From c26c52d3b76b46c6302bfe65af39ca39181bfb55 Mon Sep 17 00:00:00 2001 From: David Parkhurst Date: Mon, 20 May 2024 16:18:09 -0600 Subject: [PATCH] updated kinetic_rates. Now runs to completion. --- mytest/kinetic_rates.inc | 58 +- mytest/kinetic_rates.out | 4677 +++++++++++++++++++++++++++++++++- mytest/kinetic_rates_101.sel | 50 + 3 files changed, 4751 insertions(+), 34 deletions(-) diff --git a/mytest/kinetic_rates.inc b/mytest/kinetic_rates.inc index 7b0a70b63..2be03d3cb 100644 --- a/mytest/kinetic_rates.inc +++ b/mytest/kinetic_rates.inc @@ -2,175 +2,175 @@ USE solution 1 EQUILIBRIUM_PHASES 1 - LiCl + LiBr Fix_pH -0 LiOH 10 USE kinetics 1 END USE solution 1 EQUILIBRIUM_PHASES 1 - LiCl + LiBr Fix_pH -5.0000e-01 LiOH 10 USE kinetics 1 END USE solution 1 EQUILIBRIUM_PHASES 1 - LiCl + LiBr Fix_pH -1 LiOH 10 USE kinetics 1 END USE solution 1 EQUILIBRIUM_PHASES 1 - LiCl + LiBr Fix_pH -1.5000e+00 LiOH 10 USE kinetics 1 END USE solution 1 EQUILIBRIUM_PHASES 1 - LiCl + LiBr Fix_pH -2 LiOH 10 USE kinetics 1 END USE solution 1 EQUILIBRIUM_PHASES 1 - LiCl + LiBr Fix_pH -2.5000e+00 LiOH 10 USE kinetics 1 END USE solution 1 EQUILIBRIUM_PHASES 1 - LiCl + LiBr Fix_pH -3 LiOH 10 USE kinetics 1 END USE solution 1 EQUILIBRIUM_PHASES 1 - LiCl + LiBr Fix_pH -3.5000e+00 LiOH 10 USE kinetics 1 END USE solution 1 EQUILIBRIUM_PHASES 1 - LiCl + LiBr Fix_pH -4 LiOH 10 USE kinetics 1 END USE solution 1 EQUILIBRIUM_PHASES 1 - LiCl + LiBr Fix_pH -4.5000e+00 LiOH 10 USE kinetics 1 END USE solution 1 EQUILIBRIUM_PHASES 1 - LiCl + LiBr Fix_pH -5 LiOH 10 USE kinetics 1 END USE solution 1 EQUILIBRIUM_PHASES 1 - LiCl + LiBr Fix_pH -5.5000e+00 LiOH 10 USE kinetics 1 END USE solution 1 EQUILIBRIUM_PHASES 1 - LiCl + LiBr Fix_pH -6 LiOH 10 USE kinetics 1 END USE solution 1 EQUILIBRIUM_PHASES 1 - LiCl + LiBr Fix_pH -6.5000e+00 LiOH 10 USE kinetics 1 END USE solution 1 EQUILIBRIUM_PHASES 1 - LiCl + LiBr Fix_pH -7 LiOH 10 USE kinetics 1 END USE solution 1 EQUILIBRIUM_PHASES 1 - LiCl + LiBr Fix_pH -7.5000e+00 LiOH 10 USE kinetics 1 END USE solution 1 EQUILIBRIUM_PHASES 1 - LiCl + LiBr Fix_pH -8 LiOH 10 USE kinetics 1 END USE solution 1 EQUILIBRIUM_PHASES 1 - LiCl + LiBr Fix_pH -8.5000e+00 LiOH 10 USE kinetics 1 END USE solution 1 EQUILIBRIUM_PHASES 1 - LiCl + LiBr Fix_pH -9 LiOH 10 USE kinetics 1 END USE solution 1 EQUILIBRIUM_PHASES 1 - LiCl + LiBr Fix_pH -9.5000e+00 LiOH 10 USE kinetics 1 END USE solution 1 EQUILIBRIUM_PHASES 1 - LiCl + LiBr Fix_pH -10 LiOH 10 USE kinetics 1 END USE solution 1 EQUILIBRIUM_PHASES 1 - LiCl + LiBr Fix_pH -1.0500e+01 LiOH 10 USE kinetics 1 END USE solution 1 EQUILIBRIUM_PHASES 1 - LiCl + LiBr Fix_pH -11 LiOH 10 USE kinetics 1 END USE solution 1 EQUILIBRIUM_PHASES 1 - LiCl + LiBr Fix_pH -1.1500e+01 LiOH 10 USE kinetics 1 END USE solution 1 EQUILIBRIUM_PHASES 1 - LiCl + LiBr