7.505 -0.136 0.00 - H2O 5.551e+01 9.456e-01 1.744 -0.024 0.000 18.07 -Cl 1.600e+00 - Cl- 1.600e+00 9.422e-01 0.204 -0.026 -0.230 19.17 - HCl 2.117e-09 1.016e-08 -8.674 -7.993 0.681 (0) -H(0) 5.145e-07 - H2 2.573e-07 3.719e-07 -6.590 -6.430 0.160 28.61 -Na 1.600e+00 - Na+ 1.600e+00 1.247e+00 0.204 0.096 -0.108 -0.02 - NaOH 2.639e-17 3.815e-17 -16.578 -16.418 0.160 (0) + OH- 1.273e-06 6.128e-07 -5.895 -6.213 -0.318 3.16 + H+ 1.950e-08 1.382e-08 -7.710 -7.859 -0.149 0.00 + H2O 5.551e+01 8.368e-01 1.744 -0.077 0.000 18.07 +Cl 4.800e+00 + Cl- 4.800e+00 2.841e+00 0.681 0.454 -0.228 19.90 + HCl 1.225e-10 1.353e-08 -9.912 -7.869 2.043 (0) +H(0) 1.252e-06 + H2 6.262e-07 1.891e-06 -6.203 -5.723 0.480 28.61 +Na 4.800e+00 + Na+ 4.800e+00 6.180e+00 0.681 0.791 0.110 0.97 + NaOH 1.254e-16 3.787e-16 -15.902 -15.422 0.480 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -79.729 -79.569 0.160 30.40 + O2 0.000e+00 0.000e+00 -81.568 -81.088 0.480 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -3.33 -6.43 -3.10 H2 - H2O(g) -1.53 -0.02 1.50 H2O - Halite -1.50 0.07 1.57 NaCl - O2(g) -76.68 -79.57 -2.89 O2 + H2(g) -2.62 -5.72 -3.10 H2 + H2O(g) -1.58 -0.08 1.50 H2O + Halite -0.33 1.24 1.57 NaCl + O2(g) -78.20 -81.09 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -2497,7 +2498,7 @@ Mixture 1. Reaction 1. - 2.000e+02 moles of the following reaction have been added: + 6.000e+02 moles of the following reaction have been added: Relative Reactant moles @@ -2513,26 +2514,26 @@ Reaction 1. Elements Molality Moles - Cl 1.600e+00 1.600e+03 - Na 1.600e+00 1.600e+03 + Cl 4.800e+00 4.800e+03 + Na 4.800e+00 4.800e+03 ----------------------------Description of solution---------------------------- - pH = 6.958 Charge balance - pe = 10.960 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 123083 - Density (g/cm³) = 1.05796 - Volume (L) = 1033.60515 - Viscosity (mPa s) = 1.03239 - Activity of water = 0.946 - Ionic strength (mol/kgw) = 1.600e+00 + pH = 6.955 Charge balance + pe = -1.839 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 236009 + Density (g/cm³) = 1.16077 + Volume (L) = 1103.17246 + Viscosity (mPa s) = 1.49549 + Activity of water = 0.837 + Ionic strength (mol/kgw) = 4.800e+00 Mass of water (kg) = 1.000e+03 Total alkalinity (eq/kg) = 1.247e-09 Temperature (°C) = 25.00 Electrical Potential (Volt) = 0.50 - Electrical balance (eq) = -1.247e-06 + Electrical balance (eq) = -1.323e-06 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 4 + Iterations = 16 Total H = 1.110124e+05 Total O = 5.550622e+04 @@ -2541,28 +2542,28 @@ Reaction 1. Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - OH- 1.593e-07 8.695e-08 -6.798 -7.061 -0.263 -1.20 - H+ 1.506e-07 1.101e-07 -6.822 -6.958 -0.136 0.00 - H2O 5.551e+01 9.456e-01 1.744 -0.024 0.000 18.07 -Cl 1.600e+00 - Cl- 1.600e+00 9.422e-01 0.204 -0.026 -0.230 19.17 - HCl 7.447e-09 3.573e-08 -8.128 -7.447 0.681 (0) -H(0) 1.426e-39 - H2 7.131e-40 1.031e-39 -39.147 -38.987 0.160 28.61 -Na 1.600e+00 - Na+ 1.600e+00 1.247e+00 0.204 0.096 -0.108 -0.02 - NaOH 7.504e-18 1.085e-17 -17.125 -16.965 0.160 (0) -O(0) 4.854e-15 - O2 2.427e-15 3.508e-15 -14.615 -14.455 0.160 30.40 + OH- 1.587e-07 7.638e-08 -6.799 -7.117 -0.318 3.16 + H+ 1.564e-07 1.109e-07 -6.806 -6.955 -0.149 0.00 + H2O 5.551e+01 8.368e-01 1.744 -0.077 0.000 18.07 +Cl 4.800e+00 + Cl- 4.800e+00 2.841e+00 0.681 0.454 -0.228 19.90 + HCl 9.833e-10 1.085e-07 -9.007 -6.964 2.043 (0) +H(0) 2.745e-14 + H2 1.372e-14 4.145e-14 -13.863 -13.383 0.480 28.61 +Na 4.800e+00 + Na+ 4.800e+00 6.180e+00 0.681 0.791 0.110 0.97 + NaOH 1.563e-17 4.720e-17 -16.806 -16.326 0.480 (0) +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -66.250 -65.770 0.480 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -35.89 -38.99 -3.10 H2 - H2O(g) -1.53 -0.02 1.50 H2O - Halite -1.50 0.07 1.57 NaCl - O2(g) -11.56 -14.45 -2.89 O2 + H2(g) -10.28 -13.38 -3.10 H2 + H2O(g) -1.58 -0.08 1.50 H2O + Halite -0.33 1.24 1.57 NaCl + O2(g) -62.88 -65.77 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -2572,7 +2573,7 @@ Using reaction 2. Reaction 2. - 2.000e+02 moles of the following reaction have been added: + 6.000e+02 moles of the following reaction have been added: Relative Reactant moles @@ -2588,24 +2589,24 @@ Reaction 2. Elements Molality Moles - Cl 1.600e+00 1.600e+03 - Na 1.600e+00 1.600e+03 + Cl 4.800e+00 4.800e+03 + Na 4.800e+00 4.800e+03 ----------------------------Description of solution---------------------------- - pH = 6.410 Charge balance - pe = 13.439 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 123083 - Density (g/cm³) = 1.05796 - Volume (L) = 1033.60516 - Viscosity (mPa s) = 1.03239 - Activity of water = 0.946 - Ionic strength (mol/kgw) = 1.600e+00 + pH = 6.048 Charge balance + pe = 14.005 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 236009 + Density (g/cm³) = 1.16077 + Volume (L) = 1103.17248 + Viscosity (mPa s) = 1.49549 + Activity of water = 0.837 + Ionic strength (mol/kgw) = 4.800e+00 Mass of water (kg) = 1.000e+03 - Total alkalinity (eq/kg) = -5.128e-07 + Total alkalinity (eq/kg) = -1.251e-06 Temperature (°C) = 25.00 Electrical Potential (Volt) = 1.00 - Electrical balance (eq) = -1.248e-06 + Electrical balance (eq) = -1.253e-06 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 4 Total H = 1.110124e+05 @@ -2616,28 +2617,28 @@ Reaction 2. Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - H+ 5.317e-07 3.886e-07 -6.274 -6.410 -0.136 0.00 - OH- 4.511e-08 2.463e-08 -7.346 -7.609 -0.263 -1.20 - H2O 5.551e+01 9.456e-01 1.744 -0.024 0.000 18.07 -Cl 1.600e+00 - Cl- 1.600e+00 9.422e-01 0.204 -0.026 -0.230 19.17 - HCl 2.629e-08 1.261e-07 -7.580 -6.899 0.681 (0) + H+ 1.263e-06 8.951e-07 -5.899 -6.048 -0.149 0.00 + OH- 1.966e-08 9.462e-09 -7.706 -8.024 -0.318 3.16 + H2O 5.551e+01 8.368e-01 1.744 -0.077 0.000 18.07 +Cl 4.800e+00 + Cl- 4.800e+00 2.841e+00 0.681 0.454 -0.228 19.90 + HCl 7.937e-09 8.761e-07 -8.100 -6.057 2.043 (0) H(0) 0.000e+00 - H2 0.000e+00 0.000e+00 -43.009 -42.849 0.160 28.61 -Na 1.600e+00 - Na+ 1.600e+00 1.247e+00 0.204 0.096 -0.108 -0.02 - NaOH 2.125e-18 3.072e-18 -17.673 -17.513 0.160 (0) -O(0) 2.575e-07 - O2 1.287e-07 1.861e-07 -6.890 -6.730 0.160 30.40 + H2 0.000e+00 0.000e+00 -43.736 -43.256 0.480 28.61 +Na 4.800e+00 + Na+ 4.800e+00 6.180e+00 0.681 0.791 0.110 0.97 + NaOH 1.936e-18 5.848e-18 -17.713 -17.233 0.480 (0) +O(0) 6.271e-07 + O2 3.135e-07 9.469e-07 -6.504 -6.024 0.480 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -39.75 -42.85 -3.10 H2 - H2O(g) -1.53 -0.02 1.50 H2O - Halite -1.50 0.07 1.57 NaCl - O2(g) -3.84 -6.73 -2.89 O2 + H2(g) -40.15 -43.26 -3.10 H2 + H2O(g) -1.58 -0.08 1.50 H2O + Halite -0.33 1.24 1.57 NaCl + O2(g) -3.13 -6.02 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -2649,7 +2650,7 @@ Using reaction 0. Reaction 0. - 2.000e+02 moles of the following reaction have been added: + 6.000e+02 moles of the following reaction have been added: Relative Reactant moles @@ -2665,23 +2666,23 @@ Reaction 0. Elements Molality Moles - Cl 1.800e+00 1.800e+03 - Na 1.800e+00 1.800e+03 + Cl 5.400e+00 5.400e+03 + Na 5.400e+00 5.400e+03 ----------------------------Description of solution---------------------------- - pH = 7.591 Charge balance - pe = -6.012 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 134522 - Density (g/cm³) = 1.06505 - Volume (L) = 1037.69795 - Viscosity (mPa s) = 1.05397 - Activity of water = 0.939 - Ionic strength (mol/kgw) = 1.800e+00 + pH = 7.955 Charge balance + pe = -6.745 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 244323 + Density (g/cm³) = 1.17779 + Volume (L) = 1117.00759 + Viscosity (mPa s) = 1.61113 + Activity of water = 0.816 + Ionic strength (mol/kgw) = 5.400e+00 Mass of water (kg) = 1.000e+03 - Total alkalinity (eq/kg) = 6.516e-07 + Total alkalinity (eq/kg) = 1.551e-06 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.248e-06 + Electrical balance (eq) = -1.253e-06 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 4 Total H = 1.110124e+05 @@ -2692,28 +2693,28 @@ Reaction 0. Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - OH- 6.884e-07 3.704e-07 -6.162 -6.431 -0.269 -0.91 - H+ 3.523e-08 2.565e-08 -7.453 -7.591 -0.138 0.00 - H2O 5.551e+01 9.388e-01 1.744 -0.027 0.000 18.07 -Cl 1.800e+00 - Cl- 1.800e+00 1.054e+00 0.255 0.023 -0.233 19.23 - HCl 1.595e-09 9.310e-09 -8.797 -8.031 0.766 (0) -H(0) 6.508e-07 - H2 3.254e-07 4.925e-07 -6.488 -6.308 0.180 28.61 -Na 1.800e+00 - Na+ 1.800e+00 1.440e+00 0.255 0.158 -0.097 0.06 - NaOH 3.524e-17 5.334e-17 -16.453 -16.273 0.180 (0) + OH- 1.567e-06 7.452e-07 -5.805 -6.128 -0.323 3.94 + H+ 1.568e-08 1.109e-08 -7.805 -7.955 -0.151 0.00 + H2O 5.551e+01 8.164e-01 1.744 -0.088 0.000 18.07 +Cl 5.400e+00 + Cl- 5.400e+00 3.235e+00 0.732 0.510 -0.222 20.00 + HCl 6.218e-11 1.236e-08 -10.206 -7.908 2.298 (0) +H(0) 1.550e-06 + H2 7.750e-07 2.687e-06 -6.111 -5.571 0.540 28.61 +Na 5.400e+00 + Na+ 5.400e+00 7.712e+00 0.732 0.887 0.155 1.12 + NaOH 1.657e-16 5.747e-16 -15.781 -15.241 0.540 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -80.000 -79.820 0.180 30.40 + O2 0.000e+00 0.000e+00 -81.955 -81.415 0.540 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -3.21 -6.31 -3.10 H2 - H2O(g) -1.53 -0.03 1.50 H2O - Halite -1.39 0.18 1.57 NaCl - O2(g) -76.93 -79.82 -2.89 O2 + H2(g) -2.47 -5.57 -3.10 H2 + H2O(g) -1.59 -0.09 1.50 H2O + Halite -0.17 1.40 1.57 NaCl + O2(g) -78.52 -81.41 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -2729,7 +2730,7 @@ Mixture 1. Reaction 1. - 2.000e+02 moles of the following reaction have been added: + 6.000e+02 moles of the following reaction have been added: Relative Reactant moles @@ -2745,24 +2746,24 @@ Reaction 1. Elements Molality Moles - Cl 1.800e+00 1.800e+03 - Na 1.800e+00 1.800e+03 + Cl 5.400e+00 5.400e+03 + Na 5.400e+00 5.400e+03 ----------------------------Description of solution---------------------------- - pH = 6.957 Charge balance - pe = 11.043 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 134522 - Density (g/cm³) = 1.06505 - Volume (L) = 1037.69796 - Viscosity (mPa s) = 1.05397 - Activity of water = 0.939 - Ionic strength (mol/kgw) = 1.800e+00 + pH = 6.958 Charge balance + pe = -1.778 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 244323 + Density (g/cm³) = 1.17779 + Volume (L) = 1117.00761 + Viscosity (mPa s) = 1.61113 + Activity of water = 0.816 + Ionic strength (mol/kgw) = 5.400e+00 Mass of water (kg) = 1.000e+03 Total alkalinity (eq/kg) = 1.247e-09 Temperature (°C) = 25.00 Electrical Potential (Volt) = 0.50 - Electrical balance (eq) = -1.247e-06 + Electrical balance (eq) = -1.323e-06 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 4 Total H = 1.110124e+05 @@ -2773,28 +2774,28 @@ Reaction 1. Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - OH- 1.598e-07 8.601e-08 -6.796 -7.065 -0.269 -0.91 - H+ 1.517e-07 1.105e-07 -6.819 -6.957 -0.138 0.00 - H2O 5.551e+01 9.388e-01 1.744 -0.027 0.000 18.07 -Cl 1.800e+00 - Cl- 1.800e+00 1.054e+00 0.255 0.023 -0.233 19.23 - HCl 6.871e-09 4.010e-08 -8.163 -7.397 0.766 (0) -H(0) 9.348e-40 - H2 4.674e-40 7.075e-40 -39.330 -39.150 0.180 28.61 -Na 1.800e+00 - Na+ 1.800e+00 1.440e+00 0.255 0.158 -0.097 0.06 - NaOH 8.183e-18 1.239e-17 -17.087 -16.907 0.180 (0) -O(0) 9.699e-15 - O2 4.850e-15 7.340e-15 -14.314 -14.134 0.180 30.40 + OH- 1.577e-07 7.500e-08 -6.802 -7.125 -0.323 3.94 + H+ 1.558e-07 1.102e-07 -6.807 -6.958 -0.151 0.00 + H2O 5.551e+01 8.164e-01 1.744 -0.088 0.000 18.07 +Cl 5.400e+00 + Cl- 5.400e+00 3.235e+00 0.732 0.510 -0.222 20.00 + HCl 6.179e-10 1.228e-07 -9.209 -6.911 2.298 (0) +H(0) 1.785e-14 + H2 8.924e-15 3.094e-14 -14.049 -13.509 0.540 28.61 +Na 5.400e+00 + Na+ 5.400e+00 7.712e+00 0.732 0.887 0.155 1.12 + NaOH 1.668e-17 5.784e-17 -16.778 -16.238 0.540 (0) +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -66.077 -65.537 0.540 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -36.05 -39.15 -3.10 H2 - H2O(g) -1.53 -0.03 1.50 H2O - Halite -1.39 0.18 1.57 NaCl - O2(g) -11.24 -14.13 -2.89 O2 + H2(g) -10.41 -13.51 -3.10 H2 + H2O(g) -1.59 -0.09 1.50 H2O + Halite -0.17 1.40 1.57 NaCl + O2(g) -62.64 -65.54 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -2804,7 +2805,7 @@ Using reaction 2. Reaction 2. - 2.000e+02 moles of the following reaction have been added: + 6.000e+02 moles of the following reaction have been added: Relative Reactant moles @@ -2820,24 +2821,24 @@ Reaction 2. Elements Molality Moles - Cl 1.800e+00 1.800e+03 - Na 1.800e+00 1.800e+03 + Cl 5.400e+00 5.400e+03 + Na 5.400e+00 5.400e+03 ----------------------------Description of solution---------------------------- - pH = 6.321 Charge balance - pe = 13.561 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 134522 - Density (g/cm³) = 1.06505 - Volume (L) = 1037.69797 - Viscosity (mPa s) = 1.05397 - Activity of water = 0.939 - Ionic strength (mol/kgw) = 1.800e+00 + pH = 5.958 Charge balance + pe = 14.138 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 244323 + Density (g/cm³) = 1.17779 + Volume (L) = 1117.00763 + Viscosity (mPa s) = 1.61113 + Activity of water = 0.816 + Ionic strength (mol/kgw) = 5.400e+00 Mass of water (kg) = 1.000e+03 - Total alkalinity (eq/kg) = -6.491e-07 + Total alkalinity (eq/kg) = -1.549e-06 Temperature (°C) = 25.00 Electrical Potential (Volt) = 1.00 - Electrical balance (eq) = -1.248e-06 + Electrical balance (eq) = -1.253e-06 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 4 Total H = 1.110124e+05 @@ -2848,28 +2849,28 @@ Reaction 2. Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - H+ 6.563e-07 4.779e-07 -6.183 -6.321 -0.138 0.00 - OH- 3.695e-08 1.988e-08 -7.432 -7.702 -0.269 -0.91 - H2O 5.551e+01 9.388e-01 1.744 -0.027 0.000 18.07 -Cl 1.800e+00 - Cl- 1.800e+00 1.054e+00 0.255 0.023 -0.233 19.23 - HCl 2.972e-08 1.735e-07 -7.527 -6.761 0.766 (0) + H+ 1.558e-06 1.102e-06 -5.807 -5.958 -0.151 0.00 + OH- 1.577e-08 7.501e-09 -7.802 -8.125 -0.323 3.94 + H2O 5.551e+01 8.164e-01 1.744 -0.088 0.000 18.07 +Cl 5.400e+00 + Cl- 5.400e+00 3.235e+00 0.732 0.510 -0.222 20.00 + HCl 6.178e-09 1.228e-06 -8.209 -5.911 2.298 (0) H(0) 0.000e+00 - H2 0.000e+00 0.000e+00 -43.093 -42.913 0.180 28.61 -Na 1.800e+00 - Na+ 1.800e+00 1.440e+00 0.255 0.158 -0.097 0.06 - NaOH 1.892e-18 2.863e-18 -17.723 -17.543 0.180 (0) -O(0) 3.256e-07 - O2 1.628e-07 2.464e-07 -6.788 -6.608 0.180 30.40 + H2 0.000e+00 0.000e+00 -43.883 -43.342 0.540 28.61 +Na 5.400e+00 + Na+ 5.400e+00 7.712e+00 0.732 0.887 0.155 1.12 + NaOH 1.668e-18 5.784e-18 -17.778 -17.238 0.540 (0) +O(0) 7.759e-07 + O2 3.879e-07 1.345e-06 -6.411 -5.871 0.540 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -39.81 -42.91 -3.10 H2 - H2O(g) -1.53 -0.03 1.50 H2O - Halite -1.39 0.18 1.57 NaCl - O2(g) -3.72 -6.61 -2.89 O2 + H2(g) -40.24 -43.34 -3.10 H2 + H2O(g) -1.59 -0.09 1.50 H2O + Halite -0.17 1.40 1.57 NaCl + O2(g) -2.98 -5.87 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -2881,7 +2882,7 @@ Using reaction 0. Reaction 0. - 2.000e+02 moles of the following reaction have been added: + 6.000e+02 moles of the following reaction have been added: Relative Reactant moles @@ -2897,25 +2898,25 @@ Reaction 0. Elements Molality Moles - Cl 2.000e+00 2.000e+03 - Na 2.000e+00 2.000e+03 + Cl 6.000e+00 6.000e+03 + Na 6.000e+00 6.000e+03 ----------------------------Description of solution---------------------------- - pH = 7.671 Charge balance - pe = -6.147 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 145267 - Density (g/cm³) = 1.07205 - Volume (L) = 1041.83218 - Viscosity (mPa s) = 1.07650 - Activity of water = 0.932 - Ionic strength (mol/kgw) = 2.000e+00 + pH = 8.041 Charge balance + pe = -6.901 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 249901 + Density (g/cm³) = 1.19417 + Volume (L) = 1131.04843 + Viscosity (mPa s) = 1.73610 + Activity of water = 0.796 + Ionic strength (mol/kgw) = 6.000e+00 Mass of water (kg) = 1.000e+03 - Total alkalinity (eq/kg) = 8.017e-07 + Total alkalinity (eq/kg) = 1.867e-06 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.236e-06 + Electrical balance (eq) = -1.253e-06 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 3 + Iterations = 4 Total H = 1.110124e+05 Total O = 5.550622e+04 @@ -2924,28 +2925,28 @@ Reaction 0. Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - OH- 8.323e-07 4.422e-07 -6.080 -6.354 -0.275 -0.62 - H+ 2.939e-08 2.133e-08 -7.532 -7.671 -0.139 0.00 - H2O 5.551e+01 9.320e-01 1.744 -0.031 0.000 18.07 -Cl 2.000e+00 - Cl- 2.000e+00 1.166e+00 0.301 0.067 -0.235 19.29 - HCl 1.207e-09 8.566e-09 -8.918 -8.067 0.851 (0) -H(0) 8.009e-07 - H2 4.005e-07 6.347e-07 -6.397 -6.197 0.200 28.61 -Na 2.000e+00 - Na+ 2.000e+00 1.644e+00 0.301 0.216 -0.085 0.14 - NaOH 4.587e-17 7.270e-17 -16.338 -16.138 0.200 (0) + OH- 1.880e-06 8.847e-07 -5.726 -6.053 -0.327 4.71 + H+ 1.291e-08 9.107e-09 -7.889 -8.041 -0.152 0.00 + H2O 5.551e+01 7.960e-01 1.744 -0.099 0.000 18.07 +Cl 6.000e+00 + Cl- 6.000e+00 3.644e+00 0.778 0.562 -0.217 20.09 + HCl 3.195e-11 1.143e-08 -10.496 -7.942 2.554 (0) +H(0) 1.866e-06 + H2 9.330e-07 3.714e-06 -6.030 -5.430 0.600 28.61 +Na 6.000e+00 + Na+ 6.000e+00 9.516e+00 0.778 0.978 0.200 1.25 + NaOH 2.115e-16 8.419e-16 -15.675 -15.075 0.600 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -80.246 -80.046 0.200 30.40 + O2 0.000e+00 0.000e+00 -82.318 -81.718 0.600 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -3.10 -6.20 -3.10 H2 - H2O(g) -1.53 -0.03 1.50 H2O - Halite -1.29 0.28 1.57 NaCl - O2(g) -77.15 -80.05 -2.89 O2 + H2(g) -2.33 -5.43 -3.10 H2 + H2O(g) -1.60 -0.10 1.50 H2O + Halite -0.03 1.54 1.57 NaCl + O2(g) -78.83 -81.72 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -2961,7 +2962,7 @@ Mixture 1. Reaction 1. - 2.000e+02 moles of the following reaction have been added: + 6.000e+02 moles of the following reaction have been added: Relative Reactant moles @@ -2977,26 +2978,26 @@ Reaction 1. Elements Molality Moles - Cl 2.000e+00 2.000e+03 - Na 2.000e+00 2.000e+03 + Cl 6.000e+00 6.000e+03 + Na 6.000e+00 6.000e+03 ----------------------------Description of solution---------------------------- - pH = 6.955 Charge balance - pe = 11.045 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 145267 - Density (g/cm³) = 1.07205 - Volume (L) = 1041.83219 - Viscosity (mPa s) = 1.07650 - Activity of water = 0.932 - Ionic strength (mol/kgw) = 2.000e+00 + pH = 6.961 Charge balance + pe = -1.707 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 249901 + Density (g/cm³) = 1.19417 + Volume (L) = 1131.04845 + Viscosity (mPa s) = 1.73610 + Activity of water = 0.796 + Ionic strength (mol/kgw) = 6.000e+00 Mass of water (kg) = 1.000e+03 Total alkalinity (eq/kg) = 1.247e-09 Temperature (°C) = 25.00 Electrical Potential (Volt) = 0.50 - Electrical balance (eq) = -1.236e-06 + Electrical balance (eq) = -1.323e-06 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 3 + Iterations = 4 Total H = 1.110124e+05 Total O = 5.550622e+04 @@ -3005,28 +3006,28 @@ Reaction 1. Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - OH- 1.602e-07 8.512e-08 -6.795 -7.070 -0.275 -0.62 - H+ 1.527e-07 1.108e-07 -6.816 -6.955 -0.139 0.00 - H2O 5.551e+01 9.320e-01 1.744 -0.031 0.000 18.07 -Cl 2.000e+00 - Cl- 2.000e+00 1.166e+00 0.301 0.067 -0.235 19.29 - HCl 6.268e-09 4.450e-08 -8.203 -7.352 0.851 (0) -H(0) 8.913e-40 - H2 4.457e-40 7.064e-40 -39.351 -39.151 0.200 28.61 -Na 2.000e+00 - Na+ 2.000e+00 1.644e+00 0.301 0.216 -0.085 0.14 - NaOH 8.830e-18 1.400e-17 -17.054 -16.854 0.200 (0) -O(0) 9.158e-15 - O2 4.579e-15 7.258e-15 -14.339 -14.139 0.200 30.40 + OH- 1.566e-07 7.370e-08 -6.805 -7.133 -0.327 4.71 + H+ 1.550e-07 1.093e-07 -6.810 -6.961 -0.152 0.00 + H2O 5.551e+01 7.960e-01 1.744 -0.099 0.000 18.07 +Cl 6.000e+00 + Cl- 6.000e+00 3.644e+00 0.778 0.562 -0.217 20.09 + HCl 3.835e-10 1.372e-07 -9.416 -6.863 2.554 (0) +H(0) 1.101e-14 + H2 5.507e-15 2.192e-14 -14.259 -13.659 0.600 28.61 +Na 6.000e+00 + Na+ 6.000e+00 9.516e+00 0.778 0.978 0.200 1.25 + NaOH 1.762e-17 7.013e-17 -16.754 -16.154 0.600 (0) +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -65.860 -65.260 0.600 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -36.05 -39.15 -3.10 H2 - H2O(g) -1.53 -0.03 1.50 H2O - Halite -1.29 0.28 1.57 NaCl - O2(g) -11.25 -14.14 -2.89 O2 + H2(g) -10.56 -13.66 -3.10 H2 + H2O(g) -1.60 -0.10 1.50 H2O + Halite -0.03 1.54 1.57 NaCl + O2(g) -62.37 -65.26 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -3036,7 +3037,7 @@ Using reaction 2. Reaction 2. - 2.000e+02 moles of the following reaction have been added: + 6.000e+02 moles of the following reaction have been added: Relative Reactant moles @@ -3052,26 +3053,26 @@ Reaction 2. Elements Molality Moles - Cl 2.000e+00 2.000e+03 - Na 2.000e+00 2.000e+03 + Cl 6.000e+00 6.000e+03 + Na 6.000e+00 6.000e+03 ----------------------------Description of solution---------------------------- - pH = 6.238 Charge balance - pe = 13.673 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 145267 - Density (g/cm³) = 1.07205 - Volume (L) = 1041.83220 - Viscosity (mPa s) = 1.07650 - Activity of water = 0.932 - Ionic strength (mol/kgw) = 2.000e+00 + pH = 5.879 Charge balance + pe = 14.258 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 249901 + Density (g/cm³) = 1.19417 + Volume (L) = 1131.04848 + Viscosity (mPa s) = 1.73610 + Activity of water = 0.796 + Ionic strength (mol/kgw) = 6.000e+00 Mass of water (kg) = 1.000e+03 - Total alkalinity (eq/kg) = -7.992e-07 + Total alkalinity (eq/kg) = -1.865e-06 Temperature (°C) = 25.00 Electrical Potential (Volt) = 1.00 - Electrical balance (eq) = -1.236e-06 + Electrical balance (eq) = -1.253e-06 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 3 + Iterations = 4 Total H = 1.110124e+05 Total O = 5.550622e+04 @@ -3080,28 +3081,28 @@ Reaction 2. Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - H+ 7.972e-07 5.786e-07 -6.098 -6.238 -0.139 0.00 - OH- 3.069e-08 1.630e-08 -7.513 -7.788 -0.275 -0.62 - H2O 5.551e+01 9.320e-01 1.744 -0.031 0.000 18.07 -Cl 2.000e+00 - Cl- 2.000e+00 1.166e+00 0.301 0.067 -0.235 19.29 - HCl 3.272e-08 2.323e-07 -7.485 -6.634 0.851 (0) + H+ 1.873e-06 1.321e-06 -5.727 -5.879 -0.152 0.00 + OH- 1.296e-08 6.098e-09 -7.887 -8.215 -0.327 4.71 + H2O 5.551e+01 7.960e-01 1.744 -0.099 0.000 18.07 +Cl 6.000e+00 + Cl- 6.000e+00 3.644e+00 0.778 0.562 -0.217 20.09 + HCl 4.634e-09 1.658e-06 -8.334 -5.780 2.554 (0) H(0) 0.000e+00 - H2 0.000e+00 0.000e+00 -43.171 -42.971 0.200 28.61 -Na 2.000e+00 - Na+ 2.000e+00 1.644e+00 0.301 0.216 -0.085 0.14 - NaOH 1.691e-18 2.681e-18 -17.772 -17.572 0.200 (0) -O(0) 4.007e-07 - O2 2.003e-07 3.175e-07 -6.698 -6.498 0.200 30.40 + H2 0.000e+00 0.000e+00 -44.024 -43.424 0.600 28.61 +Na 6.000e+00 + Na+ 6.000e+00 9.516e+00 0.778 0.978 0.200 1.25 + NaOH 1.458e-18 5.803e-18 -17.836 -17.236 0.600 (0) +O(0) 9.339e-07 + O2 4.669e-07 1.859e-06 -6.331 -5.731 0.600 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -39.87 -42.97 -3.10 H2 - H2O(g) -1.53 -0.03 1.50 H2O - Halite -1.29 0.28 1.57 NaCl - O2(g) -3.61 -6.50 -2.89 O2 + H2(g) -40.32 -43.42 -3.10 H2 + H2O(g) -1.60 -0.10 1.50 H2O + Halite -0.03 1.54 1.57 NaCl + O2(g) -2.84 -5.73 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -3113,7 +3114,7 @@ Using reaction 0. Reaction 0. - 2.000e+02 moles of the following reaction have been added: + 6.000e+02 moles of the following reaction have been added: Relative Reactant moles @@ -3129,23 +3130,23 @@ Reaction 0. Elements Molality Moles - Cl 2.200e+00 2.200e+03 - Na 2.200e+00 2.200e+03 + Cl 6.600e+00 6.600e+03 + Na 6.600e+00 6.600e+03 ----------------------------Description of solution---------------------------- - pH = 7.745 Charge balance - pe = -6.272 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 155345 - Density (g/cm³) = 1.07894 - Volume (L) = 1046.00554 - Viscosity (mPa s) = 1.09999 - Activity of water = 0.925 - Ionic strength (mol/kgw) = 2.200e+00 + pH = 8.118 Charge balance + pe = -7.043 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 253191 + Density (g/cm³) = 1.20994 + Volume (L) = 1145.28331 + Viscosity (mPa s) = 1.87046 + Activity of water = 0.776 + Ionic strength (mol/kgw) = 6.600e+00 Mass of water (kg) = 1.000e+03 - Total alkalinity (eq/kg) = 9.651e-07 + Total alkalinity (eq/kg) = 2.198e-06 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.231e-06 + Electrical balance (eq) = -1.233e-06 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+05 @@ -3156,28 +3157,28 @@ Reaction 0. Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - OH- 9.909e-07 5.205e-07 -6.004 -6.284 -0.280 -0.34 - H+ 2.486e-08 1.799e-08 -7.604 -7.745 -0.140 0.00 - H2O 5.551e+01 9.252e-01 1.744 -0.034 0.000 18.07 -Cl 2.200e+00 - Cl- 2.200e+00 1.278e+00 0.342 0.107 -0.236 19.35 - HCl 9.173e-10 7.922e-09 -9.038 -8.101 0.936 (0) -H(0) 9.643e-07 - H2 4.822e-07 8.002e-07 -6.317 -6.097 0.220 28.61 -Na 2.200e+00 - Na+ 2.200e+00 1.861e+00 0.342 0.270 -0.073 0.21 - NaOH 5.835e-17 9.684e-17 -16.234 -16.014 0.220 (0) + OH- 2.209e-06 1.030e-06 -5.656 -5.987 -0.331 5.48 + H+ 1.083e-08 7.622e-09 -7.966 -8.118 -0.152 0.00 + H2O 5.551e+01 7.756e-01 1.744 -0.110 0.000 18.07 +Cl 6.600e+00 + Cl- 6.600e+00 4.067e+00 0.820 0.609 -0.210 20.18 + HCl 1.658e-11 1.068e-08 -10.780 -7.971 2.809 (0) +H(0) 2.197e-06 + H2 1.099e-06 5.022e-06 -5.959 -5.299 0.660 28.61 +Na 6.600e+00 + Na+ 6.600e+00 1.164e+01 0.820 1.066 0.246 1.38 + NaOH 2.622e-16 1.199e-15 -15.581 -14.921 0.660 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -80.474 -80.254 0.220 30.40 + O2 0.000e+00 0.000e+00 -82.662 -82.002 0.660 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -3.00 -6.10 -3.10 H2 - H2O(g) -1.54 -0.03 1.50 H2O - Halite -1.19 0.38 1.57 NaCl - O2(g) -77.36 -80.25 -2.89 O2 + H2(g) -2.20 -5.30 -3.10 H2 + H2O(g) -1.61 -0.11 1.50 H2O + Halite 0.11 1.68 1.57 NaCl + O2(g) -79.11 -82.00 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -3193,7 +3194,7 @@ Mixture 1. Reaction 1. - 2.000e+02 moles of the following reaction have been added: + 6.000e+02 moles of the following reaction have been added: Relative Reactant moles @@ -3209,24 +3210,24 @@ Reaction 1. Elements Molality Moles - Cl 2.200e+00 2.200e+03 - Na 2.200e+00 2.200e+03 + Cl 6.600e+00 6.600e+03 + Na 6.600e+00 6.600e+03 ----------------------------Description of solution---------------------------- - pH = 6.954 Charge balance - pe = 11.066 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 155345 - Density (g/cm³) = 1.07894 - Volume (L) = 1046.00556 - Viscosity (mPa s) = 1.09999 - Activity of water = 0.925 - Ionic strength (mol/kgw) = 2.200e+00 + pH = 6.965 Charge balance + pe = -1.912 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 253190 + Density (g/cm³) = 1.20994 + Volume (L) = 1145.28333 + Viscosity (mPa s) = 1.87046 + Activity of water = 0.776 + Ionic strength (mol/kgw) = 6.600e+00 Mass of water (kg) = 1.000e+03 Total alkalinity (eq/kg) = 1.247e-09 Temperature (°C) = 25.00 Electrical Potential (Volt) = 0.50 - Electrical balance (eq) = -1.230e-06 + Electrical balance (eq) = -1.304e-06 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+05 @@ -3237,28 +3238,28 @@ Reaction 1. Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - OH- 1.605e-07 8.428e-08 -6.795 -7.074 -0.280 -0.34 - H+ 1.535e-07 1.111e-07 -6.814 -6.954 -0.140 0.00 - H2O 5.551e+01 9.252e-01 1.744 -0.034 0.000 18.07 -Cl 2.200e+00 - Cl- 2.200e+00 1.278e+00 0.342 0.107 -0.236 19.35 - HCl 5.665e-09 4.893e-08 -8.247 -7.310 0.936 (0) -H(0) 7.768e-40 - H2 3.884e-40 6.446e-40 -39.411 -39.191 0.220 28.61 -Na 2.200e+00 - Na+ 2.200e+00 1.861e+00 0.342 0.270 -0.073 0.21 - NaOH 9.449e-18 1.568e-17 -17.025 -16.805 0.220 (0) -O(0) 1.035e-14 - O2 5.175e-15 8.589e-15 -14.286 -14.066 0.220 30.40 + OH- 1.554e-07 7.245e-08 -6.809 -7.140 -0.331 5.48 + H+ 1.539e-07 1.084e-07 -6.813 -6.965 -0.152 0.00 + H2O 5.551e+01 7.756e-01 1.744 -0.110 0.000 18.07 +Cl 6.600e+00 + Cl- 6.600e+00 4.067e+00 0.820 0.609 -0.210 20.18 + HCl 2.357e-10 1.518e-07 -9.628 -6.819 2.809 (0) +H(0) 2.425e-14 + H2 1.213e-14 5.543e-14 -13.916 -13.256 0.660 28.61 +Na 6.600e+00 + Na+ 6.600e+00 1.164e+01 0.820 1.066 0.246 1.38 + NaOH 1.845e-17 8.431e-17 -16.734 -16.074 0.660 (0) +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -66.748 -66.088 0.660 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -36.09 -39.19 -3.10 H2 - H2O(g) -1.54 -0.03 1.50 H2O - Halite -1.19 0.38 1.57 NaCl - O2(g) -11.17 -14.07 -2.89 O2 + H2(g) -10.16 -13.26 -3.10 H2 + H2O(g) -1.61 -0.11 1.50 H2O + Halite 0.11 1.68 1.57 NaCl + O2(g) -63.20 -66.09 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -3268,7 +3269,7 @@ Using reaction 2. Reaction 2. - 2.000e+02 moles of the following reaction have been added: + 6.000e+02 moles of the following reaction have been added: Relative Reactant moles @@ -3284,24 +3285,24 @@ Reaction 2. Elements Molality Moles - Cl 2.200e+00 2.200e+03 - Na 2.200e+00 2.200e+03 + Cl 6.600e+00 6.600e+03 + Na 6.600e+00 6.600e+03 ----------------------------Description of solution---------------------------- - pH = 6.161 Charge balance - pe = 13.776 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 155345 - Density (g/cm³) = 1.07894 - Volume (L) = 1046.00557 - Viscosity (mPa s) = 1.09999 - Activity of water = 0.925 - Ionic strength (mol/kgw) = 2.200e+00 + pH = 5.809 Charge balance + pe = 14.366 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 253191 + Density (g/cm³) = 1.20994 + Volume (L) = 1145.28336 + Viscosity (mPa s) = 1.87046 + Activity of water = 0.776 + Ionic strength (mol/kgw) = 6.600e+00 Mass of water (kg) = 1.000e+03 - Total alkalinity (eq/kg) = -9.626e-07 + Total alkalinity (eq/kg) = -2.196e-06 Temperature (°C) = 25.00 Electrical Potential (Volt) = 1.00 - Electrical balance (eq) = -1.231e-06 + Electrical balance (eq) = -1.233e-06 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+05 @@ -3312,28 +3313,28 @@ Reaction 2. Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - H+ 9.533e-07 6.898e-07 -6.021 -6.161 -0.140 0.00 - OH- 2.584e-08 1.357e-08 -7.588 -7.867 -0.280 -0.34 - H2O 5.551e+01 9.252e-01 1.744 -0.034 0.000 18.07 -Cl 2.200e+00 - Cl- 2.200e+00 1.278e+00 0.342 0.107 -0.236 19.35 - HCl 3.517e-08 3.038e-07 -7.454 -6.517 0.936 (0) + H+ 2.203e-06 1.551e-06 -5.657 -5.809 -0.152 0.00 + OH- 1.086e-08 5.061e-09 -7.964 -8.296 -0.331 5.48 + H2O 5.551e+01 7.756e-01 1.744 -0.110 0.000 18.07 +Cl 6.600e+00 + Cl- 6.600e+00 4.067e+00 0.820 0.609 -0.210 20.18 + HCl 3.374e-09 2.173e-06 -8.472 -5.663 2.809 (0) H(0) 0.000e+00 - H2 0.000e+00 0.000e+00 -43.245 -43.025 0.220 28.61 -Na 2.200e+00 - Na+ 2.200e+00 1.861e+00 0.342 0.270 -0.073 0.21 - NaOH 1.522e-18 2.526e-18 -17.818 -17.598 0.220 (0) -O(0) 4.824e-07 - O2 2.412e-07 4.003e-07 -6.618 -6.398 0.220 30.40 + H2 0.000e+00 0.000e+00 -44.160 -43.500 0.660 28.61 +Na 6.600e+00 + Na+ 6.600e+00 1.164e+01 0.820 1.066 0.246 1.38 + NaOH 1.288e-18 5.890e-18 -17.890 -17.230 0.660 (0) +O(0) 1.100e-06 + O2 5.498e-07 2.513e-06 -6.260 -5.600 0.660 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -39.92 -43.02 -3.10 H2 - H2O(g) -1.54 -0.03 1.50 H2O - Halite -1.19 0.38 1.57 NaCl - O2(g) -3.51 -6.40 -2.89 O2 + H2(g) -40.40 -43.50 -3.10 H2 + H2O(g) -1.61 -0.11 1.50 H2O + Halite 0.11 1.68 1.57 NaCl + O2(g) -2.71 -5.60 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -3344,5 +3345,4930 @@ End of simulation. ------------------------------------ Reading input data for simulation 5. +------------------------------------ + + USER_GRAPH 1 + -active false + -connect_simulations false + SOLUTION 0-1 + water 1e3 + Cl 0.1 + Na 0.1 + SOLUTION 2 + water 1e3 + Cl 0.1 + Na 0.1 + potential 1 + END +------------------------------------------- +Beginning of initial solution calculations. +------------------------------------------- + +Initial solution 0. + +-----------------------------Solution composition------------------------------ + + Elements Molality Moles + + Cl 1.000e-04 1.000e-01 + Na 1.000e-04 1.000e-01 + +----------------------------Description of solution---------------------------- + + pH = 7.000 + pe = 4.000 + Specific Conductance (µS/cm, 25°C) = 12 + Density (g/cm³) = 0.99705 + Volume (L) = 1002.96741 + Viscosity (mPa s) = 0.89008 + Activity of water = 1.000 + Ionic strength (mol/kgw) = 1.001e-04 + Mass of water (kg) = 1.000e+03 + Total alkalinity (eq/kg) = 1.247e-09 + Temperature (°C) = 25.00 + Electrical balance (eq) = -1.247e-06 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Iterations = 2 + Total H = 1.110124e+05 + Total O = 5.550622e+04 + +----------------------------Distribution of species---------------------------- + + Log Log Log mole V + Species Molality Activity Molality Activity Gamma cm³/mol + + OH- 1.024e-07 1.012e-07 -6.990 -6.995 -0.005 -4.13 + H+ 1.011e-07 1.000e-07 -6.995 -7.000 -0.005 0.00 + H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07 +Cl 1.000e-04 + Cl- 1.000e-04 9.885e-05 -4.000 -4.005 -0.005 18.05 + HCl 3.405e-12 3.405e-12 -11.468 -11.468 0.000 (0) +H(0) 1.416e-25 + H2 7.079e-26 7.079e-26 -25.150 -25.150 0.000 28.61 +Na 1.000e-04 + Na+ 1.000e-04 9.885e-05 -4.000 -4.005 -0.005 -1.51 + NaOH 1.000e-21 1.001e-21 -21.000 -21.000 0.000 (0) +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -42.080 -42.080 0.000 30.40 + +------------------------------Saturation indices------------------------------- + + Phase SI** log IAP log K(298 K, 1 atm) + + H2(g) -22.05 -25.15 -3.10 H2 + H2O(g) -1.50 -0.00 1.50 H2O + Halite -9.58 -8.01 1.57 NaCl + O2(g) -39.19 -42.08 -2.89 O2 + +**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. + For ideal gases, phi = 1. + +Initial solution 2. + +-----------------------------Solution composition------------------------------ + + Elements Molality Moles + + Cl 1.000e-04 1.000e-01 + Na 1.000e-04 1.000e-01 + +----------------------------Description of solution---------------------------- + + pH = 7.000 + pe = 4.000 + Specific Conductance (µS/cm, 25°C) = 12 + Density (g/cm³) = 0.99705 + Volume (L) = 1002.96741 + Viscosity (mPa s) = 0.89008 + Activity of water = 1.000 + Ionic strength (mol/kgw) = 1.001e-04 + Mass of water (kg) = 1.000e+03 + Total alkalinity (eq/kg) = 1.247e-09 + Temperature (°C) = 25.00 + Electrical Potential (Volt) = 1.00 + Electrical balance (eq) = -1.247e-06 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Iterations = 2 (4 overall) + Total H = 1.110124e+05 + Total O = 5.550622e+04 + +----------------------------Distribution of species---------------------------- + + Log Log Log mole V + Species Molality Activity Molality Activity Gamma cm³/mol + + OH- 1.024e-07 1.012e-07 -6.990 -6.995 -0.005 -4.13 + H+ 1.011e-07 1.000e-07 -6.995 -7.000 -0.005 0.00 + H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07 +Cl 1.000e-04 + Cl- 1.000e-04 9.885e-05 -4.000 -4.005 -0.005 18.05 + HCl 3.405e-12 3.405e-12 -11.468 -11.468 0.000 (0) +H(0) 1.416e-25 + H2 7.079e-26 7.079e-26 -25.150 -25.150 0.000 28.61 +Na 1.000e-04 + Na+ 1.000e-04 9.885e-05 -4.000 -4.005 -0.005 -1.51 + NaOH 1.000e-21 1.001e-21 -21.000 -21.000 0.000 (0) +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -42.080 -42.080 0.000 30.40 + +------------------------------Saturation indices------------------------------- + + Phase SI** log IAP log K(298 K, 1 atm) + + H2(g) -22.05 -25.15 -3.10 H2 + H2O(g) -1.50 -0.00 1.50 H2O + Halite -9.58 -8.01 1.57 NaCl + O2(g) -39.19 -42.08 -2.89 O2 + +**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. + For ideal gases, phi = 1. + +------------------ +End of simulation. +------------------ + +------------------------------------ +Reading input data for simulation 6. +------------------------------------ + + USER_GRAPH 1 + -active true + -connect_simulations true + -headings Dw:..correct..false + 10 if sim_no > 5 then plot_xy get(1), -current_a * 10, symbol_size = 7, symbol = XCross , color = Red + 30 put(tot("Cl"), 1) : put(SC, 2) + REACTION 0-2 + TRANSPORT + multi_d true 1e-9 1 0.0 1 false + shifts 1 + END +WARNING: No porosities were read; used the value 1.00e+00 from -multi_D. +------------------------------------ +Column data retained from former run +------------------------------------ + +------------------------------------ +Beginning of transport calculations. +------------------------------------ + +------------------------------- +Equilibrating initial solutions +------------------------------- + +Using solution 0. + +-----------------------------Solution composition------------------------------ + + Elements Molality Moles + + Cl 1.000e-04 1.000e-01 + Na 1.000e-04 1.000e-01 + +----------------------------Description of solution---------------------------- + + pH = 7.000 Charge balance + pe = 4.000 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 12 + Density (g/cm³) = 0.99705 + Volume (L) = 1002.96741 + Viscosity (mPa s) = 0.89008 + Activity of water = 1.000 + Ionic strength (mol/kgw) = 1.001e-04 + Mass of water (kg) = 1.000e+03 + Total alkalinity (eq/kg) = 1.247e-09 + Temperature (°C) = 25.00 + Electrical balance (eq) = -1.247e-06 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Iterations = 0 + Total H = 1.110124e+05 + Total O = 5.550622e+04 + +----------------------------Distribution of species---------------------------- + + Log Log Log mole V + Species Molality Activity Molality Activity Gamma cm³/mol + + OH- 1.024e-07 1.012e-07 -6.990 -6.995 -0.005 -4.13 + H+ 1.011e-07 1.000e-07 -6.995 -7.000 -0.005 0.00 + H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07 +Cl 1.000e-04 + Cl- 1.000e-04 9.885e-05 -4.000 -4.005 -0.005 18.05 + HCl 3.405e-12 3.405e-12 -11.468 -11.468 0.000 (0) +H(0) 1.416e-25 + H2 7.079e-26 7.079e-26 -25.150 -25.150 0.000 28.61 +Na 1.000e-04 + Na+ 1.000e-04 9.885e-05 -4.000 -4.005 -0.005 -1.51 + NaOH 1.000e-21 1.001e-21 -21.000 -21.000 0.000 (0) +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -42.080 -42.080 0.000 30.40 + +------------------------------Saturation indices------------------------------- + + Phase SI** log IAP log K(298 K, 1 atm) + + H2(g) -22.05 -25.15 -3.10 H2 + H2O(g) -1.50 -0.00 1.50 H2O + Halite -9.58 -8.01 1.57 NaCl + O2(g) -39.19 -42.08 -2.89 O2 + +**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. + For ideal gases, phi = 1. + +Using solution 1. + +-----------------------------Solution composition------------------------------ + + Elements Molality Moles + + Cl 1.000e-04 1.000e-01 + Na 1.000e-04 1.000e-01 + +----------------------------Description of solution---------------------------- + + pH = 7.000 Charge balance + pe = 4.000 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 12 + Density (g/cm³) = 0.99705 + Volume (L) = 1002.96741 + Viscosity (mPa s) = 0.89008 + Activity of water = 1.000 + Ionic strength (mol/kgw) = 1.001e-04 + Mass of water (kg) = 1.000e+03 + Total alkalinity (eq/kg) = 1.247e-09 + Temperature (°C) = 25.00 + Electrical Potential (Volt) = 0.50 + Electrical balance (eq) = -1.247e-06 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Iterations = 0 + Total H = 1.110124e+05 + Total O = 5.550622e+04 + +----------------------------Distribution of species---------------------------- + + Log Log Log mole V + Species Molality Activity Molality Activity Gamma cm³/mol + + OH- 1.024e-07 1.012e-07 -6.990 -6.995 -0.005 -4.13 + H+ 1.011e-07 1.000e-07 -6.995 -7.000 -0.005 0.00 + H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07 +Cl 1.000e-04 + Cl- 1.000e-04 9.885e-05 -4.000 -4.005 -0.005 18.05 + HCl 3.405e-12 3.405e-12 -11.468 -11.468 0.000 (0) +H(0) 1.416e-25 + H2 7.079e-26 7.079e-26 -25.150 -25.150 0.000 28.61 +Na 1.000e-04 + Na+ 1.000e-04 9.885e-05 -4.000 -4.005 -0.005 -1.51 + NaOH 1.000e-21 1.001e-21 -21.000 -21.000 0.000 (0) +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -42.080 -42.080 0.000 30.40 + +------------------------------Saturation indices------------------------------- + + Phase SI** log IAP log K(298 K, 1 atm) + + H2(g) -22.05 -25.15 -3.10 H2 + H2O(g) -1.50 -0.00 1.50 H2O + Halite -9.58 -8.01 1.57 NaCl + O2(g) -39.19 -42.08 -2.89 O2 + +**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. + For ideal gases, phi = 1. + +Using solution 2. + +-----------------------------Solution composition------------------------------ + + Elements Molality Moles + + Cl 1.000e-04 1.000e-01 + Na 1.000e-04 1.000e-01 + +----------------------------Description of solution---------------------------- + + pH = 7.000 Charge balance + pe = 4.000 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 12 + Density (g/cm³) = 0.99705 + Volume (L) = 1002.96741 + Viscosity (mPa s) = 0.89008 + Activity of water = 1.000 + Ionic strength (mol/kgw) = 1.001e-04 + Mass of water (kg) = 1.000e+03 + Total alkalinity (eq/kg) = 1.247e-09 + Temperature (°C) = 25.00 + Electrical Potential (Volt) = 1.00 + Electrical balance (eq) = -1.247e-06 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Iterations = 0 + Total H = 1.110124e+05 + Total O = 5.550622e+04 + +----------------------------Distribution of species---------------------------- + + Log Log Log mole V + Species Molality Activity Molality Activity Gamma cm³/mol + + OH- 1.024e-07 1.012e-07 -6.990 -6.995 -0.005 -4.13 + H+ 1.011e-07 1.000e-07 -6.995 -7.000 -0.005 0.00 + H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07 +Cl 1.000e-04 + Cl- 1.000e-04 9.885e-05 -4.000 -4.005 -0.005 18.05 + HCl 3.405e-12 3.405e-12 -11.468 -11.468 0.000 (0) +H(0) 1.416e-25 + H2 7.079e-26 7.079e-26 -25.150 -25.150 0.000 28.61 +Na 1.000e-04 + Na+ 1.000e-04 9.885e-05 -4.000 -4.005 -0.005 -1.51 + NaOH 1.000e-21 1.001e-21 -21.000 -21.000 0.000 (0) +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -42.080 -42.080 0.000 30.40 + +------------------------------Saturation indices------------------------------- + + Phase SI** log IAP log K(298 K, 1 atm) + + H2(g) -22.05 -25.15 -3.10 H2 + H2O(g) -1.50 -0.00 1.50 H2O + Halite -9.58 -8.01 1.57 NaCl + O2(g) -39.19 -42.08 -2.89 O2 + +**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. + For ideal gases, phi = 1. + +WARNING: +Calculating transport: 1 (mobile) cells, 1 shifts, 1 mixruns... + + +Transport step 1. Multicomponent diffusion run 1. + +Using solution 0. Solution after simulation 6. +Using reaction 0. + +Reaction 0. + + 1.000e+00 moles of the following reaction have been added: + + Relative + Reactant moles + + + Relative + Element moles + +-----------------------------Solution composition------------------------------ + + Elements Molality Moles + + Cl 1.000e-04 1.000e-01 + Na 1.000e-04 1.000e-01 + +----------------------------Description of solution---------------------------- + + pH = 7.000 Charge balance + pe = -2.985 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 12 + Density (g/cm³) = 0.99705 + Volume (L) = 1002.96741 + Viscosity (mPa s) = 0.89008 + Activity of water = 1.000 + Ionic strength (mol/kgw) = 1.001e-04 + Mass of water (kg) = 1.000e+03 + Total alkalinity (eq/kg) = 1.260e-09 + Temperature (°C) = 25.00 + Electrical balance (eq) = -1.247e-06 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Iterations = 8 + Total H = 1.110124e+05 + Total O = 5.550622e+04 + +----------------------------Distribution of species---------------------------- + + Log Log Log mole V + Species Molality Activity Molality Activity Gamma cm³/mol + + OH- 1.024e-07 1.012e-07 -6.990 -6.995 -0.005 -4.13 + H+ 1.011e-07 9.999e-08 -6.995 -7.000 -0.005 0.00 + H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07 +Cl 1.000e-04 + Cl- 1.000e-04 9.885e-05 -4.000 -4.005 -0.005 18.05 + HCl 3.405e-12 3.405e-12 -11.468 -11.468 0.000 (0) +H(0) 1.319e-11 + H2 6.595e-12 6.595e-12 -11.181 -11.181 0.000 28.61 +Na 1.000e-04 + Na+ 1.000e-04 9.885e-05 -4.000 -4.005 -0.005 -1.51 + NaOH 1.001e-21 1.001e-21 -21.000 -21.000 0.000 (0) +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -70.018 -70.018 0.000 30.40 + +------------------------------Saturation indices------------------------------- + + Phase SI** log IAP log K(298 K, 1 atm) + + H2(g) -8.08 -11.18 -3.10 H2 + H2O(g) -1.50 -0.00 1.50 H2O + Halite -9.58 -8.01 1.57 NaCl + O2(g) -67.13 -70.02 -2.89 O2 + +**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. + For ideal gases, phi = 1. + +Using mix 1. +Using reaction 1. + +Mixture 1. + + 0.000e+00 Solution 0 Solution after simulation 6. + 1.000e+00 Solution 1 Solution after simulation 6. + 0.000e+00 Solution 2 Solution after simulation 6. + +Reaction 1. + + 1.000e+00 moles of the following reaction have been added: + + Relative + Reactant moles + + + Relative + Element moles + +-----------------------------Solution composition------------------------------ + + Elements Molality Moles + + Cl 1.000e-04 1.000e-01 + Na 1.000e-04 1.000e-01 + +----------------------------Description of solution---------------------------- + + pH = 7.000 Charge balance + pe = 4.000 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 12 + Density (g/cm³) = 0.99705 + Volume (L) = 1002.96741 + Viscosity (mPa s) = 0.89008 + Activity of water = 1.000 + Ionic strength (mol/kgw) = 1.001e-04 + Mass of water (kg) = 1.000e+03 + Total alkalinity (eq/kg) = 1.247e-09 + Temperature (°C) = 25.00 + Electrical Potential (Volt) = 0.50 + Electrical balance (eq) = -1.247e-06 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Iterations = 0 + Total H = 1.110124e+05 + Total O = 5.550622e+04 + +----------------------------Distribution of species---------------------------- + + Log Log Log mole V + Species Molality Activity Molality Activity Gamma cm³/mol + + OH- 1.024e-07 1.012e-07 -6.990 -6.995 -0.005 -4.13 + H+ 1.011e-07 1.000e-07 -6.995 -7.000 -0.005 0.00 + H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07 +Cl 1.000e-04 + Cl- 1.000e-04 9.885e-05 -4.000 -4.005 -0.005 18.05 + HCl 3.405e-12 3.405e-12 -11.468 -11.468 0.000 (0) +H(0) 1.416e-25 + H2 7.079e-26 7.079e-26 -25.150 -25.150 0.000 28.61 +Na 1.000e-04 + Na+ 1.000e-04 9.885e-05 -4.000 -4.005 -0.005 -1.51 + NaOH 1.000e-21 1.001e-21 -21.000 -21.000 0.000 (0) +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -42.080 -42.080 0.000 30.40 + +------------------------------Saturation indices------------------------------- + + Phase SI** log IAP log K(298 K, 1 atm) + + H2(g) -22.05 -25.15 -3.10 H2 + H2O(g) -1.50 -0.00 1.50 H2O + Halite -9.58 -8.01 1.57 NaCl + O2(g) -39.19 -42.08 -2.89 O2 + +**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. + For ideal gases, phi = 1. + +Using solution 2. Solution after simulation 6. +Using reaction 2. + +Reaction 2. + + 1.000e+00 moles of the following reaction have been added: + + Relative + Reactant moles + + + Relative + Element moles + +-----------------------------Solution composition------------------------------ + + Elements Molality Moles + + Cl 1.000e-04 1.000e-01 + Na 1.000e-04 1.000e-01 + +----------------------------Description of solution---------------------------- + + pH = 7.000 Charge balance + pe = 11.719 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 12 + Density (g/cm³) = 0.99705 + Volume (L) = 1002.96741 + Viscosity (mPa s) = 0.89008 + Activity of water = 1.000 + Ionic strength (mol/kgw) = 1.001e-04 + Mass of water (kg) = 1.000e+03 + Total alkalinity (eq/kg) = 1.234e-09 + Temperature (°C) = 25.00 + Electrical Potential (Volt) = 1.00 + Electrical balance (eq) = -1.247e-06 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Iterations = 7 + Total H = 1.110124e+05 + Total O = 5.550622e+04 + +----------------------------Distribution of species---------------------------- + + Log Log Log mole V + Species Molality Activity Molality Activity Gamma cm³/mol + + OH- 1.024e-07 1.012e-07 -6.990 -6.995 -0.005 -4.13 + H+ 1.012e-07 1.000e-07 -6.995 -7.000 -0.005 0.00 + H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07 +Cl 1.000e-04 + Cl- 1.000e-04 9.885e-05 -4.000 -4.005 -0.005 18.05 + HCl 3.405e-12 3.405e-12 -11.468 -11.468 0.000 (0) +H(0) 0.000e+00 + H2 0.000e+00 0.000e+00 -40.587 -40.587 0.000 28.61 +Na 1.000e-04 + Na+ 1.000e-04 9.885e-05 -4.000 -4.005 -0.005 -1.51 + NaOH 1.000e-21 1.000e-21 -21.000 -21.000 0.000 (0) +O(0) 1.244e-11 + O2 6.222e-12 6.222e-12 -11.206 -11.206 0.000 30.40 + +------------------------------Saturation indices------------------------------- + + Phase SI** log IAP log K(298 K, 1 atm) + + H2(g) -37.49 -40.59 -3.10 H2 + H2O(g) -1.50 -0.00 1.50 H2O + Halite -9.58 -8.01 1.57 NaCl + O2(g) -8.31 -11.21 -2.89 O2 + +**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. + For ideal gases, phi = 1. + +------------------ +End of simulation. +------------------ + +------------------------------------ +Reading input data for simulation 7. +------------------------------------ + + REACTION 0-2 + NaCl 1 + 300 + TRANSPORT + shifts 11 + END +WARNING: No porosities were read; used the value 1.00e+00 from -multi_D. +------------------------------------ +Column data retained from former run +------------------------------------ + +------------------------------------ +Beginning of transport calculations. +------------------------------------ + +------------------------------- +Equilibrating initial solutions +------------------------------- + +Using solution 0. Solution after simulation 6. + +-----------------------------Solution composition------------------------------ + + Elements Molality Moles + + Cl 1.000e-04 1.000e-01 + Na 1.000e-04 1.000e-01 + +----------------------------Description of solution---------------------------- + + pH = 7.000 Charge balance + pe = -2.985 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 12 + Density (g/cm³) = 0.99705 + Volume (L) = 1002.96741 + Viscosity (mPa s) = 0.89008 + Activity of water = 1.000 + Ionic strength (mol/kgw) = 1.001e-04 + Mass of water (kg) = 1.000e+03 + Total alkalinity (eq/kg) = 1.260e-09 + Temperature (°C) = 25.00 + Electrical balance (eq) = -1.247e-06 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Iterations = 0 + Total H = 1.110124e+05 + Total O = 5.550622e+04 + +----------------------------Distribution of species---------------------------- + + Log Log Log mole V + Species Molality Activity Molality Activity Gamma cm³/mol + + OH- 1.024e-07 1.012e-07 -6.990 -6.995 -0.005 -4.13 + H+ 1.011e-07 9.999e-08 -6.995 -7.000 -0.005 0.00 + H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07 +Cl 1.000e-04 + Cl- 1.000e-04 9.885e-05 -4.000 -4.005 -0.005 18.05 + HCl 3.405e-12 3.405e-12 -11.468 -11.468 0.000 (0) +H(0) 1.319e-11 + H2 6.595e-12 6.595e-12 -11.181 -11.181 0.000 28.61 +Na 1.000e-04 + Na+ 1.000e-04 9.885e-05 -4.000 -4.005 -0.005 -1.51 + NaOH 1.001e-21 1.001e-21 -21.000 -21.000 0.000 (0) +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -70.018 -70.018 0.000 30.40 + +------------------------------Saturation indices------------------------------- + + Phase SI** log IAP log K(298 K, 1 atm) + + H2(g) -8.08 -11.18 -3.10 H2 + H2O(g) -1.50 -0.00 1.50 H2O + Halite -9.58 -8.01 1.57 NaCl + O2(g) -67.13 -70.02 -2.89 O2 + +**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. + For ideal gases, phi = 1. + +Using solution 1. Solution after simulation 6. + +-----------------------------Solution composition------------------------------ + + Elements Molality Moles + + Cl 1.000e-04 1.000e-01 + Na 1.000e-04 1.000e-01 + +----------------------------Description of solution---------------------------- + + pH = 7.000 Charge balance + pe = 4.000 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 12 + Density (g/cm³) = 0.99705 + Volume (L) = 1002.96741 + Viscosity (mPa s) = 0.89008 + Activity of water = 1.000 + Ionic strength (mol/kgw) = 1.001e-04 + Mass of water (kg) = 1.000e+03 + Total alkalinity (eq/kg) = 1.247e-09 + Temperature (°C) = 25.00 + Electrical Potential (Volt) = 0.50 + Electrical balance (eq) = -1.247e-06 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Iterations = 0 + Total H = 1.110124e+05 + Total O = 5.550622e+04 + +----------------------------Distribution of species---------------------------- + + Log Log Log mole V + Species Molality Activity Molality Activity Gamma cm³/mol + + OH- 1.024e-07 1.012e-07 -6.990 -6.995 -0.005 -4.13 + H+ 1.011e-07 1.000e-07 -6.995 -7.000 -0.005 0.00 + H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07 +Cl 1.000e-04 + Cl- 1.000e-04 9.885e-05 -4.000 -4.005 -0.005 18.05 + HCl 3.405e-12 3.405e-12 -11.468 -11.468 0.000 (0) +H(0) 1.416e-25 + H2 7.079e-26 7.079e-26 -25.150 -25.150 0.000 28.61 +Na 1.000e-04 + Na+ 1.000e-04 9.885e-05 -4.000 -4.005 -0.005 -1.51 + NaOH 1.000e-21 1.001e-21 -21.000 -21.000 0.000 (0) +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -42.080 -42.080 0.000 30.40 + +------------------------------Saturation indices------------------------------- + + Phase SI** log IAP log K(298 K, 1 atm) + + H2(g) -22.05 -25.15 -3.10 H2 + H2O(g) -1.50 -0.00 1.50 H2O + Halite -9.58 -8.01 1.57 NaCl + O2(g) -39.19 -42.08 -2.89 O2 + +**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. + For ideal gases, phi = 1. + +Using solution 2. Solution after simulation 6. + +-----------------------------Solution composition------------------------------ + + Elements Molality Moles + + Cl 1.000e-04 1.000e-01 + Na 1.000e-04 1.000e-01 + +----------------------------Description of solution---------------------------- + + pH = 7.000 Charge balance + pe = 11.719 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 12 + Density (g/cm³) = 0.99705 + Volume (L) = 1002.96741 + Viscosity (mPa s) = 0.89008 + Activity of water = 1.000 + Ionic strength (mol/kgw) = 1.001e-04 + Mass of water (kg) = 1.000e+03 + Total alkalinity (eq/kg) = 1.234e-09 + Temperature (°C) = 25.00 + Electrical Potential (Volt) = 1.00 + Electrical balance (eq) = -1.247e-06 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Iterations = 0 + Total H = 1.110124e+05 + Total O = 5.550622e+04 + +----------------------------Distribution of species---------------------------- + + Log Log Log mole V + Species Molality Activity Molality Activity Gamma cm³/mol + + OH- 1.024e-07 1.012e-07 -6.990 -6.995 -0.005 -4.13 + H+ 1.012e-07 1.000e-07 -6.995 -7.000 -0.005 0.00 + H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07 +Cl 1.000e-04 + Cl- 1.000e-04 9.885e-05 -4.000 -4.005 -0.005 18.05 + HCl 3.405e-12 3.405e-12 -11.468 -11.468 0.000 (0) +H(0) 0.000e+00 + H2 0.000e+00 0.000e+00 -40.587 -40.587 0.000 28.61 +Na 1.000e-04 + Na+ 1.000e-04 9.885e-05 -4.000 -4.005 -0.005 -1.51 + NaOH 1.000e-21 1.000e-21 -21.000 -21.000 0.000 (0) +O(0) 1.244e-11 + O2 6.222e-12 6.222e-12 -11.206 -11.206 0.000 30.40 + +------------------------------Saturation indices------------------------------- + + Phase SI** log IAP log K(298 K, 1 atm) + + H2(g) -37.49 -40.59 -3.10 H2 + H2O(g) -1.50 -0.00 1.50 H2O + Halite -9.58 -8.01 1.57 NaCl + O2(g) -8.31 -11.21 -2.89 O2 + +**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. + For ideal gases, phi = 1. + +WARNING: +Calculating transport: 1 (mobile) cells, 11 shifts, 1 mixruns... + + +Transport step 1. Multicomponent diffusion run 1. + +Using solution 0. Solution after simulation 7. +Using reaction 0. + +Reaction 0. + + 3.000e+02 moles of the following reaction have been added: + + Relative + Reactant moles + + NaCl 1.00000 + + Relative + Element moles + Cl 1.00000 + Na 1.00000 + +-----------------------------Solution composition------------------------------ + + Elements Molality Moles + + Cl 3.001e-01 3.001e+02 + Na 3.001e-01 3.001e+02 + +----------------------------Description of solution---------------------------- + + pH = 6.978 Charge balance + pe = -3.128 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 29250 + Density (g/cm³) = 1.00917 + Volume (L) = 1008.28815 + Viscosity (mPa s) = 0.91402 + Activity of water = 0.990 + Ionic strength (mol/kgw) = 3.001e-01 + Mass of water (kg) = 1.000e+03 + Total alkalinity (eq/kg) = 1.273e-09 + Temperature (°C) = 25.00 + Electrical balance (eq) = -1.247e-06 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Iterations = 8 + Total H = 1.110124e+05 + Total O = 5.550622e+04 + +----------------------------Distribution of species---------------------------- + + Log Log Log mole V + Species Molality Activity Molality Activity Gamma cm³/mol + + OH- 1.413e-07 9.523e-08 -6.850 -7.021 -0.171 -3.29 + H+ 1.345e-07 1.052e-07 -6.871 -6.978 -0.107 0.00 + H2O 5.551e+01 9.898e-01 1.744 -0.004 0.000 18.07 +Cl 3.001e-01 + Cl- 3.001e-01 2.058e-01 -0.523 -0.687 -0.164 18.55 + HCl 5.557e-09 7.457e-09 -8.255 -8.127 0.128 (0) +H(0) 2.635e-11 + H2 1.317e-11 1.412e-11 -10.880 -10.850 0.030 28.61 +Na 3.001e-01 + Na+ 3.001e-01 2.192e-01 -0.523 -0.659 -0.137 -0.81 + NaOH 1.948e-18 2.087e-18 -17.710 -17.680 0.030 (0) +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -70.718 -70.688 0.030 30.40 + +------------------------------Saturation indices------------------------------- + + Phase SI** log IAP log K(298 K, 1 atm) + + H2(g) -7.75 -10.85 -3.10 H2 + H2O(g) -1.51 -0.00 1.50 H2O + Halite -2.92 -1.35 1.57 NaCl + O2(g) -67.80 -70.69 -2.89 O2 + +**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. + For ideal gases, phi = 1. + +Using mix 1. +Using reaction 1. + +Mixture 1. + + 0.000e+00 Solution 0 Solution after simulation 7. + 1.000e+00 Solution 1 Solution after simulation 7. + 0.000e+00 Solution 2 Solution after simulation 7. + +Reaction 1. + + 3.000e+02 moles of the following reaction have been added: + + Relative + Reactant moles + + NaCl 1.00000 + + Relative + Element moles + Cl 1.00000 + Na 1.00000 + +-----------------------------Solution composition------------------------------ + + Elements Molality Moles + + Cl 3.001e-01 3.001e+02 + Na 3.001e-01 3.001e+02 + +----------------------------Description of solution---------------------------- + + pH = 6.978 Charge balance + pe = -1.334 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 29250 + Density (g/cm³) = 1.00917 + Volume (L) = 1008.28815 + Viscosity (mPa s) = 0.91402 + Activity of water = 0.990 + Ionic strength (mol/kgw) = 3.001e-01 + Mass of water (kg) = 1.000e+03 + Total alkalinity (eq/kg) = 1.247e-09 + Temperature (°C) = 25.00 + Electrical Potential (Volt) = 0.50 + Electrical balance (eq) = -1.247e-06 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Iterations = 14 + Total H = 1.110124e+05 + Total O = 5.550622e+04 + +----------------------------Distribution of species---------------------------- + + Log Log Log mole V + Species Molality Activity Molality Activity Gamma cm³/mol + + OH- 1.413e-07 9.522e-08 -6.850 -7.021 -0.171 -3.29 + H+ 1.345e-07 1.052e-07 -6.871 -6.978 -0.107 0.00 + H2O 5.551e+01 9.898e-01 1.744 -0.004 0.000 18.07 +Cl 3.001e-01 + Cl- 3.001e-01 2.058e-01 -0.523 -0.687 -0.164 18.55 + HCl 5.557e-09 7.458e-09 -8.255 -8.127 0.128 (0) +H(0) 6.795e-15 + H2 3.398e-15 3.641e-15 -14.469 -14.439 0.030 28.61 +Na 3.001e-01 + Na+ 3.001e-01 2.192e-01 -0.523 -0.659 -0.137 -0.81 + NaOH 1.948e-18 2.087e-18 -17.711 -17.681 0.030 (0) +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -63.541 -63.511 0.030 30.40 + +------------------------------Saturation indices------------------------------- + + Phase SI** log IAP log K(298 K, 1 atm) + + H2(g) -11.34 -14.44 -3.10 H2 + H2O(g) -1.51 -0.00 1.50 H2O + Halite -2.92 -1.35 1.57 NaCl + O2(g) -60.62 -63.51 -2.89 O2 + +**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. + For ideal gases, phi = 1. + +Using solution 2. Solution after simulation 7. +Using reaction 2. + +Reaction 2. + + 3.000e+02 moles of the following reaction have been added: + + Relative + Reactant moles + + NaCl 1.00000 + + Relative + Element moles + Cl 1.00000 + Na 1.00000 + +-----------------------------Solution composition------------------------------ + + Elements Molality Moles + + Cl 3.001e-01 3.001e+02 + Na 3.001e-01 3.001e+02 + +----------------------------Description of solution---------------------------- + + pH = 6.978 Charge balance + pe = 11.796 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 29250 + Density (g/cm³) = 1.00917 + Volume (L) = 1008.28815 + Viscosity (mPa s) = 0.91402 + Activity of water = 0.990 + Ionic strength (mol/kgw) = 3.001e-01 + Mass of water (kg) = 1.000e+03 + Total alkalinity (eq/kg) = 1.221e-09 + Temperature (°C) = 25.00 + Electrical Potential (Volt) = 1.00 + Electrical balance (eq) = -1.247e-06 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Iterations = 8 + Total H = 1.110124e+05 + Total O = 5.550622e+04 + +----------------------------Distribution of species---------------------------- + + Log Log Log mole V + Species Molality Activity Molality Activity Gamma cm³/mol + + OH- 1.413e-07 9.521e-08 -6.850 -7.021 -0.171 -3.29 + H+ 1.345e-07 1.052e-07 -6.871 -6.978 -0.107 0.00 + H2O 5.551e+01 9.898e-01 1.744 -0.004 0.000 18.07 +Cl 3.001e-01 + Cl- 3.001e-01 2.058e-01 -0.523 -0.687 -0.164 18.55 + HCl 5.558e-09 7.458e-09 -8.255 -8.127 0.128 (0) +H(0) 0.000e+00 + H2 0.000e+00 0.000e+00 -40.728 -40.698 0.030 28.61 +Na 3.001e-01 + Na+ 3.001e-01 2.192e-01 -0.523 -0.659 -0.137 -0.81 + NaOH 1.947e-18 2.087e-18 -17.711 -17.681 0.030 (0) +O(0) 1.901e-11 + O2 9.505e-12 1.018e-11 -11.022 -10.992 0.030 30.40 + +------------------------------Saturation indices------------------------------- + + Phase SI** log IAP log K(298 K, 1 atm) + + H2(g) -37.60 -40.70 -3.10 H2 + H2O(g) -1.51 -0.00 1.50 H2O + Halite -2.92 -1.35 1.57 NaCl + O2(g) -8.10 -10.99 -2.89 O2 + +**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. + For ideal gases, phi = 1. + +Transport step 2. Multicomponent diffusion run 1. + +Using solution 0. Solution after simulation 7. +Using reaction 0. + +Reaction 0. + + 3.000e+02 moles of the following reaction have been added: + + Relative + Reactant moles + + NaCl 1.00000 + + Relative + Element moles + Cl 1.00000 + Na 1.00000 + +-----------------------------Solution composition------------------------------ + + Elements Molality Moles + + Cl 6.001e-01 6.001e+02 + Na 6.001e-01 6.001e+02 + +----------------------------Description of solution---------------------------- + + pH = 7.028 Charge balance + pe = -4.780 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 54376 + Density (g/cm³) = 1.02090 + Volume (L) = 1013.88417 + Viscosity (mPa s) = 0.93820 + Activity of water = 0.980 + Ionic strength (mol/kgw) = 6.001e-01 + Mass of water (kg) = 1.000e+03 + Total alkalinity (eq/kg) = 4.056e-08 + Temperature (°C) = 25.00 + Electrical balance (eq) = -1.252e-06 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Iterations = 6 + Total H = 1.110124e+05 + Total O = 5.550622e+04 + +----------------------------Distribution of species---------------------------- + + Log Log Log mole V + Species Molality Activity Molality Activity Gamma cm³/mol + + OH- 1.711e-07 1.057e-07 -6.767 -6.976 -0.209 -2.75 + H+ 1.236e-07 9.378e-08 -6.908 -7.028 -0.120 0.00 + H2O 5.551e+01 9.796e-01 1.744 -0.009 0.000 18.07 +Cl 6.001e-01 + Cl- 6.001e-01 3.829e-01 -0.222 -0.417 -0.195 18.75 + HCl 6.869e-09 1.237e-08 -8.163 -7.908 0.255 (0) +H(0) 3.935e-08 + H2 1.968e-08 2.259e-08 -7.706 -7.646 0.060 28.61 +Na 6.001e-01 + Na+ 6.001e-01 4.301e-01 -0.222 -0.366 -0.145 -0.56 + NaOH 3.961e-18 4.548e-18 -17.402 -17.342 0.060 (0) +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -77.166 -77.106 0.060 30.40 + +------------------------------Saturation indices------------------------------- + + Phase SI** log IAP log K(298 K, 1 atm) + + H2(g) -4.54 -7.65 -3.10 H2 + H2O(g) -1.51 -0.01 1.50 H2O + Halite -2.35 -0.78 1.57 NaCl + O2(g) -74.21 -77.11 -2.89 O2 + +**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. + For ideal gases, phi = 1. + +Using mix 1. +Using reaction 1. + +Mixture 1. + + 0.000e+00 Solution 0 Solution after simulation 7. + 1.000e+00 Solution 1 Solution after simulation 7. + 0.000e+00 Solution 2 Solution after simulation 7. + +Reaction 1. + + 3.000e+02 moles of the following reaction have been added: + + Relative + Reactant moles + + NaCl 1.00000 + + Relative + Element moles + Cl 1.00000 + Na 1.00000 + +-----------------------------Solution composition------------------------------ + + Elements Molality Moles + + Cl 6.001e-01 6.001e+02 + Na 6.001e-01 6.001e+02 + +----------------------------Description of solution---------------------------- + + pH = 6.971 Charge balance + pe = 10.889 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 54376 + Density (g/cm³) = 1.02090 + Volume (L) = 1013.88417 + Viscosity (mPa s) = 0.93820 + Activity of water = 0.980 + Ionic strength (mol/kgw) = 6.001e-01 + Mass of water (kg) = 1.000e+03 + Total alkalinity (eq/kg) = 1.247e-09 + Temperature (°C) = 25.00 + Electrical Potential (Volt) = 0.50 + Electrical balance (eq) = -1.247e-06 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Iterations = 14 + Total H = 1.110124e+05 + Total O = 5.550622e+04 + +----------------------------Distribution of species---------------------------- + + Log Log Log mole V + Species Molality Activity Molality Activity Gamma cm³/mol + + OH- 1.500e-07 9.274e-08 -6.824 -7.033 -0.209 -2.75 + H+ 1.410e-07 1.069e-07 -6.851 -6.971 -0.120 0.00 + H2O 5.551e+01 9.796e-01 1.744 -0.009 0.000 18.07 +Cl 6.001e-01 + Cl- 6.001e-01 3.829e-01 -0.222 -0.417 -0.195 18.75 + HCl 7.832e-09 1.410e-08 -8.106 -7.851 0.255 (0) +H(0) 2.351e-39 + H2 1.175e-39 1.350e-39 -38.930 -38.870 0.060 28.61 +Na 6.001e-01 + Na+ 6.001e-01 4.301e-01 -0.222 -0.366 -0.145 -0.56 + NaOH 3.474e-18 3.989e-18 -17.459 -17.399 0.060 (0) +O(0) 3.826e-15 + O2 1.913e-15 2.196e-15 -14.718 -14.658 0.060 30.40 + +------------------------------Saturation indices------------------------------- + + Phase SI** log IAP log K(298 K, 1 atm) + + H2(g) -35.77 -38.87 -3.10 H2 + H2O(g) -1.51 -0.01 1.50 H2O + Halite -2.35 -0.78 1.57 NaCl + O2(g) -11.77 -14.66 -2.89 O2 + +**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. + For ideal gases, phi = 1. + +Using solution 2. Solution after simulation 7. +Using reaction 2. + +Reaction 2. + + 3.000e+02 moles of the following reaction have been added: + + Relative + Reactant moles + + NaCl 1.00000 + + Relative + Element moles + Cl 1.00000 + Na 1.00000 + +-----------------------------Solution composition------------------------------ + + Elements Molality Moles + + Cl 6.001e-01 6.001e+02 + Na 6.001e-01 6.001e+02 + +----------------------------Description of solution---------------------------- + + pH = 6.914 Charge balance + pe = 12.624 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 54376 + Density (g/cm³) = 1.02090 + Volume (L) = 1013.88417 + Viscosity (mPa s) = 0.93820 + Activity of water = 0.980 + Ionic strength (mol/kgw) = 6.001e-01 + Mass of water (kg) = 1.000e+03 + Total alkalinity (eq/kg) = -3.806e-08 + Temperature (°C) = 25.00 + Electrical Potential (Volt) = 1.00 + Electrical balance (eq) = -1.247e-06 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Iterations = 8 + Total H = 1.110124e+05 + Total O = 5.550622e+04 + +----------------------------Distribution of species---------------------------- + + Log Log Log mole V + Species Molality Activity Molality Activity Gamma cm³/mol + + H+ 1.607e-07 1.219e-07 -6.794 -6.914 -0.120 0.00 + OH- 1.316e-07 8.133e-08 -6.881 -7.090 -0.209 -2.75 + H2O 5.551e+01 9.796e-01 1.744 -0.009 0.000 18.07 +Cl 6.001e-01 + Cl- 6.001e-01 3.829e-01 -0.222 -0.417 -0.195 18.75 + HCl 8.930e-09 1.608e-08 -8.049 -7.794 0.255 (0) +H(0) 0.000e+00 + H2 0.000e+00 0.000e+00 -42.286 -42.226 0.060 28.61 +Na 6.001e-01 + Na+ 6.001e-01 4.301e-01 -0.222 -0.366 -0.145 -0.56 + NaOH 3.047e-18 3.498e-18 -17.516 -17.456 0.060 (0) +O(0) 1.975e-08 + O2 9.875e-09 1.134e-08 -8.005 -7.945 0.060 30.40 + +------------------------------Saturation indices------------------------------- + + Phase SI** log IAP log K(298 K, 1 atm) + + H2(g) -39.13 -42.23 -3.10 H2 + H2O(g) -1.51 -0.01 1.50 H2O + Halite -2.35 -0.78 1.57 NaCl + O2(g) -5.05 -7.95 -2.89 O2 + +**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. + For ideal gases, phi = 1. + +Transport step 3. Multicomponent diffusion run 1. + +Using solution 0. Solution after simulation 7. +Using reaction 0. + +Reaction 0. + + 3.000e+02 moles of the following reaction have been added: + + Relative + Reactant moles + + NaCl 1.00000 + + Relative + Element moles + Cl 1.00000 + Na 1.00000 + +-----------------------------Solution composition------------------------------ + + Elements Molality Moles + + Cl 9.001e-01 9.001e+02 + Na 9.001e-01 9.001e+02 + +----------------------------Description of solution---------------------------- + + pH = 7.128 Charge balance + pe = -5.134 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 77171 + Density (g/cm³) = 1.03232 + Volume (L) = 1019.65160 + Viscosity (mPa s) = 0.96414 + Activity of water = 0.969 + Ionic strength (mol/kgw) = 9.001e-01 + Mass of water (kg) = 1.000e+03 + Total alkalinity (eq/kg) = 1.191e-07 + Temperature (°C) = 25.00 + Electrical balance (eq) = -1.251e-06 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Iterations = 4 + Total H = 1.110124e+05 + Total O = 5.550622e+04 + +----------------------------Distribution of species---------------------------- + + Log Log Log mole V + Species Molality Activity Molality Activity Gamma cm³/mol + + OH- 2.247e-07 1.319e-07 -6.648 -6.880 -0.231 -2.26 + H+ 9.972e-08 7.440e-08 -7.001 -7.128 -0.127 0.00 + H2O 5.551e+01 9.694e-01 1.744 -0.013 0.000 18.07 +Cl 9.001e-01 + Cl- 9.001e-01 5.528e-01 -0.046 -0.257 -0.212 18.90 + HCl 5.865e-09 1.417e-08 -8.232 -7.849 0.383 (0) +H(0) 1.180e-07 + H2 5.900e-08 7.259e-08 -7.229 -7.139 0.090 28.61 +Na 9.001e-01 + Na+ 9.001e-01 6.533e-01 -0.046 -0.185 -0.139 -0.36 + NaOH 7.002e-18 8.615e-18 -17.155 -17.065 0.090 (0) +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -78.219 -78.129 0.090 30.40 + +------------------------------Saturation indices------------------------------- + + Phase SI** log IAP log K(298 K, 1 atm) + + H2(g) -4.04 -7.14 -3.10 H2 + H2O(g) -1.52 -0.01 1.50 H2O + Halite -2.01 -0.44 1.57 NaCl + O2(g) -75.24 -78.13 -2.89 O2 + +**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. + For ideal gases, phi = 1. + +Using mix 1. +Using reaction 1. + +Mixture 1. + + 0.000e+00 Solution 0 Solution after simulation 7. + 1.000e+00 Solution 1 Solution after simulation 7. + 0.000e+00 Solution 2 Solution after simulation 7. + +Reaction 1. + + 3.000e+02 moles of the following reaction have been added: + + Relative + Reactant moles + + NaCl 1.00000 + + Relative + Element moles + Cl 1.00000 + Na 1.00000 + +-----------------------------Solution composition------------------------------ + + Elements Molality Moles + + Cl 9.001e-01 9.001e+02 + Na 9.001e-01 9.001e+02 + +----------------------------Description of solution---------------------------- + + pH = 6.966 Charge balance + pe = 11.032 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 77171 + Density (g/cm³) = 1.03232 + Volume (L) = 1019.65161 + Viscosity (mPa s) = 0.96414 + Activity of water = 0.969 + Ionic strength (mol/kgw) = 9.001e-01 + Mass of water (kg) = 1.000e+03 + Total alkalinity (eq/kg) = 1.247e-09 + Temperature (°C) = 25.00 + Electrical Potential (Volt) = 0.50 + Electrical balance (eq) = -1.246e-06 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Iterations = 4 + Total H = 1.110124e+05 + Total O = 5.550622e+04 + +----------------------------Distribution of species---------------------------- + + Log Log Log mole V + Species Molality Activity Molality Activity Gamma cm³/mol + + OH- 1.546e-07 9.076e-08 -6.811 -7.042 -0.231 -2.26 + H+ 1.449e-07 1.081e-07 -6.839 -6.966 -0.127 0.00 + H2O 5.551e+01 9.694e-01 1.744 -0.013 0.000 18.07 +Cl 9.001e-01 + Cl- 9.001e-01 5.528e-01 -0.046 -0.257 -0.212 18.90 + HCl 8.521e-09 2.059e-08 -8.070 -7.686 0.383 (0) +H(0) 1.158e-39 + H2 5.792e-40 7.125e-40 -39.237 -39.147 0.090 28.61 +Na 9.001e-01 + Na+ 9.001e-01 6.533e-01 -0.046 -0.185 -0.139 -0.36 + NaOH 4.819e-18 5.929e-18 -17.317 -17.227 0.090 (0) +O(0) 1.254e-14 + O2 6.271e-15 7.716e-15 -14.203 -14.113 0.090 30.40 + +------------------------------Saturation indices------------------------------- + + Phase SI** log IAP log K(298 K, 1 atm) + + H2(g) -36.05 -39.15 -3.10 H2 + H2O(g) -1.52 -0.01 1.50 H2O + Halite -2.01 -0.44 1.57 NaCl + O2(g) -11.22 -14.11 -2.89 O2 + +**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. + For ideal gases, phi = 1. + +Using solution 2. Solution after simulation 7. +Using reaction 2. + +Reaction 2. + + 3.000e+02 moles of the following reaction have been added: + + Relative + Reactant moles + + NaCl 1.00000 + + Relative + Element moles + Cl 1.00000 + Na 1.00000 + +-----------------------------Solution composition------------------------------ + + Elements Molality Moles + + Cl 9.001e-01 9.001e+02 + Na 9.001e-01 9.001e+02 + +----------------------------Description of solution---------------------------- + + pH = 6.804 Charge balance + pe = 12.863 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 77171 + Density (g/cm³) = 1.03232 + Volume (L) = 1019.65161 + Viscosity (mPa s) = 0.96414 + Activity of water = 0.969 + Ionic strength (mol/kgw) = 9.001e-01 + Mass of water (kg) = 1.000e+03 + Total alkalinity (eq/kg) = -1.166e-07 + Temperature (°C) = 25.00 + Electrical Potential (Volt) = 1.00 + Electrical balance (eq) = -1.246e-06 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Iterations = 4 + Total H = 1.110124e+05 + Total O = 5.550622e+04 + +----------------------------Distribution of species---------------------------- + + Log Log Log mole V + Species Molality Activity Molality Activity Gamma cm³/mol + + H+ 2.106e-07 1.571e-07 -6.677 -6.804 -0.127 0.00 + OH- 1.064e-07 6.244e-08 -6.973 -7.205 -0.231 -2.26 + H2O 5.551e+01 9.694e-01 1.744 -0.013 0.000 18.07 +Cl 9.001e-01 + Cl- 9.001e-01 5.528e-01 -0.046 -0.257 -0.212 18.90 + HCl 1.239e-08 2.993e-08 -7.907 -7.524 0.383 (0) +H(0) 0.000e+00 + H2 0.000e+00 0.000e+00 -42.574 -42.484 0.090 28.61 +Na 9.001e-01 + Na+ 9.001e-01 6.533e-01 -0.046 -0.185 -0.139 -0.36 + NaOH 3.315e-18 4.079e-18 -17.479 -17.389 0.090 (0) +O(0) 5.908e-08 + O2 2.954e-08 3.634e-08 -7.530 -7.440 0.090 30.40 + +------------------------------Saturation indices------------------------------- + + Phase SI** log IAP log K(298 K, 1 atm) + + H2(g) -39.38 -42.48 -3.10 H2 + H2O(g) -1.52 -0.01 1.50 H2O + Halite -2.01 -0.44 1.57 NaCl + O2(g) -4.55 -7.44 -2.89 O2 + +**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. + For ideal gases, phi = 1. + +Transport step 4. Multicomponent diffusion run 1. + +Using solution 0. Solution after simulation 7. +Using reaction 0. + +Reaction 0. + + 3.000e+02 moles of the following reaction have been added: + + Relative + Reactant moles + + NaCl 1.00000 + + Relative + Element moles + Cl 1.00000 + Na 1.00000 + +-----------------------------Solution composition------------------------------ + + Elements Molality Moles + + Cl 1.200e+00 1.200e+03 + Na 1.200e+00 1.200e+03 + +----------------------------Description of solution---------------------------- + + pH = 7.264 Charge balance + pe = -5.435 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 98017 + Density (g/cm³) = 1.04347 + Volume (L) = 1025.55523 + Viscosity (mPa s) = 0.99203 + Activity of water = 0.959 + Ionic strength (mol/kgw) = 1.200e+00 + Mass of water (kg) = 1.000e+03 + Total alkalinity (eq/kg) = 2.369e-07 + Temperature (°C) = 25.00 + Electrical balance (eq) = -1.251e-06 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Iterations = 4 + Total H = 1.110124e+05 + Total O = 5.550622e+04 + +----------------------------Distribution of species---------------------------- + + Log Log Log mole V + Species Molality Activity Molality Activity Gamma cm³/mol + + OH- 3.149e-07 1.782e-07 -6.502 -6.749 -0.247 -1.80 + H+ 7.380e-08 5.448e-08 -7.132 -7.264 -0.132 0.00 + H2O 5.551e+01 9.592e-01 1.744 -0.018 0.000 18.07 +Cl 1.200e+00 + Cl- 1.200e+00 7.200e-01 0.079 -0.143 -0.222 19.03 + HCl 4.169e-09 1.351e-08 -8.380 -7.869 0.511 (0) +H(0) 2.358e-07 + H2 1.179e-07 1.554e-07 -6.928 -6.808 0.120 28.61 +Na 1.200e+00 + Na+ 1.200e+00 8.938e-01 0.079 -0.049 -0.128 -0.20 + NaOH 1.208e-17 1.593e-17 -16.918 -16.798 0.120 (0) +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -78.919 -78.799 0.120 30.40 + +------------------------------Saturation indices------------------------------- + + Phase SI** log IAP log K(298 K, 1 atm) + + H2(g) -3.71 -6.81 -3.10 H2 + H2O(g) -1.52 -0.02 1.50 H2O + Halite -1.76 -0.19 1.57 NaCl + O2(g) -75.91 -78.80 -2.89 O2 + +**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. + For ideal gases, phi = 1. + +Using mix 1. +Using reaction 1. + +Mixture 1. + + 0.000e+00 Solution 0 Solution after simulation 7. + 1.000e+00 Solution 1 Solution after simulation 7. + 0.000e+00 Solution 2 Solution after simulation 7. + +Reaction 1. + + 3.000e+02 moles of the following reaction have been added: + + Relative + Reactant moles + + NaCl 1.00000 + + Relative + Element moles + Cl 1.00000 + Na 1.00000 + +-----------------------------Solution composition------------------------------ + + Elements Molality Moles + + Cl 1.200e+00 1.200e+03 + Na 1.200e+00 1.200e+03 + +----------------------------Description of solution---------------------------- + + pH = 6.962 Charge balance + pe = 11.012 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 98017 + Density (g/cm³) = 1.04347 + Volume (L) = 1025.55523 + Viscosity (mPa s) = 0.99203 + Activity of water = 0.959 + Ionic strength (mol/kgw) = 1.200e+00 + Mass of water (kg) = 1.000e+03 + Total alkalinity (eq/kg) = 1.247e-09 + Temperature (°C) = 25.00 + Electrical Potential (Volt) = 0.50 + Electrical balance (eq) = -1.246e-06 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Iterations = 4 + Total H = 1.110124e+05 + Total O = 5.550622e+04 + +----------------------------Distribution of species---------------------------- + + Log Log Log mole V + Species Molality Activity Molality Activity Gamma cm³/mol + + OH- 1.573e-07 8.902e-08 -6.803 -7.050 -0.247 -1.80 + H+ 1.477e-07 1.091e-07 -6.831 -6.962 -0.132 0.00 + H2O 5.551e+01 9.592e-01 1.744 -0.018 0.000 18.07 +Cl 1.200e+00 + Cl- 1.200e+00 7.200e-01 0.079 -0.143 -0.222 19.03 + HCl 8.345e-09 2.705e-08 -8.079 -7.568 0.511 (0) +H(0) 1.209e-39 + H2 6.043e-40 7.966e-40 -39.219 -39.099 0.120 28.61 +Na 1.200e+00 + Na+ 1.200e+00 8.938e-01 0.079 -0.049 -0.128 -0.20 + NaOH 6.036e-18 7.957e-18 -17.219 -17.099 0.120 (0) +O(0) 9.170e-15 + O2 4.585e-15 6.044e-15 -14.339 -14.219 0.120 30.40 + +------------------------------Saturation indices------------------------------- + + Phase SI** log IAP log K(298 K, 1 atm) + + H2(g) -36.00 -39.10 -3.10 H2 + H2O(g) -1.52 -0.02 1.50 H2O + Halite -1.76 -0.19 1.57 NaCl + O2(g) -11.33 -14.22 -2.89 O2 + +**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. + For ideal gases, phi = 1. + +Using solution 2. Solution after simulation 7. +Using reaction 2. + +Reaction 2. + + 3.000e+02 moles of the following reaction have been added: + + Relative + Reactant moles + + NaCl 1.00000 + + Relative + Element moles + Cl 1.00000 + Na 1.00000 + +-----------------------------Solution composition------------------------------ + + Elements Molality Moles + + Cl 1.200e+00 1.200e+03 + Na 1.200e+00 1.200e+03 + +----------------------------Description of solution---------------------------- + + pH = 6.660 Charge balance + pe = 13.091 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 98017 + Density (g/cm³) = 1.04347 + Volume (L) = 1025.55523 + Viscosity (mPa s) = 0.99203 + Activity of water = 0.959 + Ionic strength (mol/kgw) = 1.200e+00 + Mass of water (kg) = 1.000e+03 + Total alkalinity (eq/kg) = -2.344e-07 + Temperature (°C) = 25.00 + Electrical Potential (Volt) = 1.00 + Electrical balance (eq) = -1.246e-06 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Iterations = 4 + Total H = 1.110124e+05 + Total O = 5.550622e+04 + +----------------------------Distribution of species---------------------------- + + Log Log Log mole V + Species Molality Activity Molality Activity Gamma cm³/mol + + H+ 2.962e-07 2.186e-07 -6.528 -6.660 -0.132 0.00 + OH- 7.847e-08 4.440e-08 -7.105 -7.353 -0.247 -1.80 + H2O 5.551e+01 9.592e-01 1.744 -0.018 0.000 18.07 +Cl 1.200e+00 + Cl- 1.200e+00 7.200e-01 0.079 -0.143 -0.222 19.03 + HCl 1.673e-08 5.423e-08 -7.776 -7.266 0.511 (0) +H(0) 0.000e+00 + H2 0.000e+00 0.000e+00 -42.774 -42.654 0.120 28.61 +Na 1.200e+00 + Na+ 1.200e+00 8.938e-01 0.079 -0.049 -0.128 -0.20 + NaOH 3.011e-18 3.969e-18 -17.521 -17.401 0.120 (0) +O(0) 1.180e-07 + O2 5.900e-08 7.777e-08 -7.229 -7.109 0.120 30.40 + +------------------------------Saturation indices------------------------------- + + Phase SI** log IAP log K(298 K, 1 atm) + + H2(g) -39.55 -42.65 -3.10 H2 + H2O(g) -1.52 -0.02 1.50 H2O + Halite -1.76 -0.19 1.57 NaCl + O2(g) -4.22 -7.11 -2.89 O2 + +**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. + For ideal gases, phi = 1. + +Transport step 5. Multicomponent diffusion run 1. + +Using solution 0. Solution after simulation 7. +Using reaction 0. + +Reaction 0. + + 3.000e+02 moles of the following reaction have been added: + + Relative + Reactant moles + + NaCl 1.00000 + + Relative + Element moles + Cl 1.00000 + Na 1.00000 + +-----------------------------Solution composition------------------------------ + + Elements Molality Moles + + Cl 1.500e+00 1.500e+03 + Na 1.500e+00 1.500e+03 + +----------------------------Description of solution---------------------------- + + pH = 7.411 Charge balance + pe = -5.708 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 117096 + Density (g/cm³) = 1.05438 + Volume (L) = 1031.57510 + Viscosity (mPa s) = 1.02195 + Activity of water = 0.949 + Ionic strength (mol/kgw) = 1.500e+00 + Mass of water (kg) = 1.000e+03 + Total alkalinity (eq/kg) = 3.940e-07 + Temperature (°C) = 25.00 + Electrical balance (eq) = -1.251e-06 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Iterations = 4 + Total H = 1.110124e+05 + Total O = 5.550622e+04 + +----------------------------Distribution of species---------------------------- + + Log Log Log mole V + Species Molality Activity Molality Activity Gamma cm³/mol + + OH- 4.497e-07 2.475e-07 -6.347 -6.606 -0.259 -1.35 + H+ 5.298e-08 3.881e-08 -7.276 -7.411 -0.135 0.00 + H2O 5.551e+01 9.490e-01 1.744 -0.023 0.000 18.07 +Cl 1.500e+00 + Cl- 1.500e+00 8.866e-01 0.176 -0.052 -0.228 19.14 + HCl 2.725e-09 1.185e-08 -8.565 -7.926 0.638 (0) +H(0) 3.929e-07 + H2 1.965e-07 2.775e-07 -6.707 -6.557 0.150 28.61 +Na 1.500e+00 + Na+ 1.500e+00 1.155e+00 0.176 0.063 -0.113 -0.06 + NaOH 2.024e-17 2.859e-17 -16.694 -16.544 0.150 (0) +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -79.462 -79.312 0.150 30.40 + +------------------------------Saturation indices------------------------------- + + Phase SI** log IAP log K(298 K, 1 atm) + + H2(g) -3.46 -6.56 -3.10 H2 + H2O(g) -1.53 -0.02 1.50 H2O + Halite -1.56 0.01 1.57 NaCl + O2(g) -76.42 -79.31 -2.89 O2 + +**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. + For ideal gases, phi = 1. + +Using mix 1. +Using reaction 1. + +Mixture 1. + + 0.000e+00 Solution 0 Solution after simulation 7. + 1.000e+00 Solution 1 Solution after simulation 7. + 0.000e+00 Solution 2 Solution after simulation 7. + +Reaction 1. + + 3.000e+02 moles of the following reaction have been added: + + Relative + Reactant moles + + NaCl 1.00000 + + Relative + Element moles + Cl 1.00000 + Na 1.00000 + +-----------------------------Solution composition------------------------------ + + Elements Molality Moles + + Cl 1.500e+00 1.500e+03 + Na 1.500e+00 1.500e+03 + +----------------------------Description of solution---------------------------- + + pH = 6.959 Charge balance + pe = 11.037 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 117095 + Density (g/cm³) = 1.05438 + Volume (L) = 1031.57511 + Viscosity (mPa s) = 1.02195 + Activity of water = 0.949 + Ionic strength (mol/kgw) = 1.500e+00 + Mass of water (kg) = 1.000e+03 + Total alkalinity (eq/kg) = 1.247e-09 + Temperature (°C) = 25.00 + Electrical Potential (Volt) = 0.50 + Electrical balance (eq) = -1.246e-06 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Iterations = 4 + Total H = 1.110124e+05 + Total O = 5.550622e+04 + +----------------------------Distribution of species---------------------------- + + Log Log Log mole V + Species Molality Activity Molality Activity Gamma cm³/mol + + OH- 1.589e-07 8.745e-08 -6.799 -7.058 -0.259 -1.35 + H+ 1.499e-07 1.098e-07 -6.824 -6.959 -0.135 0.00 + H2O 5.551e+01 9.490e-01 1.744 -0.023 0.000 18.07 +Cl 1.500e+00 + Cl- 1.500e+00 8.866e-01 0.176 -0.052 -0.228 19.14 + HCl 7.713e-09 3.355e-08 -8.113 -7.474 0.638 (0) +H(0) 1.018e-39 + H2 5.092e-40 7.193e-40 -39.293 -39.143 0.150 28.61 +Na 1.500e+00 + Na+ 1.500e+00 1.155e+00 0.176 0.063 -0.113 -0.06 + NaOH 7.151e-18 1.010e-17 -17.146 -16.996 0.150 (0) +O(0) 1.027e-14 + O2 5.137e-15 7.257e-15 -14.289 -14.139 0.150 30.40 + +------------------------------Saturation indices------------------------------- + + Phase SI** log IAP log K(298 K, 1 atm) + + H2(g) -36.04 -39.14 -3.10 H2 + H2O(g) -1.53 -0.02 1.50 H2O + Halite -1.56 0.01 1.57 NaCl + O2(g) -11.25 -14.14 -2.89 O2 + +**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. + For ideal gases, phi = 1. + +Using solution 2. Solution after simulation 7. +Using reaction 2. + +Reaction 2. + + 3.000e+02 moles of the following reaction have been added: + + Relative + Reactant moles + + NaCl 1.00000 + + Relative + Element moles + Cl 1.00000 + Na 1.00000 + +-----------------------------Solution composition------------------------------ + + Elements Molality Moles + + Cl 1.500e+00 1.500e+03 + Na 1.500e+00 1.500e+03 + +----------------------------Description of solution---------------------------- + + pH = 6.506 Charge balance + pe = 13.311 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 117096 + Density (g/cm³) = 1.05438 + Volume (L) = 1031.57511 + Viscosity (mPa s) = 1.02195 + Activity of water = 0.949 + Ionic strength (mol/kgw) = 1.500e+00 + Mass of water (kg) = 1.000e+03 + Total alkalinity (eq/kg) = -3.915e-07 + Temperature (°C) = 25.00 + Electrical Potential (Volt) = 1.00 + Electrical balance (eq) = -1.246e-06 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Iterations = 4 + Total H = 1.110124e+05 + Total O = 5.550622e+04 + +----------------------------Distribution of species---------------------------- + + Log Log Log mole V + Species Molality Activity Molality Activity Gamma cm³/mol + + H+ 4.256e-07 3.118e-07 -6.371 -6.506 -0.135 0.00 + OH- 5.598e-08 3.081e-08 -7.252 -7.511 -0.259 -1.35 + H2O 5.551e+01 9.490e-01 1.744 -0.023 0.000 18.07 +Cl 1.500e+00 + Cl- 1.500e+00 8.866e-01 0.176 -0.052 -0.228 19.14 + HCl 2.189e-08 9.523e-08 -7.660 -7.021 0.638 (0) +H(0) 0.000e+00 + H2 0.000e+00 0.000e+00 -42.934 -42.784 0.150 28.61 +Na 1.500e+00 + Na+ 1.500e+00 1.155e+00 0.176 0.063 -0.113 -0.06 + NaOH 2.519e-18 3.559e-18 -17.599 -17.449 0.150 (0) +O(0) 1.965e-07 + O2 9.827e-08 1.388e-07 -7.008 -6.858 0.150 30.40 + +------------------------------Saturation indices------------------------------- + + Phase SI** log IAP log K(298 K, 1 atm) + + H2(g) -39.68 -42.78 -3.10 H2 + H2O(g) -1.53 -0.02 1.50 H2O + Halite -1.56 0.01 1.57 NaCl + O2(g) -3.97 -6.86 -2.89 O2 + +**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. + For ideal gases, phi = 1. + +Transport step 6. Multicomponent diffusion run 1. + +Using solution 0. Solution after simulation 7. +Using reaction 0. + +Reaction 0. + + 3.000e+02 moles of the following reaction have been added: + + Relative + Reactant moles + + NaCl 1.00000 + + Relative + Element moles + Cl 1.00000 + Na 1.00000 + +-----------------------------Solution composition------------------------------ + + Elements Molality Moles + + Cl 1.800e+00 1.800e+03 + Na 1.800e+00 1.800e+03 + +----------------------------Description of solution---------------------------- + + pH = 7.553 Charge balance + pe = -5.952 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 134522 + Density (g/cm³) = 1.06505 + Volume (L) = 1037.69795 + Viscosity (mPa s) = 1.05397 + Activity of water = 0.939 + Ionic strength (mol/kgw) = 1.800e+00 + Mass of water (kg) = 1.000e+03 + Total alkalinity (eq/kg) = 5.904e-07 + Temperature (°C) = 25.00 + Electrical balance (eq) = -1.251e-06 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Iterations = 4 + Total H = 1.110124e+05 + Total O = 5.550622e+04 + +----------------------------Distribution of species---------------------------- + + Log Log Log mole V + Species Molality Activity Molality Activity Gamma cm³/mol + + OH- 6.306e-07 3.393e-07 -6.200 -6.469 -0.269 -0.91 + H+ 3.846e-08 2.800e-08 -7.415 -7.553 -0.138 0.00 + H2O 5.551e+01 9.388e-01 1.744 -0.027 0.000 18.07 +Cl 1.800e+00 + Cl- 1.800e+00 1.054e+00 0.255 0.023 -0.233 19.23 + HCl 1.742e-09 1.016e-08 -8.759 -7.993 0.766 (0) +H(0) 5.893e-07 + H2 2.946e-07 4.460e-07 -6.531 -6.351 0.180 28.61 +Na 1.800e+00 + Na+ 1.800e+00 1.440e+00 0.255 0.158 -0.097 0.06 + NaOH 3.228e-17 4.886e-17 -16.491 -16.311 0.180 (0) +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -79.913 -79.733 0.180 30.40 + +------------------------------Saturation indices------------------------------- + + Phase SI** log IAP log K(298 K, 1 atm) + + H2(g) -3.25 -6.35 -3.10 H2 + H2O(g) -1.53 -0.03 1.50 H2O + Halite -1.39 0.18 1.57 NaCl + O2(g) -76.84 -79.73 -2.89 O2 + +**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. + For ideal gases, phi = 1. + +Using mix 1. +Using reaction 1. + +Mixture 1. + + 0.000e+00 Solution 0 Solution after simulation 7. + 1.000e+00 Solution 1 Solution after simulation 7. + 0.000e+00 Solution 2 Solution after simulation 7. + +Reaction 1. + + 3.000e+02 moles of the following reaction have been added: + + Relative + Reactant moles + + NaCl 1.00000 + + Relative + Element moles + Cl 1.00000 + Na 1.00000 + +-----------------------------Solution composition------------------------------ + + Elements Molality Moles + + Cl 1.800e+00 1.800e+03 + Na 1.800e+00 1.800e+03 + +----------------------------Description of solution---------------------------- + + pH = 6.957 Charge balance + pe = 11.048 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 134522 + Density (g/cm³) = 1.06505 + Volume (L) = 1037.69796 + Viscosity (mPa s) = 1.05397 + Activity of water = 0.939 + Ionic strength (mol/kgw) = 1.800e+00 + Mass of water (kg) = 1.000e+03 + Total alkalinity (eq/kg) = 1.247e-09 + Temperature (°C) = 25.00 + Electrical Potential (Volt) = 0.50 + Electrical balance (eq) = -1.246e-06 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Iterations = 4 + Total H = 1.110124e+05 + Total O = 5.550622e+04 + +----------------------------Distribution of species---------------------------- + + Log Log Log mole V + Species Molality Activity Molality Activity Gamma cm³/mol + + OH- 1.598e-07 8.601e-08 -6.796 -7.065 -0.269 -0.91 + H+ 1.517e-07 1.105e-07 -6.819 -6.957 -0.138 0.00 + H2O 5.551e+01 9.388e-01 1.744 -0.027 0.000 18.07 +Cl 1.800e+00 + Cl- 1.800e+00 1.054e+00 0.255 0.023 -0.233 19.23 + HCl 6.871e-09 4.010e-08 -8.163 -7.397 0.766 (0) +H(0) 9.140e-40 + H2 4.570e-40 6.917e-40 -39.340 -39.160 0.180 28.61 +Na 1.800e+00 + Na+ 1.800e+00 1.440e+00 0.255 0.158 -0.097 0.06 + NaOH 8.183e-18 1.239e-17 -17.087 -16.907 0.180 (0) +O(0) 1.015e-14 + O2 5.074e-15 7.679e-15 -14.295 -14.115 0.180 30.40 + +------------------------------Saturation indices------------------------------- + + Phase SI** log IAP log K(298 K, 1 atm) + + H2(g) -36.06 -39.16 -3.10 H2 + H2O(g) -1.53 -0.03 1.50 H2O + Halite -1.39 0.18 1.57 NaCl + O2(g) -11.22 -14.11 -2.89 O2 + +**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. + For ideal gases, phi = 1. + +Using solution 2. Solution after simulation 7. +Using reaction 2. + +Reaction 2. + + 3.000e+02 moles of the following reaction have been added: + + Relative + Reactant moles + + NaCl 1.00000 + + Relative + Element moles + Cl 1.00000 + Na 1.00000 + +-----------------------------Solution composition------------------------------ + + Elements Molality Moles + + Cl 1.800e+00 1.800e+03 + Na 1.800e+00 1.800e+03 + +----------------------------Description of solution---------------------------- + + pH = 6.359 Charge balance + pe = 13.512 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 134522 + Density (g/cm³) = 1.06505 + Volume (L) = 1037.69797 + Viscosity (mPa s) = 1.05397 + Activity of water = 0.939 + Ionic strength (mol/kgw) = 1.800e+00 + Mass of water (kg) = 1.000e+03 + Total alkalinity (eq/kg) = -5.879e-07 + Temperature (°C) = 25.00 + Electrical Potential (Volt) = 1.00 + Electrical balance (eq) = -1.246e-06 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Iterations = 4 + Total H = 1.110124e+05 + Total O = 5.550622e+04 + +----------------------------Distribution of species---------------------------- + + Log Log Log mole V + Species Molality Activity Molality Activity Gamma cm³/mol + + H+ 6.010e-07 4.376e-07 -6.221 -6.359 -0.138 0.00 + OH- 4.035e-08 2.171e-08 -7.394 -7.663 -0.269 -0.91 + H2O 5.551e+01 9.388e-01 1.744 -0.027 0.000 18.07 +Cl 1.800e+00 + Cl- 1.800e+00 1.054e+00 0.255 0.023 -0.233 19.23 + HCl 2.722e-08 1.588e-07 -7.565 -6.799 0.766 (0) +H(0) 0.000e+00 + H2 0.000e+00 0.000e+00 -43.072 -42.892 0.180 28.61 +Na 1.800e+00 + Na+ 1.800e+00 1.440e+00 0.255 0.158 -0.097 0.06 + NaOH 2.066e-18 3.127e-18 -17.685 -17.505 0.180 (0) +O(0) 2.947e-07 + O2 1.474e-07 2.230e-07 -6.832 -6.652 0.180 30.40 + +------------------------------Saturation indices------------------------------- + + Phase SI** log IAP log K(298 K, 1 atm) + + H2(g) -39.79 -42.89 -3.10 H2 + H2O(g) -1.53 -0.03 1.50 H2O + Halite -1.39 0.18 1.57 NaCl + O2(g) -3.76 -6.65 -2.89 O2 + +**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. + For ideal gases, phi = 1. + +Transport step 7. Multicomponent diffusion run 1. + +Using solution 0. Solution after simulation 7. +Using reaction 0. + +Reaction 0. + + 3.000e+02 moles of the following reaction have been added: + + Relative + Reactant moles + + NaCl 1.00000 + + Relative + Element moles + Cl 1.00000 + Na 1.00000 + +-----------------------------Solution composition------------------------------ + + Elements Molality Moles + + Cl 2.100e+00 2.100e+03 + Na 2.100e+00 2.100e+03 + +----------------------------Description of solution---------------------------- + + pH = 7.682 Charge balance + pe = -6.170 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 150388 + Density (g/cm³) = 1.07551 + Volume (L) = 1043.91410 + Viscosity (mPa s) = 1.08813 + Activity of water = 0.929 + Ionic strength (mol/kgw) = 2.100e+00 + Mass of water (kg) = 1.000e+03 + Total alkalinity (eq/kg) = 8.260e-07 + Temperature (°C) = 25.00 + Electrical balance (eq) = -1.251e-06 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Iterations = 4 + Total H = 1.110124e+05 + Total O = 5.550622e+04 + +----------------------------Distribution of species---------------------------- + + Log Log Log mole V + Species Molality Activity Molality Activity Gamma cm³/mol + + OH- 8.558e-07 4.520e-07 -6.068 -6.345 -0.277 -0.48 + H+ 2.869e-08 2.079e-08 -7.542 -7.682 -0.140 0.00 + H2O 5.551e+01 9.286e-01 1.744 -0.032 0.000 18.07 +Cl 2.100e+00 + Cl- 2.100e+00 1.222e+00 0.322 0.087 -0.235 19.32 + HCl 1.118e-09 8.752e-09 -8.952 -8.058 0.894 (0) +H(0) 8.249e-07 + H2 4.125e-07 6.690e-07 -6.385 -6.175 0.210 28.61 +Na 2.100e+00 + Na+ 2.100e+00 1.751e+00 0.322 0.243 -0.079 0.18 + NaOH 4.880e-17 7.914e-17 -16.312 -16.102 0.210 (0) +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -80.305 -80.095 0.210 30.40 + +------------------------------Saturation indices------------------------------- + + Phase SI** log IAP log K(298 K, 1 atm) + + H2(g) -3.07 -6.17 -3.10 H2 + H2O(g) -1.53 -0.03 1.50 H2O + Halite -1.24 0.33 1.57 NaCl + O2(g) -77.20 -80.10 -2.89 O2 + +**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. + For ideal gases, phi = 1. + +Using mix 1. +Using reaction 1. + +Mixture 1. + + 0.000e+00 Solution 0 Solution after simulation 7. + 1.000e+00 Solution 1 Solution after simulation 7. + 0.000e+00 Solution 2 Solution after simulation 7. + +Reaction 1. + + 3.000e+02 moles of the following reaction have been added: + + Relative + Reactant moles + + NaCl 1.00000 + + Relative + Element moles + Cl 1.00000 + Na 1.00000 + +-----------------------------Solution composition------------------------------ + + Elements Molality Moles + + Cl 2.100e+00 2.100e+03 + Na 2.100e+00 2.100e+03 + +----------------------------Description of solution---------------------------- + + pH = 6.955 Charge balance + pe = 11.060 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 150388 + Density (g/cm³) = 1.07551 + Volume (L) = 1043.91411 + Viscosity (mPa s) = 1.08813 + Activity of water = 0.929 + Ionic strength (mol/kgw) = 2.100e+00 + Mass of water (kg) = 1.000e+03 + Total alkalinity (eq/kg) = 1.247e-09 + Temperature (°C) = 25.00 + Electrical Potential (Volt) = 0.50 + Electrical balance (eq) = -1.246e-06 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Iterations = 4 + Total H = 1.110124e+05 + Total O = 5.550622e+04 + +----------------------------Distribution of species---------------------------- + + Log Log Log mole V + Species Molality Activity Molality Activity Gamma cm³/mol + + OH- 1.604e-07 8.469e-08 -6.795 -7.072 -0.277 -0.48 + H+ 1.531e-07 1.110e-07 -6.815 -6.955 -0.140 0.00 + H2O 5.551e+01 9.286e-01 1.744 -0.032 0.000 18.07 +Cl 2.100e+00 + Cl- 2.100e+00 1.222e+00 0.322 0.087 -0.235 19.32 + HCl 5.965e-09 4.671e-08 -8.224 -7.331 0.894 (0) +H(0) 8.172e-40 + H2 4.086e-40 6.627e-40 -39.389 -39.179 0.210 28.61 +Na 2.100e+00 + Na+ 2.100e+00 1.751e+00 0.322 0.243 -0.079 0.18 + NaOH 9.143e-18 1.483e-17 -17.039 -16.829 0.210 (0) +O(0) 1.009e-14 + O2 5.047e-15 8.186e-15 -14.297 -14.087 0.210 30.40 + +------------------------------Saturation indices------------------------------- + + Phase SI** log IAP log K(298 K, 1 atm) + + H2(g) -36.08 -39.18 -3.10 H2 + H2O(g) -1.53 -0.03 1.50 H2O + Halite -1.24 0.33 1.57 NaCl + O2(g) -11.19 -14.09 -2.89 O2 + +**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. + For ideal gases, phi = 1. + +Using solution 2. Solution after simulation 7. +Using reaction 2. + +Reaction 2. + + 3.000e+02 moles of the following reaction have been added: + + Relative + Reactant moles + + NaCl 1.00000 + + Relative + Element moles + Cl 1.00000 + Na 1.00000 + +-----------------------------Solution composition------------------------------ + + Elements Molality Moles + + Cl 2.100e+00 2.100e+03 + Na 2.100e+00 2.100e+03 + +----------------------------Description of solution---------------------------- + + pH = 6.225 Charge balance + pe = 13.692 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 150388 + Density (g/cm³) = 1.07551 + Volume (L) = 1043.91412 + Viscosity (mPa s) = 1.08813 + Activity of water = 0.929 + Ionic strength (mol/kgw) = 2.100e+00 + Mass of water (kg) = 1.000e+03 + Total alkalinity (eq/kg) = -8.235e-07 + Temperature (°C) = 25.00 + Electrical Potential (Volt) = 1.00 + Electrical balance (eq) = -1.246e-06 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Iterations = 4 + Total H = 1.110124e+05 + Total O = 5.550622e+04 + +----------------------------Distribution of species---------------------------- + + Log Log Log mole V + Species Molality Activity Molality Activity Gamma cm³/mol + + H+ 8.214e-07 5.953e-07 -6.085 -6.225 -0.140 0.00 + OH- 2.989e-08 1.579e-08 -7.524 -7.802 -0.277 -0.48 + H2O 5.551e+01 9.286e-01 1.744 -0.032 0.000 18.07 +Cl 2.100e+00 + Cl- 2.100e+00 1.222e+00 0.322 0.087 -0.235 19.32 + HCl 3.199e-08 2.505e-07 -7.495 -6.601 0.894 (0) +H(0) 0.000e+00 + H2 0.000e+00 0.000e+00 -43.194 -42.984 0.210 28.61 +Na 2.100e+00 + Na+ 2.100e+00 1.751e+00 0.322 0.243 -0.079 0.18 + NaOH 1.705e-18 2.764e-18 -17.768 -17.558 0.210 (0) +O(0) 4.125e-07 + O2 2.063e-07 3.345e-07 -6.686 -6.476 0.210 30.40 + +------------------------------Saturation indices------------------------------- + + Phase SI** log IAP log K(298 K, 1 atm) + + H2(g) -39.88 -42.98 -3.10 H2 + H2O(g) -1.53 -0.03 1.50 H2O + Halite -1.24 0.33 1.57 NaCl + O2(g) -3.58 -6.48 -2.89 O2 + +**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. + For ideal gases, phi = 1. + +Transport step 8. Multicomponent diffusion run 1. + +Using solution 0. Solution after simulation 7. +Using reaction 0. + +Reaction 0. + + 3.000e+02 moles of the following reaction have been added: + + Relative + Reactant moles + + NaCl 1.00000 + + Relative + Element moles + Cl 1.00000 + Na 1.00000 + +-----------------------------Solution composition------------------------------ + + Elements Molality Moles + + Cl 2.400e+00 2.400e+03 + Na 2.400e+00 2.400e+03 + +----------------------------Description of solution---------------------------- + + pH = 7.798 Charge balance + pe = -6.363 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 164778 + Density (g/cm³) = 1.08575 + Volume (L) = 1050.21609 + Viscosity (mPa s) = 1.12445 + Activity of water = 0.918 + Ionic strength (mol/kgw) = 2.400e+00 + Mass of water (kg) = 1.000e+03 + Total alkalinity (eq/kg) = 1.101e-06 + Temperature (°C) = 25.00 + Electrical balance (eq) = -1.251e-06 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Iterations = 4 + Total H = 1.110124e+05 + Total O = 5.550622e+04 + +----------------------------Distribution of species---------------------------- + + Log Log Log mole V + Species Molality Activity Molality Activity Gamma cm³/mol + + OH- 1.124e-06 5.842e-07 -5.949 -6.233 -0.284 -0.06 + H+ 2.205e-08 1.591e-08 -7.657 -7.798 -0.142 0.00 + H2O 5.551e+01 9.184e-01 1.744 -0.037 0.000 18.07 +Cl 2.400e+00 + Cl- 2.400e+00 1.392e+00 0.380 0.144 -0.237 19.40 + HCl 7.260e-10 7.628e-09 -9.139 -8.118 1.021 (0) +H(0) 1.100e-06 + H2 5.499e-07 9.557e-07 -6.260 -6.020 0.240 28.61 +Na 2.400e+00 + Na+ 2.400e+00 2.090e+00 0.380 0.320 -0.060 0.28 + NaOH 7.026e-17 1.221e-16 -16.153 -15.913 0.240 (0) +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -80.655 -80.415 0.240 30.40 + +------------------------------Saturation indices------------------------------- + + Phase SI** log IAP log K(298 K, 1 atm) + + H2(g) -2.92 -6.02 -3.10 H2 + H2O(g) -1.54 -0.04 1.50 H2O + Halite -1.11 0.46 1.57 NaCl + O2(g) -77.52 -80.41 -2.89 O2 + +**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. + For ideal gases, phi = 1. + +Using mix 1. +Using reaction 1. + +Mixture 1. + + 0.000e+00 Solution 0 Solution after simulation 7. + 1.000e+00 Solution 1 Solution after simulation 7. + 0.000e+00 Solution 2 Solution after simulation 7. + +Reaction 1. + + 3.000e+02 moles of the following reaction have been added: + + Relative + Reactant moles + + NaCl 1.00000 + + Relative + Element moles + Cl 1.00000 + Na 1.00000 + +-----------------------------Solution composition------------------------------ + + Elements Molality Moles + + Cl 2.400e+00 2.400e+03 + Na 2.400e+00 2.400e+03 + +----------------------------Description of solution---------------------------- + + pH = 6.953 Charge balance + pe = -1.676 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 164777 + Density (g/cm³) = 1.08575 + Volume (L) = 1050.21611 + Viscosity (mPa s) = 1.12445 + Activity of water = 0.918 + Ionic strength (mol/kgw) = 2.400e+00 + Mass of water (kg) = 1.000e+03 + Total alkalinity (eq/kg) = 1.247e-09 + Temperature (°C) = 25.00 + Electrical Potential (Volt) = 0.50 + Electrical balance (eq) = -1.246e-06 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Iterations = 16 + Total H = 1.110124e+05 + Total O = 5.550622e+04 + +----------------------------Distribution of species---------------------------- + + Log Log Log mole V + Species Molality Activity Molality Activity Gamma cm³/mol + + OH- 1.606e-07 8.349e-08 -6.794 -7.078 -0.284 -0.06 + H+ 1.543e-07 1.113e-07 -6.812 -6.953 -0.142 0.00 + H2O 5.551e+01 9.184e-01 1.744 -0.037 0.000 18.07 +Cl 2.400e+00 + Cl- 2.400e+00 1.392e+00 0.380 0.144 -0.237 19.40 + HCl 5.080e-09 5.338e-08 -8.294 -7.273 1.021 (0) +H(0) 2.277e-14 + H2 1.138e-14 1.978e-14 -13.944 -13.704 0.240 28.61 +Na 2.400e+00 + Na+ 2.400e+00 2.090e+00 0.380 0.320 -0.060 0.28 + NaOH 1.004e-17 1.745e-17 -16.998 -16.758 0.240 (0) +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -65.287 -65.047 0.240 30.40 + +------------------------------Saturation indices------------------------------- + + Phase SI** log IAP log K(298 K, 1 atm) + + H2(g) -10.60 -13.70 -3.10 H2 + H2O(g) -1.54 -0.04 1.50 H2O + Halite -1.11 0.46 1.57 NaCl + O2(g) -62.15 -65.05 -2.89 O2 + +**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. + For ideal gases, phi = 1. + +Using solution 2. Solution after simulation 7. +Using reaction 2. + +Reaction 2. + + 3.000e+02 moles of the following reaction have been added: + + Relative + Reactant moles + + NaCl 1.00000 + + Relative + Element moles + Cl 1.00000 + Na 1.00000 + +-----------------------------Solution composition------------------------------ + + Elements Molality Moles + + Cl 2.400e+00 2.400e+03 + Na 2.400e+00 2.400e+03 + +----------------------------Description of solution---------------------------- + + pH = 6.106 Charge balance + pe = 13.852 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 164778 + Density (g/cm³) = 1.08575 + Volume (L) = 1050.21612 + Viscosity (mPa s) = 1.12445 + Activity of water = 0.918 + Ionic strength (mol/kgw) = 2.400e+00 + Mass of water (kg) = 1.000e+03 + Total alkalinity (eq/kg) = -1.098e-06 + Temperature (°C) = 25.00 + Electrical Potential (Volt) = 1.00 + Electrical balance (eq) = -1.246e-06 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Iterations = 4 + Total H = 1.110124e+05 + Total O = 5.550622e+04 + +----------------------------Distribution of species---------------------------- + + Log Log Log mole V + Species Molality Activity Molality Activity Gamma cm³/mol + + H+ 1.086e-06 7.835e-07 -5.964 -6.106 -0.142 0.00 + OH- 2.282e-08 1.186e-08 -7.642 -7.926 -0.284 -0.06 + H2O 5.551e+01 9.184e-01 1.744 -0.037 0.000 18.07 +Cl 2.400e+00 + Cl- 2.400e+00 1.392e+00 0.380 0.144 -0.237 19.40 + HCl 3.575e-08 3.756e-07 -7.447 -6.425 1.021 (0) +H(0) 0.000e+00 + H2 0.000e+00 0.000e+00 -43.307 -43.067 0.240 28.61 +Na 2.400e+00 + Na+ 2.400e+00 2.090e+00 0.380 0.320 -0.060 0.28 + NaOH 1.427e-18 2.480e-18 -17.846 -17.606 0.240 (0) +O(0) 5.500e-07 + O2 2.750e-07 4.779e-07 -6.561 -6.321 0.240 30.40 + +------------------------------Saturation indices------------------------------- + + Phase SI** log IAP log K(298 K, 1 atm) + + H2(g) -39.97 -43.07 -3.10 H2 + H2O(g) -1.54 -0.04 1.50 H2O + Halite -1.11 0.46 1.57 NaCl + O2(g) -3.43 -6.32 -2.89 O2 + +**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. + For ideal gases, phi = 1. + +Transport step 9. Multicomponent diffusion run 1. + +Using solution 0. Solution after simulation 7. +Using reaction 0. + +Reaction 0. + + 3.000e+02 moles of the following reaction have been added: + + Relative + Reactant moles + + NaCl 1.00000 + + Relative + Element moles + Cl 1.00000 + Na 1.00000 + +-----------------------------Solution composition------------------------------ + + Elements Molality Moles + + Cl 2.700e+00 2.700e+03 + Na 2.700e+00 2.700e+03 + +----------------------------Description of solution---------------------------- + + pH = 7.903 Charge balance + pe = -6.537 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 177769 + Density (g/cm³) = 1.09578 + Volume (L) = 1056.59796 + Viscosity (mPa s) = 1.16296 + Activity of water = 0.908 + Ionic strength (mol/kgw) = 2.700e+00 + Mass of water (kg) = 1.000e+03 + Total alkalinity (eq/kg) = 1.415e-06 + Temperature (°C) = 25.00 + Electrical balance (eq) = -1.251e-06 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Iterations = 4 + Total H = 1.110124e+05 + Total O = 5.550622e+04 + +----------------------------Distribution of species---------------------------- + + Log Log Log mole V + Species Molality Activity Molality Activity Gamma cm³/mol + + OH- 1.433e-06 7.348e-07 -5.844 -6.134 -0.290 0.36 + H+ 1.739e-08 1.251e-08 -7.760 -7.903 -0.143 0.00 + H2O 5.551e+01 9.082e-01 1.744 -0.042 0.000 18.07 +Cl 2.700e+00 + Cl- 2.700e+00 1.563e+00 0.431 0.194 -0.237 19.48 + HCl 4.779e-10 6.738e-09 -9.321 -8.171 1.149 (0) +H(0) 1.414e-06 + H2 7.070e-07 1.317e-06 -6.151 -5.881 0.270 28.61 +Na 2.700e+00 + Na+ 2.700e+00 2.461e+00 0.431 0.391 -0.040 0.39 + NaOH 9.710e-17 1.808e-16 -16.013 -15.743 0.270 (0) +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -80.973 -80.703 0.270 30.40 + +------------------------------Saturation indices------------------------------- + + Phase SI** log IAP log K(298 K, 1 atm) + + H2(g) -2.78 -5.88 -3.10 H2 + H2O(g) -1.54 -0.04 1.50 H2O + Halite -0.98 0.59 1.57 NaCl + O2(g) -77.81 -80.70 -2.89 O2 + +**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. + For ideal gases, phi = 1. + +Using mix 1. +Using reaction 1. + +Mixture 1. + + 0.000e+00 Solution 0 Solution after simulation 7. + 1.000e+00 Solution 1 Solution after simulation 7. + 0.000e+00 Solution 2 Solution after simulation 7. + +Reaction 1. + + 3.000e+02 moles of the following reaction have been added: + + Relative + Reactant moles + + NaCl 1.00000 + + Relative + Element moles + Cl 1.00000 + Na 1.00000 + +-----------------------------Solution composition------------------------------ + + Elements Molality Moles + + Cl 2.700e+00 2.700e+03 + Na 2.700e+00 2.700e+03 + +----------------------------Description of solution---------------------------- + + pH = 6.952 Charge balance + pe = -1.659 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 177769 + Density (g/cm³) = 1.09578 + Volume (L) = 1056.59798 + Viscosity (mPa s) = 1.16296 + Activity of water = 0.908 + Ionic strength (mol/kgw) = 2.700e+00 + Mass of water (kg) = 1.000e+03 + Total alkalinity (eq/kg) = 1.247e-09 + Temperature (°C) = 25.00 + Electrical Potential (Volt) = 0.50 + Electrical balance (eq) = -1.246e-06 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Iterations = 4 + Total H = 1.110124e+05 + Total O = 5.550622e+04 + +----------------------------Distribution of species---------------------------- + + Log Log Log mole V + Species Molality Activity Molality Activity Gamma cm³/mol + + OH- 1.606e-07 8.237e-08 -6.794 -7.084 -0.290 0.36 + H+ 1.551e-07 1.116e-07 -6.809 -6.952 -0.143 0.00 + H2O 5.551e+01 9.082e-01 1.744 -0.042 0.000 18.07 +Cl 2.700e+00 + Cl- 2.700e+00 1.563e+00 0.431 0.194 -0.237 19.48 + HCl 4.263e-09 6.010e-08 -8.370 -7.221 1.149 (0) +H(0) 1.969e-14 + H2 9.843e-15 1.833e-14 -14.007 -13.737 0.270 28.61 +Na 2.700e+00 + Na+ 2.700e+00 2.461e+00 0.431 0.391 -0.040 0.39 + NaOH 1.089e-17 2.027e-17 -16.963 -16.693 0.270 (0) +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -65.260 -64.990 0.270 30.40 + +------------------------------Saturation indices------------------------------- + + Phase SI** log IAP log K(298 K, 1 atm) + + H2(g) -10.64 -13.74 -3.10 H2 + H2O(g) -1.54 -0.04 1.50 H2O + Halite -0.98 0.59 1.57 NaCl + O2(g) -62.10 -64.99 -2.89 O2 + +**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. + For ideal gases, phi = 1. + +Using solution 2. Solution after simulation 7. +Using reaction 2. + +Reaction 2. + + 3.000e+02 moles of the following reaction have been added: + + Relative + Reactant moles + + NaCl 1.00000 + + Relative + Element moles + Cl 1.00000 + Na 1.00000 + +-----------------------------Solution composition------------------------------ + + Elements Molality Moles + + Cl 2.700e+00 2.700e+03 + Na 2.700e+00 2.700e+03 + +----------------------------Description of solution---------------------------- + + pH = 5.999 Charge balance + pe = 13.996 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 177769 + Density (g/cm³) = 1.09578 + Volume (L) = 1056.59800 + Viscosity (mPa s) = 1.16296 + Activity of water = 0.908 + Ionic strength (mol/kgw) = 2.700e+00 + Mass of water (kg) = 1.000e+03 + Total alkalinity (eq/kg) = -1.413e-06 + Temperature (°C) = 25.00 + Electrical Potential (Volt) = 1.00 + Electrical balance (eq) = -1.246e-06 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Iterations = 4 + Total H = 1.110124e+05 + Total O = 5.550622e+04 + +----------------------------Distribution of species---------------------------- + + Log Log Log mole V + Species Molality Activity Molality Activity Gamma cm³/mol + + H+ 1.392e-06 1.002e-06 -5.856 -5.999 -0.143 0.00 + OH- 1.790e-08 9.179e-09 -7.747 -8.037 -0.290 0.36 + H2O 5.551e+01 9.082e-01 1.744 -0.042 0.000 18.07 +Cl 2.700e+00 + Cl- 2.700e+00 1.563e+00 0.431 0.194 -0.237 19.48 + HCl 3.826e-08 5.394e-07 -7.417 -6.268 1.149 (0) +H(0) 0.000e+00 + H2 0.000e+00 0.000e+00 -43.411 -43.141 0.270 28.61 +Na 2.700e+00 + Na+ 2.700e+00 2.461e+00 0.431 0.391 -0.040 0.39 + NaOH 1.213e-18 2.259e-18 -17.916 -17.646 0.270 (0) +O(0) 7.071e-07 + O2 3.535e-07 6.583e-07 -6.452 -6.182 0.270 30.40 + +------------------------------Saturation indices------------------------------- + + Phase SI** log IAP log K(298 K, 1 atm) + + H2(g) -40.04 -43.14 -3.10 H2 + H2O(g) -1.54 -0.04 1.50 H2O + Halite -0.98 0.59 1.57 NaCl + O2(g) -3.29 -6.18 -2.89 O2 + +**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. + For ideal gases, phi = 1. + +Transport step 10. Multicomponent diffusion run 1. + +Using solution 0. Solution after simulation 7. +Using reaction 0. + +Reaction 0. + + 3.000e+02 moles of the following reaction have been added: + + Relative + Reactant moles + + NaCl 1.00000 + + Relative + Element moles + Cl 1.00000 + Na 1.00000 + +-----------------------------Solution composition------------------------------ + + Elements Molality Moles + + Cl 3.000e+00 3.000e+03 + Na 3.000e+00 3.000e+03 + +----------------------------Description of solution---------------------------- + + pH = 7.997 Charge balance + pe = -6.695 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 189441 + Density (g/cm³) = 1.10562 + Volume (L) = 1063.05479 + Viscosity (mPa s) = 1.20369 + Activity of water = 0.898 + Ionic strength (mol/kgw) = 3.000e+00 + Mass of water (kg) = 1.000e+03 + Total alkalinity (eq/kg) = 1.769e-06 + Temperature (°C) = 25.00 + Electrical balance (eq) = -1.232e-06 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Iterations = 3 + Total H = 1.110124e+05 + Total O = 5.550622e+04 + +----------------------------Distribution of species---------------------------- + + Log