Fix_pH -12 LiOH 10 USE kinetics 1 END USE solution 1 EQUILIBRIUM_PHASES 1 - LiCl + LiBr Fix_pH -1.2500e+01 LiOH 10 USE kinetics 1 END USE solution 1 EQUILIBRIUM_PHASES 1 - LiCl + LiBr Fix_pH -13 LiOH 10 USE kinetics 1 END USE solution 1 EQUILIBRIUM_PHASES 1 - LiCl + LiBr Fix_pH -1.3500e+01 LiOH 10 USE kinetics 1 END USE solution 1 EQUILIBRIUM_PHASES 1 - LiCl + LiBr Fix_pH -14 LiOH 10 USE kinetics 1 END diff --git a/mytest/kinetic_rates.out b/mytest/kinetic_rates.out index a9861918a..6c1354016 100644 --- a/mytest/kinetic_rates.out +++ b/mytest/kinetic_rates.out @@ -1,4 +1,3 @@ -WARNING: Database file from DATABASE keyword is used; command line argument ignored. Input file: kinetic_rates Output file: kinetic_rates.out Database file: ../database/phreeqc.dat @@ -7270,10 +7269,4678 @@ Reading input data for simulation 63. Reading data from kinetic_rates.inc ... USE solution 1 EQUILIBRIUM_PHASES 1 - LiCl + LiBr Fix_pH -0 LiOH 10 USE kinetics 1 END -ERROR: Phase not found in database, LiCl. -ERROR: Calculations terminating due to input errors. -Stopping. +----------------------------------------- +Beginning of batch-reaction calculations. +----------------------------------------- + +Reaction step 1. + +Using solution 1. +Using pure phase assemblage 1. +Using kinetics 1. + +Kinetics 1. + + Time step: 1 seconds + + Rate name Delta Moles Total Moles Reactant Coefficient + + Albite_Hermanska -5.472e-11 1.000e+00 NaAlSi3O8 1 + +-------------------------------Phase assemblage-------------------------------- + + Moles in assemblage +Phase SI log IAP log K(T, P) Initial Final Delta + +Fix_pH 0.00 0.00 0.00 + LiOH is reactant 1.000e+01 1.133e+01 1.328e+00 +LiBr 0.00 -20.00 -20.00 1.000e+01 8.672e+00 -1.328e+00 + +-----------------------------Solution composition------------------------------ + + Elements Molality Moles + + Al 5.606e-11 5.472e-11 + Br 1.361e+00 1.328e+00 + Li 2.106e-20 2.055e-20 + Na 5.606e-11 5.472e-11 + Si 1.682e-10 1.642e-10 + +----------------------------Description of solution---------------------------- + + pH = -0.000 Charge balance + pe = 17.960 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 467946 + Density (g/cm³) = 1.06982 + Volume (L) = 1.01282 + Viscosity (mPa s) = 0.91983 + Activity of water = 0.954 + Ionic strength (mol/kgw) = 1.361e+00 + Mass of water (kg) = 9.761e-01 + Total alkalinity (eq/kg) = -1.361e+00 + Temperature (°C) = 25.00 + Electrical balance (eq) = -1.253e-09 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Iterations = 21 + Total H = 1.096844e+02 + Total O = 5.417816e+01 + +----------------------------Distribution of species---------------------------- + + Log Log Log mole V + Species Molality Activity Molality Activity Gamma cm³/mol + + H+ 1.361e+00 1.000e+00 0.134 0.000 -0.134 0.00 + OH- 1.733e-14 9.653e-15 -13.761 -14.015 -0.254 -1.55 + H2O 5.551e+01 9.537e-01 1.744 -0.021 0.000 18.07 +Al 5.606e-11 + Al+3 5.606e-11 3.508e-12 -10.251 -11.455 -1.204 -39.78 + AlOH+2 1.981e-16 3.323e-17 -15.703 -16.478 -0.775 -26.44 + Al(OH)2+ 3.882e-22 2.484e-22 -21.411 -21.605 -0.194 (0) + Al(OH)3 2.552e-29 3.491e-29 -28.593 -28.457 0.136 (0) + Al(OH)4- 1.038e-34 6.275e-35 -33.984 -34.202 -0.218 (0) +Br 1.361e+00 + Br- 1.361e+00 7.194e-01 0.134 -0.143 -0.277 25.49 +H(0) 1.245e-39 + H2 6.223e-40 8.513e-40 -39.206 -39.070 0.136 28.61 +Li 2.106e-20 + Li+ 2.106e-20 1.390e-20 -19.677 -19.857 -0.180 -0.45 +Na 5.606e-11 + Na+ 5.606e-11 4.248e-11 -10.251 -10.372 -0.121 -0.13 + NaOH 2.998e-35 4.100e-35 -34.523 -34.387 0.136 (0) +O(0) 7.650e-15 + O2 3.825e-15 5.232e-15 -14.417 -14.281 0.136 30.40 +Si 1.682e-10 + H4SiO4 1.682e-10 2.301e-10 -9.774 -9.638 0.136 52.08 + H3SiO4- 5.826e-20 3.392e-20 -19.235 -19.470 -0.235 29.04 + H2SiO4-2 1.376e-32 2.308e-33 -31.861 -32.637 -0.775 (0) + +------------------------------Saturation indices------------------------------- + + Phase SI** log IAP log K(298 K, 1 atm) + + Al(OH)3(a) -22.32 -11.52 10.80 Al(OH)3 + Albite -55.32 -73.32 -18.00 NaAlSi3O8 + Chalcedony -6.05 -9.60 -3.55 SiO2 + Fix_pH 0.00 0.00 0.00 H+ + Gibbsite -19.63 -11.52 8.11 Al(OH)3 + H2(g) -35.97 -39.07 -3.10 H2 + H2O(g) -1.52 -0.02 1.50 H2O + Kaolinite -49.64 -42.21 7.43 Al2Si2O5(OH)4 + LiBr 0.00 -20.00 -20.00 LiBr + O2(g) -11.39 -14.28 -2.89 O2 + Quartz -5.62 -9.60 -3.98 SiO2 + SiO2(a) -6.89 -9.60 -2.71 SiO2 + +**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. + For ideal gases, phi = 1. + +------------------ +End of simulation. +------------------ + +------------------------------------- +Reading input data for simulation 64. +------------------------------------- + + USE solution 1 + EQUILIBRIUM_PHASES 1 + LiBr + Fix_pH -5.0000e-01 LiOH 10 + USE kinetics 1 + END +----------------------------------------- +Beginning of batch-reaction calculations. +----------------------------------------- + +Reaction step 1. + +Using solution 1. +Using pure phase assemblage 1. +Using kinetics 1. + +Kinetics 1. + + Time step: 1 seconds + + Rate name Delta Moles Total Moles Reactant Coefficient + + Albite_Hermanska -4.064e-11 1.000e+00 NaAlSi3O8 1 + +-------------------------------Phase assemblage-------------------------------- + + Moles in assemblage +Phase SI log IAP log K(T, P) Initial Final Delta + +Fix_pH -0.50 -0.50 0.00 + LiOH is reactant 1.000e+01 1.041e+01 4.071e-01 +LiBr 0.00 -20.00 -20.00 1.000e+01 9.593e+00 -4.071e-01 + +-----------------------------Solution composition------------------------------ + + Elements Molality Moles + + Al 4.094e-11 4.064e-11 + Br 4.101e-01 4.071e-01 + Li 5.392e-20 5.352e-20 + Na 4.094e-11 4.064e-11 + Si 1.228e-10 1.219e-10 + +----------------------------Description of