Log Log mole V + Species Molality Activity Molality Activity Gamma cm³/mol + + OH- 1.783e-06 9.033e-07 -5.749 -6.044 -0.295 0.77 + H+ 1.403e-08 1.006e-08 -7.853 -7.997 -0.144 0.00 + H2O 5.551e+01 8.980e-01 1.744 -0.047 0.000 18.07 +Cl 3.000e+00 + Cl- 3.000e+00 1.738e+00 0.477 0.240 -0.237 19.55 + HCl 3.184e-10 6.023e-09 -9.497 -8.220 1.277 (0) +H(0) 1.767e-06 + H2 8.837e-07 1.763e-06 -6.054 -5.754 0.300 28.61 +Na 3.000e+00 + Na+ 3.000e+00 2.865e+00 0.477 0.457 -0.020 0.48 + NaOH 1.297e-16 2.588e-16 -15.887 -15.587 0.300 (0) +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -81.266 -80.966 0.300 30.40 + +------------------------------Saturation indices------------------------------- + + Phase SI** log IAP log K(298 K, 1 atm) + + H2(g) -2.65 -5.75 -3.10 H2 + H2O(g) -1.55 -0.05 1.50 H2O + Halite -0.87 0.70 1.57 NaCl + O2(g) -78.07 -80.97 -2.89 O2 + +**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. + For ideal gases, phi = 1. + +Using mix 1. +Using reaction 1. + +Mixture 1. + + 0.000e+00 Solution 0 Solution after simulation 7. + 1.000e+00 Solution 1 Solution after simulation 7. + 0.000e+00 Solution 2 Solution after simulation 7. + +Reaction 1. + + 3.000e+02 moles of the following reaction have been added: + + Relative + Reactant moles + + NaCl 1.00000 + + Relative + Element moles + Cl 1.00000 + Na 1.00000 + +-----------------------------Solution composition------------------------------ + + Elements Molality Moles + + Cl 3.000e+00 3.000e+03 + Na 3.000e+00 3.000e+03 + +----------------------------Description of solution---------------------------- + + pH = 6.952 Charge balance + pe = -1.712 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 189441 + Density (g/cm³) = 1.10562 + Volume (L) = 1063.05481 + Viscosity (mPa s) = 1.20369 + Activity of water = 0.898 + Ionic strength (mol/kgw) = 3.000e+00 + Mass of water (kg) = 1.000e+03 + Total alkalinity (eq/kg) = 1.247e-09 + Temperature (°C) = 25.00 + Electrical Potential (Volt) = 0.50 + Electrical balance (eq) = -1.227e-06 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Iterations = 3 + Total H = 1.110124e+05 + Total O = 5.550622e+04 + +----------------------------Distribution of species---------------------------- + + Log Log Log mole V + Species Molality Activity Molality Activity Gamma cm³/mol + + OH- 1.606e-07 8.135e-08 -6.794 -7.090 -0.295 0.77 + H+ 1.558e-07 1.117e-07 -6.807 -6.952 -0.144 0.00 + H2O 5.551e+01 8.980e-01 1.744 -0.047 0.000 18.07 +Cl 3.000e+00 + Cl- 3.000e+00 1.738e+00 0.477 0.240 -0.237 19.55 + HCl 3.536e-09 6.688e-08 -8.452 -7.175 1.277 (0) +H(0) 2.352e-14 + H2 1.176e-14 2.347e-14 -13.930 -13.630 0.300 28.61 +Na 3.000e+00 + Na+ 3.000e+00 2.865e+00 0.477 0.457 -0.020 0.48 + NaOH 1.168e-17 2.331e-17 -16.933 -16.632 0.300 (0) +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -65.514 -65.214 0.300 30.40 + +------------------------------Saturation indices------------------------------- + + Phase SI** log IAP log K(298 K, 1 atm) + + H2(g) -10.53 -13.63 -3.10 H2 + H2O(g) -1.55 -0.05 1.50 H2O + Halite -0.87 0.70 1.57 NaCl + O2(g) -62.32 -65.21 -2.89 O2 + +**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. + For ideal gases, phi = 1. + +Using solution 2. Solution after simulation 7. +Using reaction 2. + +Reaction 2. + + 3.000e+02 moles of the following reaction have been added: + + Relative + Reactant moles + + NaCl 1.00000 + + Relative + Element moles + Cl 1.00000 + Na 1.00000 + +-----------------------------Solution composition------------------------------ + + Elements Molality Moles + + Cl 3.000e+00 3.000e+03 + Na 3.000e+00 3.000e+03 + +----------------------------Description of solution---------------------------- + + pH = 5.904 Charge balance + pe = 14.126 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 189441 + Density (g/cm³) = 1.10562 + Volume (L) = 1063.05483 + Viscosity (mPa s) = 1.20369 + Activity of water = 0.898 + Ionic strength (mol/kgw) = 3.000e+00 + Mass of water (kg) = 1.000e+03 + Total alkalinity (eq/kg) = -1.766e-06 + Temperature (°C) = 25.00 + Electrical Potential (Volt) = 1.00 + Electrical balance (eq) = -1.227e-06 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Iterations = 3 + Total H = 1.110124e+05 + Total O = 5.550622e+04 + +----------------------------Distribution of species---------------------------- + + Log Log Log mole V + Species Molality Activity Molality Activity Gamma cm³/mol + + H+ 1.741e-06 1.249e-06 -5.759 -5.904 -0.144 0.00 + OH- 1.437e-08 7.279e-09 -7.843 -8.138 -0.295 0.77 + H2O 5.551e+01 8.980e-01 1.744 -0.047 0.000 18.07 +Cl 3.000e+00 + Cl- 3.000e+00 1.738e+00 0.477 0.240 -0.237 19.55 + HCl 3.951e-08 7.474e-07 -7.403 -6.126 1.277 (0) +H(0) 0.000e+00 + H2 0.000e+00 0.000e+00 -43.509 -43.209 0.300 28.61 +Na 3.000e+00 + Na+ 3.000e+00 2.865e+00 0.477 0.457 -0.020 0.48 + NaOH 1.045e-18 2.086e-18 -17.981 -17.681 0.300 (0) +O(0) 8.838e-07 + O2 4.419e-07 8.817e-07 -6.355 -6.055 0.300 30.40 + +------------------------------Saturation indices------------------------------- + + Phase SI** log IAP log K(298 K, 1 atm) + + H2(g) -40.11 -43.21 -3.10 H2 + H2O(g) -1.55 -0.05 1.50 H2O + Halite -0.87 0.70 1.57 NaCl + O2(g) -3.16 -6.05 -2.89 O2 + +**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. + For ideal gases, phi = 1. + +Transport step 11. Multicomponent diffusion run 1. + +Using solution 0. Solution after simulation 7. +Using reaction 0. + +Reaction 0. + + 3.000e+02 moles of the following reaction have been added: + + Relative + Reactant moles + + NaCl 1.00000 + + Relative + Element moles + Cl 1.00000 + Na 1.00000 + +-----------------------------Solution composition------------------------------ + + Elements Molality Moles + + Cl 3.300e+00 3.300e+03 + Na 3.300e+00 3.300e+03 + +----------------------------Description of solution---------------------------- + + pH = 8.084 Charge balance + pe = -6.840 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 199871 + Density (g/cm³) = 1.11526 + Volume (L) = 1069.58243 + Viscosity (mPa s) = 1.24665 + Activity of water = 0.888 + Ionic strength (mol/kgw) = 3.300e+00 + Mass of water (kg) = 1.000e+03 + Total alkalinity (eq/kg) = 2.161e-06 + Temperature (°C) = 25.00 + Electrical balance (eq) = -1.223e-06 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Iterations = 3 + Total H = 1.110124e+05 + Total O = 5.550622e+04 + +----------------------------Distribution of species---------------------------- + + Log Log Log mole V + Species Molality Activity Molality Activity Gamma cm³/mol + + OH- 2.173e-06 1.089e-06 -5.663 -5.963 -0.300 1.17 + H+ 1.153e-08 8.250e-09 -7.938 -8.084 -0.145 0.00 + H2O 5.551e+01 8.878e-01 1.744 -0.052 0.000 18.07 +Cl 3.300e+00 + Cl- 3.300e+00 1.914e+00 0.519 0.282 -0.237 19.62 + HCl 2.144e-10 5.441e-09 -9.669 -8.264 1.405 (0) +H(0) 2.160e-06 + H2 1.080e-06 2.309e-06 -5.967 -5.637 0.330 28.61 +Na 3.300e+00 + Na+ 3.300e+00 3.307e+00 0.519 0.519 0.001 0.57 + NaOH 1.684e-16 3.601e-16 -15.774 -15.444 0.330 (0) +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -81.540 -81.210 0.330 30.40 + +------------------------------Saturation indices------------------------------- + + Phase SI** log IAP log K(298 K, 1 atm) + + H2(g) -2.54 -5.64 -3.10 H2 + H2O(g) -1.55 -0.05 1.50 H2O + Halite -0.77 0.80 1.57 NaCl + O2(g) -78.32 -81.21 -2.89 O2 + +**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. + For ideal gases, phi = 1. + +Using mix 1. +Using reaction 1. + +Mixture 1. + + 0.000e+00 Solution 0 Solution after simulation 7. + 1.000e+00 Solution 1 Solution after simulation 7. + 0.000e+00 Solution 2 Solution after simulation 7. + +Reaction 1. + + 3.000e+02 moles of the following reaction have been added: + + Relative + Reactant moles + + NaCl 1.00000 + + Relative + Element moles + Cl 1.00000 + Na 1.00000 + +-----------------------------Solution composition------------------------------ + + Elements Molality Moles + + Cl 3.300e+00 3.300e+03 + Na 3.300e+00 3.300e+03 + +----------------------------Description of solution---------------------------- + + pH = 6.952 Charge balance + pe = -1.750 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 199870 + Density (g/cm³) = 1.11526 + Volume (L) = 1069.58245 + Viscosity (mPa s) = 1.24665 + Activity of water = 0.888 + Ionic strength (mol/kgw) = 3.300e+00 + Mass of water (kg) = 1.000e+03 + Total alkalinity (eq/kg) = 1.246e-09 + Temperature (°C) = 25.00 + Electrical Potential (Volt) = 0.50 + Electrical balance (eq) = -1.218e-06 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Iterations = 3 + Total H = 1.110124e+05 + Total O = 5.550622e+04 + +----------------------------Distribution of species---------------------------- + + Log Log Log mole V + Species Molality Activity Molality Activity Gamma cm³/mol + + OH- 1.604e-07 8.039e-08 -6.795 -7.095 -0.300 1.17 + H+ 1.562e-07 1.118e-07 -6.806 -6.952 -0.145 0.00 + H2O 5.551e+01 8.878e-01 1.744 -0.052 0.000 18.07 +Cl 3.300e+00 + Cl- 3.300e+00 1.914e+00 0.519 0.282 -0.237 19.62 + HCl 2.904e-09 7.371e-08 -8.537 -7.132 1.405 (0) +H(0) 2.614e-14 + H2 1.307e-14 2.794e-14 -13.884 -13.554 0.330 28.61 +Na 3.300e+00 + Na+ 3.300e+00 3.307e+00 0.519 0.519 0.001 0.57 + NaOH 1.243e-17 2.658e-17 -16.905 -16.575 0.330 (0) +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -65.706 -65.376 0.330 30.40 + +------------------------------Saturation indices------------------------------- + + Phase SI** log IAP log K(298 K, 1 atm) + + H2(g) -10.45 -13.55 -3.10 H2 + H2O(g) -1.55 -0.05 1.50 H2O + Halite -0.77 0.80 1.57 NaCl + O2(g) -62.48 -65.38 -2.89 O2 + +**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. + For ideal gases, phi = 1. + +Using solution 2. Solution after simulation 7. +Using reaction 2. + +Reaction 2. + + 3.000e+02 moles of the following reaction have been added: + + Relative + Reactant moles + + NaCl 1.00000 + + Relative + Element moles + Cl 1.00000 + Na 1.00000 + +-----------------------------Solution composition------------------------------ + + Elements Molality Moles + + Cl 3.300e+00 3.300e+03 + Na 3.300e+00 3.300e+03 + +----------------------------Description of solution---------------------------- + + pH = 5.817 Charge balance + pe = 14.245 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 199871 + Density (g/cm³) = 1.11526 + Volume (L) = 1069.58248 + Viscosity (mPa s) = 1.24665 + Activity of water = 0.888 + Ionic strength (mol/kgw) = 3.300e+00 + Mass of water (kg) = 1.000e+03 + Total alkalinity (eq/kg) = -2.159e-06 + Temperature (°C) = 25.00 + Electrical Potential (Volt) = 1.00 + Electrical balance (eq) = -1.218e-06 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Iterations = 3 + Total H = 1.110124e+05 + Total O = 5.550622e+04 + +----------------------------Distribution of species---------------------------- + + Log Log Log mole V + Species Molality Activity Molality Activity Gamma cm³/mol + + H+ 2.131e-06 1.525e-06 -5.671 -5.817 -0.145 0.00 + OH- 1.176e-08 5.894e-09 -7.930 -8.230 -0.300 1.17 + H2O 5.551e+01 8.878e-01 1.744 -0.052 0.000 18.07 +Cl 3.300e+00 + Cl- 3.300e+00 1.914e+00 0.519 0.282 -0.237 19.62 + HCl 3.961e-08 1.005e-06 -7.402 -5.998 1.405 (0) +H(0) 0.000e+00 + H2 0.000e+00 0.000e+00 -43.603 -43.273 0.330 28.61 +Na 3.300e+00 + Na+ 3.300e+00 3.307e+00 0.519 0.519 0.001 0.57 + NaOH 9.116e-19 1.949e-18 -18.040 -17.710 0.330 (0) +O(0) 1.080e-06 + O2 5.401e-07 1.155e-06 -6.268 -5.938 0.330 30.40 + +------------------------------Saturation indices------------------------------- + + Phase SI** log IAP log K(298 K, 1 atm) + + H2(g) -40.17 -43.27 -3.10 H2 + H2O(g) -1.55 -0.05 1.50 H2O + Halite -0.77 0.80 1.57 NaCl + O2(g) -3.05 -5.94 -2.89 O2 + +**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. + For ideal gases, phi = 1. + +------------------ +End of simulation. +------------------ + +------------------------------------ +Reading input data for simulation 8. +------------------------------------ + + SOLUTION_SPREAD + units mol/kgw + number Cl Na pH + 1 1.0047e-01 1.0047e-01 7 charge + 2 1.2564e-01 1.2564e-01 7 charge + 3 1.5084e-01 1.5084e-01 7 charge + 4 1.7606e-01 1.7606e-01 7 charge + 5 2.0131e-01 2.0131e-01 7 charge + 6 2.5184e-01 2.5184e-01 7 charge + 7 3.0249e-01 3.0249e-01 7 charge + 8 4.0407e-01 4.0407e-01 7 charge + 9 5.0603e-01 5.0603e-01 7 charge + 10 6.0844e-01 6.0844e-01 7 charge + 11 7.1117e-01 7.1117e-01 7 charge + 12 8.1438e-01 8.1438e-01 7 charge + 13 9.1799e-01 9.1799e-01 7 charge + 14 1.0220e+00 1.0220e+00 7 charge + 15 1.2314e+00 1.2314e+00 7 charge + 16 1.4426e+00 1.4426e+00 7 charge + 17 1.6556e+00 1.6556e+00 7 charge + 18 1.8705e+00 1.8705e+00 7 charge + 19 2.0872e+00 2.0872e+00 7 charge + 20 2.6383e+00 2.6383e+00 7 charge + 21 3.2025e+00 3.2025e+00 7 charge + 22 3.7807e+00 3.7807e+00 7 charge + 23 4.3738e+00 4.3738e+00 7 charge + 24 4.9828e+00 4.9828e+00 7 charge + 25 5.6092e+00 5.6092e+00 7 charge + 26 6.0587e+00 6.0587e+00 7 charge + USER_GRAPH 1 + -initial_solutions true + -headings measured..SC + 10 DATA 106.24, 104.67, 103.34, 102.12, 101.05, 99.16, 97.56, 94.81, 92.50, 90.46, 88.63, 86.95, 85.38, 83.91, 81.14, 78.56, 76.12, 73.81, 71.59, 66.35, 61.42, 56.78, 52.34, 48.12, 44.09, 41.38, 100.82, 94.97, 90.75, 87.58, 84.16, 81.59, 77.79, 74.49, 68.35, 62.96, 57.89, 53.47, 48.96, 101.05, 92.84, 84.27, 72.44, 63.12, 55.10, 124.50, 123.70, 122.70, 120.60, 118.53, 115.80, 111.10, 106.70, 100.82, 0.379, 0.372, 0.369, 0.366, 0.364, 0.363, 0.362, 0.360, 0.359, 0.358, 0.357, 0.356, 0.354, 0.353, 0.353, 0.353, 0.352, 0.352 + 20 restore 10 : dim HB(100) : for i = 1 to cell_no : READ HB(i) : next i + 30 plot_xy tot("Cl"), tot("Cl") * HB(cell_no), line_width = 0, color = Magenta, symbol = XCross +------------------------------------------- +Beginning of initial solution calculations. +------------------------------------------- + +Initial solution 1. + +-----------------------------Solution composition------------------------------ + + Elements Molality Moles + + Cl 1.005e-01 1.005e-01 + Na 1.005e-01 1.005e-01 + +----------------------------Description of solution---------------------------- + + pH = 6.985 Charge balance + pe = 4.000 + Specific Conductance (µS/cm, 25°C) = 10655 + Density (g/cm³) = 1.00117 + Volume (L) = 1.00470 + Viscosity (mPa s) = 0.89858 + Activity of water = 0.997 + Ionic strength (mol/kgw) = 1.005e-01 + Mass of water (kg) = 1.000e+00 + Total alkalinity (eq/kg) = 9.737e-19 + Temperature (°C) = 25.00 + Electrical balance (eq) = -4.848e-14 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Iterations = 4 + Total H = 1.110124e+02 + Total O = 5.550622e+01 + +----------------------------Distribution of species---------------------------- + + Log Log Log mole V + Species Molality Activity Molality Activity Gamma cm³/mol + + OH- 1.280e-07 9.742e-08 -6.893 -7.011 -0.118 -3.73 + H+ 1.255e-07 1.035e-07 -6.901 -6.985 -0.083 0.00 + H2O 5.551e+01 9.966e-01 1.744 -0.001 0.000 18.07 +Cl 1.005e-01 + Cl- 1.005e-01 7.699e-02 -0.998 -1.114 -0.116 18.34 + HCl 2.489e-09 2.746e-09 -8.604 -8.561 0.043 (0) +H(0) 1.483e-25 + H2 7.417e-26 7.590e-26 -25.130 -25.120 0.010 28.61 +Na 1.005e-01 + Na+ 1.005e-01 7.885e-02 -0.998 -1.103 -0.105 -1.09 + NaOH 7.506e-19 7.681e-19 -18.125 -18.115 0.010 (0) +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -42.154 -42.143 0.010 30.40 + +------------------------------Saturation indices------------------------------- + + Phase SI** log IAP log K(298 K, 1 atm) + + H2(g) -22.02 -25.12 -3.10 H2 + H2O(g) -1.50 -0.00 1.50 H2O + Halite -3.79 -2.22 1.57 NaCl + O2(g) -39.25 -42.14 -2.89 O2 + +**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. + For ideal gases, phi = 1. + +Initial solution 2. + +-----------------------------Solution composition------------------------------ + + Elements Molality Moles + + Cl 1.256e-01 1.256e-01 + Na 1.256e-01 1.256e-01 + +----------------------------Description of solution---------------------------- + + pH = 6.983 Charge balance + pe = 4.000 + Specific Conductance (µS/cm, 25°C) = 13126 + Density (g/cm³) = 1.00219 + Volume (L) = 1.00514 + Viscosity (mPa s) = 0.90052 + Activity of water = 0.996 + Ionic strength (mol/kgw) = 1.256e-01 + Mass of water (kg) = 1.000e+00 + Total alkalinity (eq/kg) = -1.020e-17 + Temperature (°C) = 25.00 + Electrical balance (eq) = -1.750e-13 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Iterations = 4 (8 overall) + Total H = 1.110124e+02 + Total O = 5.550622e+01 + +----------------------------Distribution of species---------------------------- + + Log Log Log mole V + Species Molality Activity Molality Activity Gamma cm³/mol + + OH- 1.303e-07 9.697e-08 -6.885 -7.013 -0.128 -3.67 + H+ 1.274e-07 1.039e-07 -6.895 -6.983 -0.088 0.00 + H2O 5.551e+01 9.957e-01 1.744 -0.002 0.000 18.07 +Cl 1.256e-01 + Cl- 1.256e-01 9.423e-02 -0.901 -1.026 -0.125 18.37 + HCl 2.983e-09 3.374e-09 -8.525 -8.472 0.053 (0) +H(0) 1.486e-25 + H2 7.429e-26 7.647e-26 -25.129 -25.117 0.013 28.61 +Na 1.256e-01 + Na+ 1.256e-01 9.702e-02 -0.901 -1.013 -0.112 -1.04 + NaOH 9.140e-19 9.408e-19 -18.039 -18.026 0.013 (0) +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -42.163 -42.151 0.013 30.40 + +------------------------------Saturation indices------------------------------- + + Phase SI** log IAP log K(298 K, 1 atm) + + H2(g) -22.02 -25.12 -3.10 H2 + H2O(g) -1.50 -0.00 1.50 H2O + Halite -3.61 -2.04 1.57 NaCl + O2(g) -39.26 -42.15 -2.89 O2 + +**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. + For ideal gases, phi = 1. + +Initial solution 3. + +-----------------------------Solution composition------------------------------ + + Elements Molality Moles + + Cl 1.508e-01 1.508e-01 + Na 1.508e-01 1.508e-01 + +----------------------------Description of solution---------------------------- + + pH = 6.982 Charge balance + pe = 4.000 + Specific Conductance (µS/cm, 25°C) = 15554 + Density (g/cm³) = 1.00321 + Volume (L) = 1.00559 + Viscosity (mPa s) = 0.90246 + Activity of water = 0.995 + Ionic strength (mol/kgw) = 1.508e-01 + Mass of water (kg) = 1.000e+00 + Total alkalinity (eq/kg) = -1.273e-18 + Temperature (°C) = 25.00 + Electrical balance (eq) = -4.729e-13 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Iterations = 4 (12 overall) + Total H = 1.110124e+02 + Total O = 5.550622e+01 + +----------------------------Distribution of species---------------------------- + + Log Log Log mole V + Species Molality Activity Molality Activity Gamma cm³/mol + + OH- 1.324e-07 9.657e-08 -6.878 -7.015 -0.137 -3.61 + H+ 1.289e-07 1.043e-07 -6.890 -6.982 -0.092 0.00 + H2O 5.551e+01 9.949e-01 1.744 -0.002 0.000 18.07 +Cl 1.508e-01 + Cl- 1.508e-01 1.111e-01 -0.821 -0.954 -0.133 18.40 + HCl 3.442e-09 3.990e-09 -8.463 -8.399 0.064 (0) +H(0) 1.487e-25 + H2 7.434e-26 7.697e-26 -25.129 -25.114 0.015 28.61 +Na 1.508e-01 + Na+ 1.508e-01 1.150e-01 -0.821 -0.939 -0.118 -1.00 + NaOH 1.072e-18 1.110e-18 -17.970 -17.955 0.015 (0) +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -42.172 -42.157 0.015 30.40 + +------------------------------Saturation indices------------------------------- + + Phase SI** log IAP log K(298 K, 1 atm) + + H2(g) -22.01 -25.11 -3.10 H2 + H2O(g) -1.51 -0.00 1.50 H2O + Halite -3.46 -1.89 1.57 NaCl + O2(g) -39.26 -42.16 -2.89 O2 + +**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. + For ideal gases, phi = 1. + +Initial solution 4. + +-----------------------------Solution composition------------------------------ + + Elements Molality Moles + + Cl 1.761e-01 1.761e-01 + Na 1.761e-01 1.761e-01 + +----------------------------Description of solution---------------------------- + + pH = 6.981 Charge balance + pe = 4.000 + Specific Conductance (µS/cm, 25°C) = 17945 + Density (g/cm³) = 1.00422 + Volume (L) = 1.00604 + Viscosity (mPa s) = 0.90441 + Activity of water = 0.994 + Ionic strength (mol/kgw) = 1.761e-01 + Mass of water (kg) = 1.000e+00 + Total alkalinity (eq/kg) = 4.524e-18 + Temperature (°C) = 25.00 + Electrical balance (eq) = -1.051e-12 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Iterations = 4 (16 overall) + Total H = 1.110124e+02 + Total O = 5.550622e+01 + +----------------------------Distribution of species---------------------------- + + Log Log Log mole V + Species Molality Activity Molality Activity Gamma cm³/mol + + OH- 1.342e-07 9.622e-08 -6.872 -7.017 -0.144 -3.55 + H+ 1.303e-07 1.046e-07 -6.885 -6.981 -0.096 0.00 + H2O 5.551e+01 9.940e-01 1.744 -0.003 0.000 18.07 +Cl 1.761e-01 + Cl- 1.761e-01 1.276e-01 -0.754 -0.894 -0.140 18.43 + HCl 3.869e-09 4.598e-09 -8.412 -8.337 0.075 (0) +H(0) 1.487e-25 + H2 7.433e-26 7.741e-26 -25.129 -25.111 0.018 28.61 +Na 1.761e-01 + Na+ 1.761e-01 1.328e-01 -0.754 -0.877 -0.123 -0.96 + NaOH 1.227e-18 1.278e-18 -17.911 -17.894 0.018 (0) +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -42.180 -42.163 0.018 30.40 + +------------------------------Saturation indices------------------------------- + + Phase SI** log IAP log K(298 K, 1 atm) + + H2(g) -22.01 -25.11 -3.10 H2 + H2O(g) -1.51 -0.00 1.50 H2O + Halite -3.34 -1.77 1.57 NaCl + O2(g) -39.27 -42.16 -2.89 O2 + +**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. + For ideal gases, phi = 1. + +Initial solution 5. + +-----------------------------Solution composition------------------------------ + + Elements Molality Moles + + Cl 2.013e-01 2.013e-01 + Na 2.013e-01 2.013e-01 + +----------------------------Description of solution---------------------------- + + pH = 6.980 Charge balance + pe = 4.000 + Specific Conductance (µS/cm, 25°C) = 20304 + Density (g/cm³) = 1.00524 + Volume (L) = 1.00649 + Viscosity (mPa s) = 0.90635 + Activity of water = 0.993 + Ionic strength (mol/kgw) = 2.013e-01 + Mass of water (kg) = 1.000e+00 + Total alkalinity (eq/kg) = 2.183e-17 + Temperature (°C) = 25.00 + Electrical balance (eq) = -2.034e-12 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Iterations = 4 (20 overall) + Total H = 1.110124e+02 + Total O = 5.550622e+01 + +----------------------------Distribution of species---------------------------- + + Log Log Log mole V + Species Molality Activity Molality Activity Gamma cm³/mol + + OH- 1.357e-07 9.589e-08 -6.867 -7.018 -0.151 -3.50 + H+ 1.315e-07 1.048e-07 -6.881 -6.980 -0.098 0.00 + H2O 5.551e+01 9.932e-01 1.744 -0.003 0.000 18.07 +Cl 2.013e-01 + Cl- 2.013e-01 1.439e-01 -0.696 -0.842 -0.146 18.46 + HCl 4.268e-09 5.198e-09 -8.370 -8.284 0.086 (0) +H(0) 1.486e-25 + H2 7.428e-26 7.780e-26 -25.129 -25.109 0.020 28.61 +Na 2.013e-01 + Na+ 2.013e-01 1.505e-01 -0.696 -0.823 -0.126 -0.93 + NaOH 1.378e-18 1.443e-18 -17.861 -17.841 0.020 (0) +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -42.188 -42.168 0.020 30.40 + +------------------------------Saturation indices------------------------------- + + Phase SI** log IAP log K(298 K, 1 atm) + + H2(g) -22.01 -25.11 -3.10 H2 + H2O(g) -1.51 -0.00 1.50 H2O + Halite -3.23 -1.66 1.57 NaCl + O2(g) -39.28 -42.17 -2.89 O2 + +**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. + For ideal gases, phi = 1. + +Initial solution 6. + +-----------------------------Solution composition------------------------------ + + Elements Molality Moles + + Cl 2.518e-01 2.518e-01 + Na 2.518e-01 2.518e-01 + +----------------------------Description of solution---------------------------- + + pH = 6.978 Charge balance + pe = 4.000 + Specific Conductance (µS/cm, 25°C) = 24931 + Density (g/cm³) = 1.00726 + Volume (L) = 1.00741 + Viscosity (mPa s) = 0.91026 + Activity of water = 0.991 + Ionic strength (mol/kgw) = 2.518e-01 + Mass of water (kg) = 1.000e+00 + Total alkalinity (eq/kg) = 1.249e-17 + Temperature (°C) = 25.00 + Electrical balance (eq) = -5.723e-12 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Iterations = 4 (24 overall) + Total H = 1.110124e+02 + Total O = 5.550622e+01 + +----------------------------Distribution of species---------------------------- + + Log Log Log mole V + Species Molality Activity Molality Activity Gamma cm³/mol + + OH- 1.385e-07 9.530e-08 -6.859 -7.021 -0.162 -3.39 + H+ 1.335e-07 1.053e-07 -6.875 -6.978 -0.103 0.00 + H2O 5.551e+01 9.914e-01 1.744 -0.004 0.000 18.07 +Cl 2.518e-01 + Cl- 2.518e-01 1.759e-01 -0.599 -0.755 -0.156 18.51 + HCl 4.985e-09 6.381e-09 -8.302 -8.195 0.107 (0) +H(0) 1.481e-25 + H2 7.407e-26 7.849e-26 -25.130 -25.105 0.025 28.61 +Na 2.518e-01 + Na+ 2.518e-01 1.857e-01 -0.599 -0.731 -0.132 -0.87 + NaOH 1.670e-18 1.769e-18 -17.777 -17.752 0.025 (0) +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -42.202 -42.177 0.025 30.40 + +------------------------------Saturation indices------------------------------- + + Phase SI** log IAP log K(298 K, 1 atm) + + H2(g) -22.00 -25.11 -3.10 H2 + H2O(g) -1.51 -0.00 1.50 H2O + Halite -3.06 -1.49 1.57 NaCl + O2(g) -39.28 -42.18 -2.89 O2 + +**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. + For ideal gases, phi = 1. + +Initial solution 7. + +-----------------------------Solution composition------------------------------ + + Elements Molality Moles + + Cl 3.025e-01 3.025e-01 + Na 3.025e-01 3.025e-01 + +----------------------------Description of solution---------------------------- + + pH = 6.976 Charge balance + pe = 4.000 + Specific Conductance (µS/cm, 25°C) = 29461 + Density (g/cm³) = 1.00927 + Volume (L) = 1.00833 + Viscosity (mPa s) = 0.91420 + Activity of water = 0.990 + Ionic strength (mol/kgw) = 3.025e-01 + Mass of water (kg) = 1.000e+00 + Total alkalinity (eq/kg) = -2.808e-17 + Temperature (°C) = 25.00 + Electrical balance (eq) = -1.248e-11 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Iterations = 4 (28 overall) + Total H = 1.110124e+02 + Total O = 5.550622e+01 + +----------------------------Distribution of species---------------------------- + + Log Log Log mole V + Species Molality Activity Molality Activity Gamma cm³/mol + + OH- 1.408e-07 9.478e-08 -6.851 -7.023 -0.172 -3.29 + H+ 1.352e-07 1.057e-07 -6.869 -6.976 -0.107 0.00 + H2O 5.551e+01 9.897e-01 1.744 -0.004 0.000 18.07 +Cl 3.025e-01 + Cl- 3.025e-01 2.072e-01 -0.519 -0.684 -0.164 18.55 + HCl 5.610e-09 7.545e-09 -8.251 -8.122 0.129 (0) +H(0) 1.475e-25 + H2 7.377e-26 7.909e-26 -25.132 -25.102 0.030 28.61 +Na 3.025e-01 + Na+ 3.025e-01 2.208e-01 -0.519 -0.656 -0.137 -0.81 + NaOH 1.952e-18 2.093e-18 -17.710 -17.679 0.030 (0) +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -42.215 -42.185 0.030 30.40 + +------------------------------Saturation indices------------------------------- + + Phase SI** log IAP log K(298 K, 1 atm) + + H2(g) -22.00 -25.10 -3.10 H2 + H2O(g) -1.51 -0.00 1.50 H2O + Halite -2.91 -1.34 1.57 NaCl + O2(g) -39.29 -42.19 -2.89 O2 + +**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. + For ideal gases, phi = 1. + +Initial solution 8. + +-----------------------------Solution composition------------------------------ + + Elements Molality Moles + + Cl 4.041e-01 4.041e-01 + Na 4.041e-01 4.041e-01 + +----------------------------Description of solution---------------------------- + + pH = 6.973 Charge balance + pe = 4.000 + Specific Conductance (µS/cm, 25°C) = 38265 + Density (g/cm³) = 1.01327 + Volume (L) = 1.01020 + Viscosity (mPa s) = 0.92222 + Activity of water = 0.986 + Ionic strength (mol/kgw) = 4.041e-01 + Mass of water (kg) = 1.000e+00 + Total alkalinity (eq/kg) = -9.565e-18 + Temperature (°C) = 25.00 + Electrical balance (eq) = 1.348e-13 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Iterations = 4 (32 overall) + Total H = 1.110124e+02 + Total O = 5.550622e+01 + +----------------------------Distribution of species---------------------------- + + Log Log Log mole V + Species Molality Activity Molality Activity Gamma cm³/mol + + OH- 1.445e-07 9.385e-08 -6.840 -7.028 -0.187 -3.10 + H+ 1.378e-07 1.064e-07 -6.861 -6.973 -0.113 0.00 + H2O 5.551e+01 9.863e-01 1.744 -0.006 0.000 18.07 +Cl 4.041e-01 + Cl- 4.041e-01 2.685e-01 -0.394 -0.571 -0.178 18.63 + HCl 6.621e-09 9.837e-09 -8.179 -8.007 0.172 (0) +H(0) 1.459e-25 + H2 7.297e-26 8.009e-26 -25.137 -25.096 0.040 28.61 +Na 4.041e-01 + Na+ 4.041e-01 2.914e-01 -0.394 -0.535 -0.142 -0.71 + NaOH 2.492e-18 2.735e-18 -17.603 -17.563 0.040 (0) +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -42.240 -42.199 0.040 30.40 + +------------------------------Saturation indices------------------------------- + + Phase SI** log IAP log K(298 K, 1 atm) + + H2(g) -22.00 -25.10 -3.10 H2 + H2O(g) -1.51 -0.01 1.50 H2O + Halite -2.68 -1.11 1.57 NaCl + O2(g) -39.31 -42.20 -2.89 O2 + +**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. + For ideal gases, phi = 1. + +Initial solution 9. + +-----------------------------Solution composition------------------------------ + + Elements Molality Moles + + Cl 5.060e-01 5.060e-01 + Na 5.060e-01 5.060e-01 + +----------------------------Description of solution---------------------------- + + pH = 6.971 Charge balance + pe = 4.000 + Specific Conductance (µS/cm, 25°C) = 46778 + Density (g/cm³) = 1.01726 + Volume (L) = 1.01211 + Viscosity (mPa s) = 0.93045 + Activity of water = 0.983 + Ionic strength (mol/kgw) = 5.060e-01 + Mass of water (kg) = 1.000e+00 + Total alkalinity (eq/kg) = -6.379e-17 + Temperature (°C) = 25.00 + Electrical balance (eq) = 1.175e-13 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Iterations = 4 (36 overall) + Total H = 1.110124e+02 + Total O = 5.550622e+01 + +----------------------------Distribution of species---------------------------- + + Log Log Log mole V + Species Molality Activity Molality Activity Gamma cm³/mol + + OH- 1.473e-07 9.304e-08 -6.832 -7.031 -0.200 -2.92 + H+ 1.399e-07 1.069e-07 -6.854 -6.971 -0.117 0.00 + H2O 5.551e+01 9.828e-01 1.744 -0.008 0.000 18.07 +Cl 5.060e-01 + Cl- 5.060e-01 3.285e-01 -0.296 -0.484 -0.188 18.69 + HCl 7.368e-09 1.210e-08 -8.133 -7.917 0.215 (0) +H(0) 1.441e-25 + H2 7.203e-26 8.093e-26 -25.143 -25.092 0.051 28.61 +Na 5.060e-01 + Na+ 5.060e-01 3.630e-01 -0.296 -0.440 -0.144 -0.63 + NaOH 3.006e-18 3.378e-18 -17.522 -17.471 0.051 (0) +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -42.262 -42.211 0.051 30.40 + +------------------------------Saturation indices------------------------------- + + Phase SI** log IAP log K(298 K, 1 atm) + + H2(g) -21.99 -25.09 -3.10 H2 + H2O(g) -1.51 -0.01 1.50 H2O + Halite -2.49 -0.92 1.57 NaCl + O2(g) -39.32 -42.21 -2.89 O2 + +**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. + For ideal gases, phi = 1. + +Initial solution 10. + +-----------------------------Solution composition------------------------------ + + Elements Molality Moles + + Cl 6.084e-01 6.084e-01 + Na 6.084e-01 6.084e-01 + +----------------------------Description of solution---------------------------- + + pH = 6.969 Charge balance + pe = 4.000 + Specific Conductance (µS/cm, 25°C) = 55038 + Density (g/cm³) = 1.02122 + Volume (L) = 1.01404 + Viscosity (mPa s) = 0.93890 + Activity of water = 0.979 + Ionic strength (mol/kgw) = 6.084e-01 + Mass of water (kg) = 1.000e+00 + Total alkalinity (eq/kg) = -3.657e-17 + Temperature (°C) = 25.00 + Electrical balance (eq) = 7.591e-14 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Iterations = 4 (40 overall) + Total H = 1.110124e+02 + Total O = 5.550622e+01 + +----------------------------Distribution of species---------------------------- + + Log Log Log mole V + Species Molality Activity Molality Activity Gamma cm³/mol + + OH- 1.496e-07 9.229e-08 -6.825 -7.035 -0.210 -2.74 + H+ 1.417e-07 1.074e-07 -6.849 -6.969 -0.120 0.00 + H2O 5.551e+01 9.793e-01 1.744 -0.009 0.000 18.07 +Cl 6.084e-01 + Cl- 6.084e-01 3.877e-01 -0.216 -0.412 -0.196 18.75 + HCl 7.901e-09 1.434e-08 -8.102 -7.843 0.259 (0) +H(0) 1.420e-25 + H2 7.098e-26 8.166e-26 -25.149 -25.088 0.061 28.61 +Na 6.084e-01 + Na+ 6.084e-01 4.361e-01 -0.216 -0.360 -0.145 -0.55 + NaOH 3.499e-18 4.025e-18 -17.456 -17.395 0.061 (0) +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -42.283 -42.222 0.061 30.40 + +------------------------------Saturation indices------------------------------- + + Phase SI** log IAP log K(298 K, 1 atm) + + H2(g) -21.99 -25.09 -3.10 H2 + H2O(g) -1.51 -0.01 1.50 H2O + Halite -2.34 -0.77 1.57 NaCl + O2(g) -39.33 -42.22 -2.89 O2 + +**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. + For ideal gases, phi = 1. + +Initial solution 11. + +-----------------------------Solution composition------------------------------ + + Elements Molality Moles + + Cl 7.112e-01 7.112e-01 + Na 7.112e-01 7.112e-01 + +----------------------------Description of solution---------------------------- + + pH = 6.967 Charge balance + pe = 4.000 + Specific Conductance (µS/cm, 25°C) = 63059 + Density (g/cm³) = 1.02516 + Volume (L) = 1.01600 + Viscosity (mPa s) = 0.94759 + Activity of water = 0.976 + Ionic strength (mol/kgw) = 7.112e-01 + Mass of water (kg) = 1.000e+00 + Total alkalinity (eq/kg) = 1.872e-18 + Temperature (°C) = 25.00 + Electrical balance (eq) = 3.835e-14 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Iterations = 4 (44 overall) + Total H = 1.110124e+02 + Total O = 5.550622e+01 + +----------------------------Distribution of species---------------------------- + + Log Log Log mole V + Species Molality Activity Molality Activity Gamma cm³/mol + + OH- 1.514e-07 9.159e-08 -6.820 -7.038 -0.218 -2.57 + H+ 1.432e-07 1.078e-07 -6.844 -6.967 -0.123 0.00 + H2O 5.551e+01 9.758e-01 1.744 -0.011 0.000 18.07 +Cl 7.112e-01 + Cl- 7.112e-01 4.463e-01 -0.148 -0.350 -0.202 18.81 + HCl 8.258e-09 1.658e-08 -8.083 -7.780 0.303 (0) +H(0) 1.398e-25 + H2 6.989e-26 8.232e-26 -25.156 -25.084 0.071 28.61 +Na 7.112e-01 + Na+ 7.112e-01 5.110e-01 -0.148 -0.292 -0.144 -0.48 + NaOH 3.973e-18 4.680e-18 -17.401 -17.330 0.071 (0) +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -42.303 -42.232 0.071 30.40 + +------------------------------Saturation indices------------------------------- + + Phase SI** log IAP log K(298 K, 1 atm) + + H2(g) -21.98 -25.08 -3.10 H2 + H2O(g) -1.51 -0.01 1.50 H2O + Halite -2.21 -0.64 1.57 NaCl + O2(g) -39.34 -42.23 -2.89 O2 + +**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. + For ideal gases, phi = 1. + +Initial solution 12. + +-----------------------------Solution composition------------------------------ + + Elements Molality Moles + + Cl 8.144e-01 8.144e-01 + Na 8.144e-01 8.144e-01 + +----------------------------Description of solution---------------------------- + + pH = 6.966 Charge balance + pe = 4.000 + Specific Conductance (µS/cm, 25°C) = 70867 + Density (g/cm³) = 1.02908 + Volume (L) = 1.01799 + Viscosity (mPa s) = 0.95654 + Activity of water = 0.972 + Ionic strength (mol/kgw) = 8.144e-01 + Mass of water (kg) = 1.000e+00 + Total alkalinity (eq/kg) = 1.076e-18 + Temperature (°C) = 25.00 + Electrical balance (eq) = 1.528e-14 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Iterations = 4 (48 overall) + Total H = 1.110124e+02 + Total O = 5.550622e+01 + +----------------------------Distribution of species---------------------------- + + Log Log Log mole V + Species Molality Activity Molality Activity Gamma cm³/mol + + OH- 1.530e-07 9.093e-08 -6.815 -7.041 -0.226 -2.40 + H+ 1.445e-07 1.082e-07 -6.840 -6.966 -0.125 0.00 + H2O 5.551e+01 9.723e-01 1.744 -0.012 0.000 18.07 +Cl 8.144e-01 + Cl- 8.144e-01 5.046e-01 -0.089 -0.297 -0.208 18.86 + HCl 8.470e-09 1.882e-08 -8.072 -7.725 0.347 (0) +H(0) 1.375e-25 + H2 6.875e-26 8.293e-26 -25.163 -25.081 0.081 28.61 +Na 8.144e-01 + Na+ 8.144e-01 5.879e-01 -0.089 -0.231 -0.142 -0.41 + NaOH 4.431e-18 5.345e-18 -17.353 -17.272 0.081 (0) +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -42.323 -42.242 0.081 30.40 + +------------------------------Saturation indices------------------------------- + + Phase SI** log IAP log K(298 K, 1 atm) + + H2(g) -21.98 -25.08 -3.10 H2 + H2O(g) -1.52 -0.01 1.50 H2O + Halite -2.10 -0.53 1.57 NaCl + O2(g) -39.35 -42.24 -2.89 O2 + +**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. + For ideal gases, phi = 1. + +Initial solution 13. + +-----------------------------Solution composition------------------------------ + + Elements Molality Moles + + Cl 9.180e-01 9.180e-01 + Na 9.180e-01 9.180e-01 + +----------------------------Description of solution---------------------------- + + pH = 6.964 Charge balance + pe = 4.000 + Specific Conductance (µS/cm, 25°C) = 78466 + Density (g/cm³) = 1.03299 + Volume (L) = 1.02000 + Viscosity (mPa s) = 0.96575 + Activity of water = 0.969 + Ionic strength (mol/kgw) = 9.180e-01 + Mass of water (kg) = 1.000e+00 + Total alkalinity (eq/kg) = 4.608e-17 + Temperature (°C) = 25.00 + Electrical balance (eq) = 4.804e-15 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Iterations = 4 (52 overall) + Total H = 1.110124e+02 + Total O = 5.550622e+01 + +----------------------------Distribution of species---------------------------- + + Log Log Log mole V + Species Molality Activity Molality Activity Gamma cm³/mol + + OH- 1.542e-07 9.029e-08 -6.812 -7.044 -0.233 -2.23 + H+ 1.457e-07 1.086e-07 -6.837 -6.964 -0.128 0.00 + H2O 5.551e+01 9.688e-01 1.744 -0.014 0.000 18.07 +Cl 9.180e-01 + Cl- 9.180e-01 5.628e-01 -0.037 -0.250 -0.212 18.91 + HCl 8.564e-09 2.106e-08 -8.067 -7.677 0.391 (0) +H(0) 1.352e-25 + H2 6.759e-26 8.350e-26 -25.170 -25.078 0.092 28.61 +Na 9.180e-01 + Na+ 9.180e-01 6.671e-01 -0.037 -0.176 -0.139 -0.35 + NaOH 4.875e-18 6.023e-18 -17.312 -17.220 0.092 (0) +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -42.343 -42.251 0.092 30.40 + +------------------------------Saturation indices------------------------------- + + Phase SI** log IAP log K(298 K, 1 atm) + + H2(g) -21.98 -25.08 -3.10 H2 + H2O(g) -1.52 -0.01 1.50 H2O + Halite -2.00 -0.43 1.57 NaCl + O2(g) -39.36 -42.25 -2.89 O2 + +**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. + For ideal gases, phi = 1. + +Initial solution 14. + +-----------------------------Solution composition------------------------------ + + Elements Molality Moles + + Cl 1.022e+00 1.022e+00 + Na 1.022e+00 1.022e+00 + +----------------------------Description of solution---------------------------- + + pH = 6.963 Charge balance + pe = 4.000 + Specific Conductance (µS/cm, 25°C) = 85864 + Density (g/cm³) = 1.03688 + Volume (L) = 1.02204 + Viscosity (mPa s) = 0.97524 + Activity of water = 0.965 + Ionic strength (mol/kgw) = 1.022e+00 + Mass of water (kg) = 1.000e+00 + Total alkalinity (eq/kg) = 1.163e-16 + Temperature (°C) = 25.00 + Electrical balance (eq) = 9.496e-16 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Iterations = 4 (56 overall) + Total H = 1.110124e+02 + Total O = 5.550622e+01 + +----------------------------Distribution of species---------------------------- + + Log Log Log mole V + Species Molality Activity Molality Activity Gamma cm³/mol + + OH- 1.553e-07 8.967e-08 -6.809 -7.047 -0.238 -2.07 + H+ 1.467e-07 1.089e-07 -6.834 -6.963 -0.129 0.00 + H2O 5.551e+01 9.653e-01 1.744 -0.015 0.000 18.07 +Cl 1.022e+00 + Cl- 1.022e+00 6.209e-01 0.009 -0.207 -0.216 18.95 + HCl 8.560e-09 2.330e-08 -8.068 -7.633 0.435 (0) +H(0) 1.328e-25 + H2 6.641e-26 8.403e-26 -25.178 -25.076 0.102 28.61 +Na 1.022e+00 + Na+ 1.022e+00 7.487e-01 0.009 -0.126 -0.135 -0.30 + NaOH 5.306e-18 6.714e-18 -17.275 -17.173 0.102 (0) +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -42.362 -42.260 0.102 30.40 + +------------------------------Saturation indices------------------------------- + + Phase SI** log IAP log K(298 K, 1 atm) + + H2(g) -21.97 -25.08 -3.10 H2 + H2O(g) -1.52 -0.02 1.50 H2O + Halite -1.90 -0.33 1.57 NaCl + O2(g) -39.37 -42.26 -2.89 O2 + +**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. + For ideal gases, phi = 1. + +Initial solution 15. + +-----------------------------Solution composition------------------------------ + + Elements Molality Moles + + Cl 1.231e+00 1.231e+00 + Na 1.231e+00 1.231e+00 + +----------------------------Description of solution---------------------------- + + pH = 6.960 Charge balance + pe = 4.000 + Specific Conductance (µS/cm, 25°C) = 100088 + Density (g/cm³) = 1.04462 + Volume (L) = 1.02618 + Viscosity (mPa s) = 0.99506 + Activity of water = 0.958 + Ionic strength (mol/kgw) = 1.231e+00 + Mass of water (kg) = 1.000e+00 + Total alkalinity (eq/kg) = -6.383e-14 + Temperature (°C) = 25.00 + Electrical balance (eq) = 5.292e-09 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Iterations = 3 (59 overall) + Total H = 1.110124e+02 + Total O = 5.550622e+01 + +----------------------------Distribution of species---------------------------- + + Log Log Log mole V + Species Molality Activity Molality Activity Gamma cm³/mol + + OH- 1.569e-07 8.850e-08 -6.804 -7.053 -0.249 -1.75 + H+ 1.486e-07 1.096e-07 -6.828 -6.960 -0.132 0.00 + H2O 5.551e+01 9.581e-01 1.744 -0.019 0.000 18.07 +Cl 1.231e+00 + Cl- 1.231e+00 7.374e-01 0.090 -0.132 -0.223 19.04 + HCl 8.328e-09 2.784e-08 -8.079 -7.555 0.524 (0) +H(0) 1.280e-25 + H2 6.402e-26 8.501e-26 -25.194 -25.071 0.123 28.61 +Na 1.231e+00 + Na+ 1.231e+00 9.201e-01 0.090 -0.036 -0.127 -0.19 + NaOH 6.132e-18 8.143e-18 -17.212 -17.089 0.123 (0) +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -42.399 -42.276 0.123 30.40 + +------------------------------Saturation indices------------------------------- + + Phase SI** log IAP log K(298 K, 1 atm) + + H2(g) -21.97 -25.07 -3.10 H2 + H2O(g) -1.52 -0.02 1.50 H2O + Halite -1.74 -0.17 1.57 NaCl + O2(g) -39.38 -42.28 -2.89 O2 + +**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. + For ideal gases, phi = 1. + +Initial solution 16. + +-----------------------------Solution composition------------------------------ + + Elements Molality Moles + + Cl 1.443e+00 1.443e+00 + Na 1.443e+00 1.443e+00 + +----------------------------Description of solution---------------------------- + + pH = 6.958 Charge balance + pe = 4.000 + Specific Conductance (µS/cm, 25°C) = 113570 + Density (g/cm³) = 1.05231 + Volume (L) = 1.03041 + Viscosity (mPa s) = 1.01606 + Activity of water = 0.951 + Ionic strength (mol/kgw) = 1.443e+00 + Mass of water (kg) = 1.000e+00 + Total alkalinity (eq/kg) = -1.224e-13 + Temperature (°C) = 25.00 + Electrical balance (eq) = -3.461e-10 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Iterations = 3 (62 overall) + Total H = 1.110124e+02 + Total O = 5.550622e+01 + +----------------------------Distribution of species---------------------------- + + Log Log Log mole V + Species Molality Activity Molality Activity Gamma cm³/mol + + OH- 1.580e-07 8.739e-08 -6.801 -7.059 -0.257 -1.43 + H+ 1.502e-07 1.101e-07 -6.823 -6.958 -0.135 0.00 + H2O 5.551e+01 9.510e-01 1.744 -0.022 0.000 18.07 +Cl 1.443e+00 + Cl- 1.443e+00 8.547e-01 0.159 -0.068 -0.227 19.12 + HCl 7.887e-09 3.243e-08 -8.103 -7.489 0.614 (0) +H(0) 1.232e-25 + H2 6.160e-26 8.587e-26 -25.210 -25.066 0.144 28.61 +Na 1.443e+00 + Na+ 1.443e+00 1.103e+00 0.159 0.043 -0.116 -0.09 + NaOH 6.917e-18 9.642e-18 -17.160 -17.016 0.144 (0) +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -42.436 -42.291 0.144 30.40 + +------------------------------Saturation indices------------------------------- + + Phase SI** log IAP log K(298 K, 1 atm) + + H2(g) -21.97 -25.07 -3.10 H2 + H2O(g) -1.52 -0.02 1.50 H2O + Halite -1.60 -0.03 1.57 NaCl + O2(g) -39.40 -42.29 -2.89 O2 + +**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. + For ideal gases, phi = 1. + +Initial solution 17. + +-----------------------------Solution composition------------------------------ + + Elements Molality Moles + + Cl 1.656e+00 1.656e+00 + Na 1.656e+00 1.656e+00 + +----------------------------Description of solution---------------------------- + + pH = 6.956 Charge balance + pe = 4.000 + Specific Conductance (µS/cm, 25°C) = 126328 + Density (g/cm³) = 1.05994 + Volume (L) = 1.03474 + Viscosity (mPa s) = 1.03829 + Activity of water = 0.944 + Ionic strength (mol/kgw) = 1.656e+00 + Mass of water (kg) = 1.000e+00 + Total alkalinity (eq/kg) = -2.152e-13 + Temperature (°C) = 25.00 + Electrical balance (eq) = -9.937e-11 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Iterations = 3 (65 overall) + Total H = 1.110124e+02 + Total O = 5.550622e+01 + +----------------------------Distribution of species---------------------------- + + Log Log Log mole V + Species Molality Activity Molality Activity Gamma cm³/mol + + OH- 1.588e-07 8.635e-08 -6.799 -7.064 -0.265 -1.12 + H+ 1.515e-07 1.106e-07 -6.820 -6.956 -0.137 0.00 + H2O 5.551e+01 9.437e-01 1.744 -0.025 0.000 18.07 +Cl 1.656e+00 + Cl- 1.656e+00 9.731e-01 0.219 -0.012 -0.231 19.19 + HCl 7.320e-09 3.708e-08 -8.135 -7.431 0.705 (0) +H(0) 1.183e-25 + H2 5.917e-26 8.663e-26 -25.228 -25.062 0.166 28.61 +Na 1.656e+00 + Na+ 1.656e+00 1.300e+00 0.219 0.114 -0.105 0.00 + NaOH 7.665e-18 1.122e-17 -17.115 -16.950 0.166 (0) +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -42.471 -42.306 0.166 30.40 + +------------------------------Saturation indices------------------------------- + + Phase SI** log IAP log K(298 K, 1 atm) + + H2(g) -21.96 -25.06 -3.10 H2 + H2O(g) -1.53 -0.03 1.50 H2O + Halite -1.47 0.10 1.57 NaCl + O2(g) -39.41 -42.31 -2.89 O2 + +**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. + For ideal gases, phi = 1. + +Initial solution 18. + +-----------------------------Solution composition------------------------------ + + Elements Molality Moles + + Cl 1.871e+00 1.871e+00 + Na 1.871e+00 1.871e+00 + +----------------------------Description of solution---------------------------- + + pH = 6.955 Charge balance + pe = 4.000 + Specific Conductance (µS/cm, 25°C) = 138382 + Density (g/cm³) = 1.06753 + Volume (L) = 1.03915 + Viscosity (mPa s) = 1.06179 + Activity of water = 0.936 + Ionic strength (mol/kgw) = 1.871e+00 + Mass of water (kg) = 1.000e+00 + Total alkalinity (eq/kg) = -3.554e-13 + Temperature (°C) = 25.00 + Electrical balance (eq) = 2.629e-09 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Iterations = 3 (68 overall) + Total H = 1.110124e+02 + Total O = 5.550622e+01 + +----------------------------Distribution of species---------------------------- + + Log Log Log mole V + Species Molality Activity Molality Activity Gamma cm³/mol + + OH- 1.594e-07 8.536e-08 -6.798 -7.069 -0.271 -0.81 + H+ 1.527e-07 1.110e-07 -6.816 -6.955 -0.138 0.00 + H2O 5.551e+01 9.364e-01 1.744 -0.029 0.000 18.07 +Cl 1.871e+00 + Cl- 1.870e+00 1.093e+00 0.272 0.039 -0.233 19.25 + HCl 6.686e-09 4.181e-08 -8.175 -7.379 0.796 (0) +H(0) 1.135e-25 + H2 5.674e-26 8.729e-26 -25.246 -25.059 0.187 28.61 +Na 1.871e+00 + Na+ 1.871e+00 1.510e+00 0.272 0.179 -0.093 0.09 + NaOH 8.381e-18 1.289e-17 -17.077 -16.890 0.187 (0) +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -42.506 -42.319 0.187 30.40 + +------------------------------Saturation indices------------------------------- + + Phase SI** log IAP log K(298 K, 1 atm) + + H2(g) -21.96 -25.06 -3.10 H2 + H2O(g) -1.53 -0.03 1.50 H2O + Halite -1.35 0.22 1.57 NaCl + O2(g) -39.43 -42.32 -2.89 O2 + +**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. + For ideal gases, phi = 1. + +Initial solution 19. + +-----------------------------Solution composition------------------------------ + + Elements Molality Moles + + Cl 2.087e+00 2.087e+00 + Na 2.087e+00 2.087e+00 + +----------------------------Description of solution---------------------------- + + pH = 6.953 Charge balance + pe = 4.000 + Specific Conductance (µS/cm, 25°C) = 149737 + Density (g/cm³) = 1.07506 + Volume (L) = 1.04365 + Viscosity (mPa s) = 1.08661 + Activity of water = 0.929 + Ionic strength (mol/kgw) = 2.087e+00 + Mass of water (kg) = 1.000e+00 + Total alkalinity (eq/kg) = -5.578e-13 + Temperature (°C) = 25.00 + Electrical balance (eq) = 1.326e-08 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Iterations = 3 (71 overall) + Total H = 1.110124e+02 + Total O = 5.550622e+01 + +----------------------------Distribution of species---------------------------- + + Log Log Log mole V + Species Molality Activity Molality Activity Gamma cm³/mol + + OH- 1.597e-07 8.442e-08 -6.797 -7.074 -0.277 -0.50 + H+ 1.537e-07 1.114e-07 -6.813 -6.953 -0.140 0.00 + H2O 5.551e+01 9.290e-01 1.744 -0.032 0.000 18.07 +Cl 2.087e+00 + Cl- 2.087e+00 1.215e+00 0.320 0.084 -0.235 19.32 + HCl 6.027e-09 4.661e-08 -8.220 -7.332 0.888 (0) +H(0) 1.086e-25 + H2 5.432e-26 8.784e-26 -25.265 -25.056 0.209 28.61 +Na 2.087e+00 + Na+ 2.087e+00 1.737e+00 0.320 0.240 -0.080 0.17 + NaOH 9.067e-18 1.466e-17 -17.043 -16.834 0.209 (0) +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -42.540 -42.331 0.209 30.40 + +------------------------------Saturation indices------------------------------- + + Phase SI** log IAP log K(298 K, 1 atm) + + H2(g) -21.96 -25.06 -3.10 H2 + H2O(g) -1.53 -0.03 1.50 H2O + Halite -1.25 0.32 1.57 NaCl + O2(g) -39.44 -42.33 -2.89 O2 + +**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. + For ideal gases, phi = 1. + +Initial solution 20. + +-----------------------------Solution composition------------------------------ + + Elements Molality Moles + + Cl 2.638e+00 2.638e+00 + Na 2.638e+00 2.638e+00 + +----------------------------Description of solution---------------------------- + + pH = 6.951 Charge balance + pe = 4.000 + Specific Conductance (µS/cm, 25°C) = 175203 + Density (g/cm³) = 1.09373 + Volume (L) = 1.05528 + Viscosity (mPa s) = 1.15485 + Activity of water = 0.910 + Ionic strength (mol/kgw) = 2.638e+00 + Mass of water (kg) = 1.000e+00 + Total alkalinity (eq/kg) = -5.497e-17 + Temperature (°C) = 25.00 + Electrical balance (eq) = 7.314e-17 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Iterations = 4 (75 overall) + Total H = 1.110124e+02 + Total O = 5.550622e+01 + +----------------------------Distribution of species---------------------------- + + Log Log Log mole V + Species Molality Activity Molality Activity Gamma cm³/mol + + OH- 1.600e-07 8.227e-08 -6.796 -7.085 -0.289 0.27 + H+ 1.556e-07 1.120e-07 -6.808 -6.951 -0.143 0.00 + H2O 5.551e+01 9.103e-01 1.744 -0.041 0.000 18.07 +Cl 2.638e+00 + Cl- 2.638e+00 1.528e+00 0.421 0.184 -0.237 19.46 + HCl 4.442e-09 5.894e-08 -8.352 -7.230 1.123 (0) +H(0) 9.672e-26 + H2 4.836e-26 8.878e-26 -25.316 -25.052 0.264 28.61 +Na 2.638e+00 + Na+ 2.638e+00 2.382e+00 0.421 0.377 -0.044 0.37 + NaOH 1.067e-17 1.960e-17 -16.972 -16.708 0.264 (0) +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -42.622 -42.358 0.264 30.40 + +------------------------------Saturation indices------------------------------- + + Phase SI** log IAP log K(298 K, 1 atm) + + H2(g) -21.95 -25.05 -3.10 H2 + H2O(g) -1.54 -0.04 1.50 H2O + Halite -1.01 0.56 1.57 NaCl + O2(g) -39.47 -42.36 -2.89 O2 + +**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. + For ideal gases, phi = 1. + +Initial solution 21. + +-----------------------------Solution composition------------------------------ + + Elements Molality Moles + + Cl 3.203e+00 3.203e+00 + Na 3.203e+00 3.203e+00 + +----------------------------Description of solution---------------------------- + + pH = 6.950 Charge balance + pe = 4.000 + Specific Conductance (µS/cm, 25°C) = 196609 + Density (g/cm³) = 1.11215 + Volume (L) = 1.06745 + Viscosity (mPa s) = 1.23243 + Activity of water = 0.891 + Ionic strength (mol/kgw) = 3.203e+00 + Mass of water (kg) = 1.000e+00 + Total alkalinity (eq/kg) = -3.267e-12 + Temperature (°C) = 25.00 + Electrical balance (eq) = 6.019e-11 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Iterations = 3 (78 overall) + Total H = 1.110124e+02 + Total O = 5.550622e+01 + +----------------------------Distribution of species---------------------------- + + Log Log Log mole V + Species Molality Activity Molality Activity Gamma cm³/mol + + OH- 1.598e-07 8.038e-08 -6.796 -7.095 -0.299 1.04 + H+ 1.567e-07 1.122e-07 -6.805 -6.950 -0.145 0.00 + H2O 5.551e+01 8.911e-01 1.744 -0.050 0.000 18.07 +Cl 3.203e+00 + Cl- 3.202e+00 1.856e+00 0.505 0.269 -0.237 19.59 + HCl 3.111e-09 7.176e-08 -8.507 -7.144 1.363 (0) +H(0) 8.528e-26 + H2 4.264e-26 8.914e-26 -25.370 -25.050 0.320 28.61 +Na 3.203e+00 + Na+ 3.203e+00 3.159e+00 0.505 0.500 -0.006 0.54 + NaOH 1.215e-17 2.539e-17 -16.916 -16.595 0.320 (0) +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -42.701 -42.380 0.320 30.40 + +------------------------------Saturation indices------------------------------- + + Phase SI** log IAP log K(298 K, 1 atm) + + H2(g) -21.95 -25.05 -3.10 H2 + H2O(g) -1.55 -0.05 1.50 H2O + Halite -0.80 0.77 1.57 NaCl + O2(g) -39.49 -42.38 -2.89 O2 + +**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. + For ideal gases, phi = 1. + +Initial solution 22. + +-----------------------------Solution composition------------------------------ + + Elements Molality Moles + + Cl 3.781e+00 3.781e+00 + Na 3.781e+00 3.781e+00 + +----------------------------Description of solution---------------------------- + + pH = 6.950 Charge balance + pe = 4.000 + Specific Conductance (µS/cm, 25°C) = 214179 + Density (g/cm³) = 1.13033 + Volume (L) = 1.08018 + Viscosity (mPa s) = 1.32017 + Activity of water = 0.871 + Ionic strength (mol/kgw) = 3.781e+00 + Mass of water (kg) = 1.000e+00 + Total alkalinity (eq/kg) = 6.847e-17 + Temperature (°C) = 25.00 + Electrical balance (eq) = 7.996e-15 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Iterations = 4 (82 overall) + Total H = 1.110124e+02 + Total O = 5.550622e+01 + +----------------------------Distribution of species---------------------------- + + Log Log Log mole V + Species Molality Activity Molality Activity Gamma cm³/mol + + OH- 1.593e-07 7.868e-08 -6.798 -7.104 -0.307 1.82 + H+ 1.573e-07 1.121e-07 -6.803 -6.950 -0.147 0.00 + H2O 5.551e+01 8.715e-01 1.744 -0.060 0.000 18.07 +Cl 3.781e+00 + Cl- 3.781e+00 2.203e+00 0.578 0.343 -0.235 19.71 + HCl 2.093e-09 8.508e-08 -8.679 -7.070 1.609 (0) +H(0) 7.452e-26 + H2 3.726e-26 8.898e-26 -25.429 -25.051 0.378 28.61 +Na 3.781e+00 + Na+ 3.781e+00 4.098e+00 0.578 0.613 0.035 0.71 + NaOH 1.350e-17 3.224e-17 -16.870 -16.492 0.378 (0) +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -42.776 -42.398 0.378 30.40 + +------------------------------Saturation indices------------------------------- + + Phase SI** log IAP log K(298 K, 1 atm) + + H2(g) -21.95 -25.05 -3.10 H2 + H2O(g) -1.56 -0.06 1.50 H2O + Halite -0.61 0.96 1.57 NaCl + O2(g) -39.51 -42.40 -2.89 O2 + +**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. + For ideal gases, phi = 1. + +Initial solution 23. + +-----------------------------Solution composition------------------------------ + + Elements Molality Moles + + Cl 4.374e+00 4.374e+00 + Na 4.374e+00 4.374e+00 + +----------------------------Description of solution---------------------------- + + pH = 6.952 Charge balance + pe = 4.000 + Specific Conductance (µS/cm, 25°C) = 228168 + Density (g/cm³) = 1.14828 + Volume (L) = 1.09348 + Viscosity (mPa s) = 1.41895 + Activity of water = 0.851 + Ionic strength (mol/kgw) = 4.374e+00 + Mass of water (kg) = 1.000e+00 + Total alkalinity (eq/kg) = -6.237e-16 + Temperature (°C) = 25.00 + Electrical balance (eq) = 3.988e-11 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Iterations = 4 (86 overall) + Total H = 1.110124e+02 + Total O = 5.550622e+01 + +----------------------------Distribution of species---------------------------- + + Log Log Log mole V + Species Molality Activity Molality Activity Gamma cm³/mol + + OH- 1.586e-07 7.711e-08 -6.800 -7.113 -0.313 2.60 + H+ 1.573e-07 1.117e-07 -6.803 -6.952 -0.148 0.00 + H2O 5.551e+01 8.513e-01 1.744 -0.070 0.000 18.07 +Cl 4.374e+00 + Cl- 4.374e+00 2.570e+00 0.641 0.410 -0.231 19.83 + HCl 1.361e-09 9.892e-08 -8.866 -7.005 1.861 (0) +H(0) 6.457e-26 + H2 3.229e-26 8.839e-26 -25.491 -25.054 0.437 28.61 +Na 4.374e+00 + Na+ 4.374e+00 5.236e+00 0.641 0.719 0.078 0.87 + NaOH 1.475e-17 4.038e-17 -16.831 -16.394 0.437 (0) +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -42.850 -42.413 0.437 30.40 + +------------------------------Saturation indices------------------------------- + + Phase SI** log IAP log K(298 K, 1 atm) + + H2(g) -21.95 -25.05 -3.10 H2 + H2O(g) -1.57 -0.07 1.50 H2O + Halite -0.44 1.13 1.57 NaCl + O2(g) -39.52 -42.41 -2.89 O2 + +**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. + For ideal gases, phi = 1. + +Initial solution 24. + +-----------------------------Solution composition------------------------------ + + Elements Molality Moles + + Cl 4.983e+00 4.983e+00 + Na 4.983e+00 4.983e+00 + +----------------------------Description of solution---------------------------- + + pH = 6.954 Charge balance + pe = 4.000 + Specific Conductance (µS/cm, 25°C) = 238859 + Density (g/cm³) = 1.16602 + Volume (L) = 1.10736 + Viscosity (mPa s) = 1.52972 + Activity of water = 0.831 + Ionic strength (mol/kgw) = 4.983e+00 + Mass of water (kg) = 1.000e+00 + Total alkalinity (eq/kg) = -9.442e-16 + Temperature (°C) = 25.00 + Electrical balance (eq) = 7.640e-09 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Iterations = 4 (90 overall) + Total H = 1.110124e+02 + Total O = 5.550622e+01 + +----------------------------Distribution of species---------------------------- + + Log Log Log mole V + Species Molality Activity Molality Activity Gamma cm³/mol + + OH- 1.578e-07 7.565e-08 -6.802 -7.121 -0.319 3.40 + H+ 1.569e-07 1.111e-07 -6.804 -6.954 -0.150 0.00 + H2O 5.551e+01 8.306e-01 1.744 -0.081 0.000 18.07 +Cl 4.983e+00 + Cl- 4.983e+00 2.960e+00 0.697 0.471 -0.226 19.93 + HCl 8.582e-10 1.133e-07 -9.066 -6.946 2.121 (0) +H(0) 5.552e-26 + H2 2.776e-26 8.743e-26 -25.557 -25.058 0.498 28.61 +Na 4.983e+00 + Na+ 4.983e+00 6.620e+00 0.697 0.821 0.123 1.02 + NaOH 1.590e-17 5.008e-17 -16.799 -16.300 0.498 (0) +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -42.923 -42.425 0.498 30.40 + +------------------------------Saturation indices------------------------------- + + Phase SI** log IAP log K(298 K, 1 atm) + + H2(g) -21.96 -25.06 -3.10 H2 + H2O(g) -1.58 -0.08 1.50 H2O + Halite -0.28 1.29 1.57 NaCl + O2(g) -39.53 -42.42 -2.89 O2 + +**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. + For ideal gases, phi = 1. + +Initial solution 25. + +-----------------------------Solution composition------------------------------ + + Elements Molality Moles + + Cl 5.609e+00 5.609e+00 + Na 5.609e+00 5.609e+00 + +----------------------------Description of solution---------------------------- + + pH = 6.957 Charge balance + pe = 4.000 + Specific Conductance (µS/cm, 25°C) = 246554 + Density (g/cm³) = 1.18357 + Volume (L) = 1.12188 + Viscosity (mPa s) = 1.65362 + Activity of water = 0.809 + Ionic strength (mol/kgw) = 5.609e+00 + Mass of water (kg) = 1.000e+00 + Total alkalinity (eq/kg) = -7.761e-16 + Temperature (°C) = 25.00 + Electrical balance (eq) = 1.221e-14 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Iterations = 5 (95 overall) + Total H = 1.110124e+02 + Total O = 5.550622e+01 + +----------------------------Distribution of species---------------------------- + + Log Log Log mole V + Species Molality Activity Molality Activity Gamma cm³/mol + + OH- 1.567e-07 7.424e-08 -6.805 -7.129 -0.324 4.21 + H+ 1.562e-07 1.103e-07 -6.806 -6.957 -0.151 0.00 + H2O 5.551e+01 8.093e-01 1.744 -0.092 0.000 18.07 +Cl 5.609e+00 + Cl- 5.609e+00 3.376e+00 0.749 0.528 -0.221 20.04 + HCl 5.260e-10 1.283e-07 -9.279 -6.892 2.387 (0) +H(0) 4.737e-26 + H2 2.368e-26 8.618e-26 -25.626 -25.065 0.561 28.61 +Na 5.609e+00 + Na+ 5.609e+00 8.308e+00 0.749 0.919 0.171 1.16 + NaOH 1.695e-17 6.168e-17 -16.771 -16.210 0.561 (0) +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -42.995 -42.435 0.561 30.40 + +------------------------------Saturation indices------------------------------- + + Phase SI** log IAP log K(298 K, 1 atm) + + H2(g) -21.96 -25.06 -3.10 H2 + H2O(g) -1.59 -0.09 1.50 H2O + Halite -0.12 1.45 1.57 NaCl + O2(g) -39.54 -42.43 -2.89 O2 + +**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. + For ideal gases, phi = 1. + +Initial solution 26. + +-----------------------------Solution composition------------------------------ + + Elements Molality Moles + + Cl 6.059e+00 6.059e+00 + Na 6.059e+00 6.059e+00 + +----------------------------Description of solution---------------------------- + + pH = 6.960 Charge balance + pe = 4.000 + Specific Conductance (µS/cm, 25°C) = 250317 + Density (g/cm³) = 1.19574 + Volume (L) = 1.13243 + Viscosity (mPa s) = 1.74881 + Activity of water = 0.794 + Ionic strength (mol/kgw) = 6.059e+00 + Mass of water (kg) = 1.000e+00 + Total alkalinity (eq/kg) = 2.047e-17 + Temperature (°C) = 25.00 + Electrical balance (eq) = 1.259e-12 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Iterations = 5 (100 overall) + Total H = 1.110124e+02 + Total O = 5.550622e+01 + +----------------------------Distribution of species---------------------------- + + Log Log Log mole V + Species Molality Activity Molality Activity Gamma cm³/mol + + OH- 1.559e-07 7.328e-08 -6.807 -7.135 -0.328 4.79 + H+ 1.555e-07 1.097e-07 -6.808 -6.960 -0.152 0.00 + H2O 5.551e+01 7.940e-01 1.744 -0.100 0.000 18.07 +Cl 6.059e+00 + Cl- 6.059e+00 3.684e+00 0.782 0.566 -0.216 20.10 + HCl 3.673e-10 1.392e-07 -9.435 -6.856 2.579 (0) +H(0) 4.220e-26 + H2 2.110e-26 8.514e-26 -25.676 -25.070 0.606 28.61 +Na 6.059e+00 + Na+ 6.059e+00 9.709e+00 0.782 0.987 0.205 1.27 + NaOH 1.763e-17 7.115e-17 -16.754 -16.148 0.606 (0) +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -43.047 -42.441 0.606 30.40 + +------------------------------Saturation indices------------------------------- + + Phase SI** log IAP log K(298 K, 1 atm) + + H2(g) -21.97 -25.07 -3.10 H2 + H2O(g) -1.60 -0.10 1.50 H2O + Halite -0.02 1.55 1.57 NaCl + O2(g) -39.55 -42.44 -2.89 O2 + +**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. + For ideal gases, phi = 1. + +------------------ +End of simulation. +------------------ + +------------------------------------ +Reading input data for simulation 9. ------------------------------------ diff --git a/mytest/SC_Ohm_101.sel b/mytest/SC_Ohm_101.sel index aa8e3116b..22f53728b 100644 --- a/mytest/SC_Ohm_101.sel +++ b/mytest/SC_Ohm_101.sel @@ -4,14 +4,56 @@ 0.000100101772 12.5233835052 0.000100101772 12.5233835058 0.000100101772 12.5233835058 - 0.200100131570 20192.1151568451 - 0.400100138090 37928.1976010711 - 0.600100142108 54376.1993202661 - 0.800100145102 69801.7984243117 - 1.000100147513 84325.8141125338 - 1.200100149551 98017.9623229483 - 1.400100151314 110925.2481496738 - 1.600100152859 123083.3614673756 - 1.800100154220 134522.0122702185 - 2.000100155422 145267.6711412405 - 2.200100156643 155345.0547441497 + 0.600100142108 54376.1993256834 + 1.200100149603 98017.9623273613 + 1.800100154272 134522.0122757331 + 2.400100157494 164777.9500921716 + 3.000100159641 189441.7322406284 + 3.600100160995 209133.8523601202 + 4.200100161743 224461.7679294013 + 4.800100162024 236009.4269240417 + 5.400100161942 244323.2519219977 + 6.000100161562 249901.9011781386 + 6.600100160938 253190.9622642450 + 0.000100101771 12.5233835056 + 0.000100101771 12.5233835056 + 0.000100101772 12.5233835052 + 0.000100101772 12.5233835058 + 0.000100101772 12.5233835058 + 0.300100135335 29250.0451940134 + 0.600100142108 54376.1993193861 + 0.900100146353 77171.4113392711 + 1.200100149555 98017.9623232016 + 1.500100152115 117095.9946854428 + 1.800100154224 134522.0122704265 + 2.100100155973 150388.3955170303 + 2.400100157419 164777.9500877544 + 2.700100158605 177769.8019093849 + 3.000100159565 189441.7322471731 + 3.300100160574 199870.9059813555 + 0.100470125484 10655.6565263405 + 0.125640127358 13126.5120049151 + 0.150840128932 15554.8780033244 + 0.176060130288 17945.7497999798 + 0.201310131480 20304.3961808745 + 0.251840133498 24931.8660893197 + 0.302490135171 29461.5434095456 + 0.404070137844 38265.9072626583 + 0.506030139947 46778.0439073248 + 0.608440141690 55038.7599537198 + 0.711170143181 63059.6004008349 + 0.814380144492 70867.6844891755 + 0.917990145662 78466.9011772380 + 1.022000146720 85864.6779643952 + 1.231400148575 100088.7518773125 + 1.442600150153 113570.4605137731 + 1.655600151511 126328.5371432345 + 1.870500152681 138382.2213263045 + 2.087200153685 149737.1020711032 + 2.638300155577 175203.9725601534 + 3.202500156722 196609.6310182117 + 3.780700157254 214179.4375559148 + 4.373800157288 228168.6223244359 + 4.982800156910 238859.4571150886 + 5.609200156189 246554.0359316680 + 6.058700155507 250317.2974124681 diff --git a/mytest/rate_xmpls b/mytest/rate_xmpls index 50fc0560b..df6bba9e0 100644 --- a/mytest/rate_xmpls +++ b/mytest/rate_xmpls @@ -229,7 +229,7 @@ Quartz_Rimstidt_Barnes #1 rem Specific rate k = 10^-13.7 mol/m2/s (25 C), Ea = 90 kJ/mol, Rimstidt and Barnes, 1980, GCA 44, 1683 5 REM PARMS: 1 affinity, 2 m^2/mol, 3 roughness, 4 exponent 10 if parm(1) = 1 then affinity = 1 else affinity = 1 - SR("Quartz") : if affinity < parm(1) then SAVE 0 : END -20 rate = 10^-(13.7 + 4700 * (1 / 298 - 1 / TK)) * (1 + 1500*tot("Na")) # salt correction, Dove and Rimstidt, MSA Rev. 29, 259 +20 rate = 10^-(13.7 + 4700 * (1 / 298 - 1 / TK)) * (1 + 1500*tot("Na")) # salt correction, Dove and Rimstidt, 1994, MSA Rev. 29, 259 30 IF M > 0 THEN area = M * parm(2) * parm(3) * (M/M0)^parm(4) ELSE area = 0 40 SAVE area * rate * affinity * TIME -end @@ -247,16 +247,6 @@ END SOLUTION 1 pH 7 charge; Na 30; Cl 30 KINETICS 1 -Quartz_Svd --formula SiO2 --parms 0 6 1 0.67 --time 0.1 10*1 year -USER_GRAPH 3 --headings H Sverdup_NaCl -END - -USE solution 1 -KINETICS 1 Quartz_Rimstidt_Barnes -formula SiO2 -parms 0 6 1 0.67 @@ -274,7 +264,7 @@ END # exchangeable cation (here Na+ or Ca+2). For the Gapon exchange formula, # the exchange species and their log_k`s are from the solid solution members in ThermoddemV1 # For the Gaines Thomas formula, the Mg+2 and Ca+2 species are redefined. -# It also shows how the default X exchanger can be invkoed. +# It also shows how the default X exchanger can be invoked. # # ============================================================== USER_GRAPH 3; -active false @@ -305,7 +295,7 @@ Montmorillonite EXCHANGE_MASTER_SPECIES X_montm_mg X_montm_mg-0.34 EXCHANGE_SPECIES -# The Gapon formulation is easiest... +# The Gapon formulation is easiest, with constants from Montmorillonite(Mg..) in PHASES X_montm_mg-0.34 = X_montm_mg-0.34 0.34 Na+ + X_montm_mg-0.34 = Na0.34X_montm_mg; log_k -3.411 # 0 # 0.34 K+ + X_montm_mg-0.34 = K0.34X_montm_mg; log_k -2.830 # 0.581 # @@ -314,13 +304,13 @@ EXCHANGE_SPECIES # # The divalent cations have rather low log_k, cf. A&P, p.254, log_k Ca0.5X ~ log_k KX # # uncomment the following lines to see the effect... -# 0.17 Mg+2 + X_montm_mg-0.34 = Mg0.17X_montm_mg; log_k -2.73 +# 0.17 Mg+2 + X_montm_mg-0.34 = Mg0.17X_montm_mg; log_k -2.86 # 0.17 Ca+2 + X_montm_mg-0.34 = Ca0.17X_montm_mg; log_k -2.83 # # also adapt the log_k`s of the solids... # PHASES # Montmorillonite(MgMg) # Mg0.17Mg0.34Al1.66Si4O10(OH)2 + 6H+ + 4H2O = 1.660Al+3 + 0.510Mg+2 + 4H4SiO4 - # log_k 2.73 + # log_k 2.86 # Montmorillonite(MgCa) # Ca0.17Mg0.34Al1.66Si4O10(OH)2 + 6H+ + 4H2O = 1.660Al+3 + 0.170Ca+2 + 0.340Mg+2 + 4H4SiO4 # log_k 2.83 diff --git a/mytest/rate_xmpls.out b/mytest/rate_xmpls.out index 3e04eb5b8..c13bdcc38 100644 --- a/mytest/rate_xmpls.out +++ b/mytest/rate_xmpls.out @@ -1,4 +1,3 @@ -WARNING: Database file from DATABASE keyword is used; command line argument ignored. Input file: rate_xmpls Output file: rate_xmpls.out Database file: ../database/phreeqc_rates.dat diff --git a/mytest/rate_xmpls_101.sel b/mytest/rate_xmpls_101.sel index 6b726d1ad..6349623b7 100644 --- a/mytest/rate_xmpls_101.sel +++ b/mytest/rate_xmpls_101.sel @@ -229,17 +229,6 @@ 0.000000119929 0.0583015762 0.000000121542 0.0586415453 0.030000116639 3396.0891259440 - 0.030000127222 3396.0885356208 - 0.030000198439 3396.0848634137 - 0.030000236597 3396.0828629780 - 0.030000259095 3396.0816307488 - 0.030000272924 3396.0808502624 - 0.030000281616 3396.0803502685 - 0.030000287149 3396.0800280725 - 0.030000290699 3396.0798197419 - 0.030000292988 3396.0796847568 - 0.030000294468 3396.0795971817 - 0.030000295427 3396.0795403183 0.030000146351 3396.0875205274 0.030000269442 3396.0810484772 0.030000291879 3396.0797502522 diff --git a/src/basicsubs.cpp b/src/basicsubs.cpp index 14744601a..a9305f735 100644 --- a/src/basicsubs.cpp +++ b/src/basicsubs.cpp @@ -493,7 +493,7 @@ calc_SC(void) if (av) t1 *= pow(viscos_0 / viscos, av); if (correct_Dw) - s_x[i]->dw_corr *= t1 / Dw; + s_x[i]->dw_corr *= t1 / Dw * pow(mass_water_aq_x / calc_solution_volume(), 2); // fractional contribution in mu, and correct for charge imbalance a2 = 2 / (eq_plus + eq_min);