solution---------------------------- + + pH = 0.500 Charge balance + pe = 17.506 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 157258 + Density (g/cm³) = 1.01967 + Volume (L) = 1.00582 + Viscosity (mPa s) = 0.89913 + Activity of water = 0.986 + Ionic strength (mol/kgw) = 4.101e-01 + Mass of water (kg) = 9.927e-01 + Total alkalinity (eq/kg) = -4.101e-01 + Temperature (°C) = 25.00 + Electrical balance (eq) = -1.458e-09 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Iterations = 18 + Total H = 1.106053e+02 + Total O = 5.509913e+01 + +----------------------------Distribution of species---------------------------- + + Log Log Log mole V + Species Molality Activity Molality Activity Gamma cm³/mol + + H+ 4.101e-01 3.162e-01 -0.387 -0.500 -0.113 0.00 + OH- 4.867e-14 3.156e-14 -13.313 -13.501 -0.188 -3.09 + H2O 5.551e+01 9.861e-01 1.744 -0.006 0.000 18.07 +Al 4.094e-11 + Al+3 4.094e-11 3.946e-12 -10.388 -11.404 -1.016 -40.50 + AlOH+2 4.998e-16 1.222e-16 -15.301 -15.913 -0.612 -26.74 + Al(OH)2+ 4.248e-21 2.987e-21 -20.372 -20.525 -0.153 (0) + Al(OH)3 1.249e-27 1.372e-27 -26.904 -26.863 0.041 (0) + Al(OH)4- 1.187e-32 8.066e-33 -31.926 -32.093 -0.168 (0) +Br 4.101e-01 + Br- 4.101e-01 2.586e-01 -0.387 -0.587 -0.200 25.09 +H(0) 1.252e-39 + H2 6.258e-40 6.878e-40 -39.204 -39.163 0.041 28.61 +Li 5.392e-20 + Li+ 5.392e-20 3.867e-20 -19.268 -19.413 -0.144 -0.86 +Na 4.094e-11 + Na+ 4.094e-11 2.952e-11 -10.388 -10.530 -0.142 -0.71 + NaOH 8.476e-35 9.315e-35 -34.072 -34.031 0.041 (0) +O(0) 1.559e-14 + O2 7.797e-15 8.569e-15 -14.108 -14.067 0.041 30.40 +Si 1.228e-10 + H4SiO4 1.228e-10 1.350e-10 -9.911 -9.870 0.041 52.08 + H3SiO4- 9.470e-20 6.294e-20 -19.024 -19.201 -0.177 28.55 + H2SiO4-2 5.537e-32 1.354e-32 -31.257 -31.868 -0.612 (0) + +------------------------------Saturation indices------------------------------- + + Phase SI** log IAP log K(298 K, 1 atm) + + Al(OH)3(a) -20.72 -9.92 10.80 Al(OH)3 + Albite -54.18 -72.18 -18.00 NaAlSi3O8 + Chalcedony -6.31 -9.86 -3.55 SiO2 + Fix_pH -0.50 -0.50 0.00 H+ + Gibbsite -18.03 -9.92 8.11 Al(OH)3 + H2(g) -36.06 -39.16 -3.10 H2 + H2O(g) -1.51 -0.01 1.50 H2O + Kaolinite -46.99 -39.55 7.43 Al2Si2O5(OH)4 + LiBr 0.00 -20.00 -20.00 LiBr + O2(g) -11.17 -14.07 -2.89 O2 + Quartz -5.88 -9.86 -3.98 SiO2 + SiO2(a) -7.15 -9.86 -2.71 SiO2 + +**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. + For ideal gases, phi = 1. + +------------------ +End of simulation. +------------------ + +------------------------------------- +Reading input data for simulation 65. +------------------------------------- + + USE solution 1 + EQUILIBRIUM_PHASES 1 + LiBr + Fix_pH -1 LiOH 10 + USE kinetics 1 + END +----------------------------------------- +Beginning of batch-reaction calculations. +----------------------------------------- + +Reaction step 1. + +Using solution 1. +Using pure phase assemblage 1. +Using kinetics 1. + +Kinetics 1. + + Time step: 1 seconds + + Rate name Delta Moles Total Moles Reactant Coefficient + + Albite_Hermanska -3.069e-11 1.000e+00 NaAlSi3O8 1 + +-------------------------------Phase assemblage-------------------------------- + + Moles in assemblage +Phase SI log IAP log K(T, P) Initial Final Delta + +Fix_pH -1.00 -1.00 0.00 + LiOH is reactant 1.000e+01 1.012e+01 1.221e-01 +LiBr 0.00 -20.00 -20.00 1.000e+01 9.878e+00 -1.221e-01 + +-----------------------------Solution composition------------------------------ + + Elements Molality Moles + + Al 3.075e-11 3.069e-11 + Br 1.224e-01 1.221e-01 + Li 1.414e-19 1.411e-19 + Na 3.075e-11 3.069e-11 + Si 9.226e-11 9.206e-11 + +----------------------------Description of solution---------------------------- + + pH = 1.000 Charge balance + pe = 17.025 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 48875 + Density (g/cm³) = 1.00387 + Volume (L) = 1.00379 + Viscosity (mPa s) = 0.89301 + Activity of water = 0.996 + Ionic strength (mol/kgw) = 1.224e-01 + Mass of water (kg) = 9.978e-01 + Total alkalinity (eq/kg) = -1.224e-01 + Temperature (°C) = 25.00 + Electrical balance (eq) = -1.227e-09 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Iterations = 19 + Total H = 1.108903e+02 + Total O = 5.538411e+01 + +----------------------------Distribution of species---------------------------- + + Log Log Log mole V + Species Molality Activity Molality Activity Gamma cm³/mol + + H+ 1.224e-01 1.000e-01 -0.912 -1.000 -0.088 0.00 + OH- 1.351e-13 1.008e-13 -12.869 -12.997 -0.127 -3.67 + H2O 5.551e+01 9.958e-01 1.744 -0.002 0.000 18.07 +Al 3.075e-11 + Al+3 3.075e-11 4.994e-12 -10.512 -11.302 -0.789 -41.03 + AlOH+2 1.362e-15 4.940e-16 -14.866 -15.306 -0.440 -27.06 + Al(OH)2+ 4.969e-20 3.856e-20 -19.304 -19.414 -0.110 (0) + Al(OH)3 5.501e-26 5.658e-26 -25.260 -25.247 0.012 (0) + Al(OH)4- 1.392e-30 1.062e-30 -29.856 -29.974 -0.118 (0) +Br 1.224e-01 + Br- 1.224e-01 9.016e-02 -0.912 -1.045 -0.133 24.85 +H(0) 1.226e-39 + H2 6.128e-40 6.303e-40 -39.213 -39.200 0.012 28.61 +Li 1.414e-19 + Li+ 1.414e-19 1.109e-19 -18.849 -18.955 -0.106 -1.11 +Na 3.075e-11 + Na+ 3.075e-11 2.379e-11 -10.512 -10.624 -0.111 -1.05 + NaOH 2.332e-34 2.398e-34 -33.632 -33.620 0.012 (0) +O(0) 2.024e-14 + O2 1.012e-14 1.041e-14 -13.995 -13.983 0.012 30.40 +Si 9.226e-11 + H4SiO4 9.226e-11 9.490e-11 -10.035 -10.023 0.012 52.08 + H3SiO4- 1.854e-19 1.399e-19 -18.732 -18.854 -0.122 28.27 + H2SiO4-2 2.624e-31 9.518e-32 -30.581 -31.021 -0.440 (0) + +------------------------------Saturation indices------------------------------- + + Phase SI** log IAP log K(298 K, 1 atm) + + Al(OH)3(a) -19.11 -8.31 10.80 Al(OH)3 + Albite -52.65 -70.65 -18.00 NaAlSi3O8 + Chalcedony -6.47 -10.02 -3.55 SiO2 + Fix_pH -1.00 -1.00 0.00 H+ + Gibbsite -16.42 -8.31 8.11 Al(OH)3 + H2(g) -36.10 -39.20 -3.10 H2 + H2O(g) -1.50 -0.00 1.50 H2O + Kaolinite -44.09 -36.65 7.43 Al2Si2O5(OH)4 + LiBr 0.00 -20.00 -20.00 LiBr + O2(g) -11.09 -13.98 -2.89 O2 + Quartz -6.04 -10.02 -3.98 SiO2 + SiO2(a) -7.31 -10.02 -2.71 SiO2 + +**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. + For ideal gases, phi = 1. + +------------------ +End of simulation. +------------------ + +------------------------------------- +Reading input data for simulation 66. +------------------------------------- + + USE solution 1 + EQUILIBRIUM_PHASES 1 + LiBr + Fix_pH -1.5000e+00 LiOH 10 + USE kinetics 1 + END +----------------------------------------- +Beginning of batch-reaction calculations. +----------------------------------------- + +Reaction step 1. + +Using solution 1. +Using pure phase assemblage 1. +Using kinetics 1. + +Kinetics 1. + + Time step: 1 seconds + + Rate name Delta Moles Total Moles Reactant Coefficient + + Albite_Hermanska -2.365e-11 1.000e+00 NaAlSi3O8 1 + +-------------------------------Phase assemblage-------------------------------- + + Moles in assemblage +Phase SI log IAP log K(T, P) Initial Final Delta + +Fix_pH -1.50 -1.50 0.00 + LiOH is reactant 1.000e+01 1.004e+01 3.647e-02 +LiBr 0.00 -20.00 -20.00 1.000e+01 9.964e+00 -3.647e-02 + +-----------------------------Solution composition------------------------------ + + Elements Molality Moles + + Al 2.366e-11 2.365e-11 + Br 3.650e-02 3.647e-02 + Li 3.895e-19 3.893e-19 + Na 2.366e-11 2.365e-11 + Si 7.099e-11 7.094e-11 + +----------------------------Description of solution---------------------------- + + pH = 1.500 Charge balance + pe = 16.491 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 14865 + Density (g/cm³) = 0.99909 + Volume (L) = 1.00321 + Viscosity (mPa s) = 0.89108 + Activity of water = 0.999 + Ionic strength (mol/kgw) = 3.650e-02 + Mass of water (kg) = 9.993e-01 + Total alkalinity (eq/kg) = -3.650e-02 + Temperature (°C) = 25.00 + Electrical balance (eq) = -1.381e-09 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Iterations = 18 + Total H = 1.109760e+02 + Total O = 5.546974e+01 + +----------------------------Distribution of species---------------------------- + + Log Log Log mole V + Species Molality Activity Molality Activity Gamma cm³/mol + + H+ 3.650e-02 3.162e-02 -1.438 -1.500 -0.062 0.00 + OH- 3.842e-13 3.197e-13 -12.415 -12.495 -0.080 -3.92 + H2O 5.551e+01 9.988e-01 1.744 -0.001 0.000 18.07 +Al 2.366e-11 + Al+3 2.366e-11 6.510e-12 -10.626 -11.186 -0.560 -41.48 + AlOH+2 3.992e-15 2.042e-15 -14.399 -14.690 -0.291 -27.34 + Al(OH)2+ 5.978e-19 5.055e-19 -18.223 -18.296 -0.073 (0) + Al(OH)3 2.333e-24 2.353e-24 -23.632 -23.628 0.004 (0) + Al(OH)4- 1.668e-28 1.400e-28 -27.778 -27.854 -0.076 (0) +Br 3.650e-02 + Br- 3.650e-02 3.022e-02 -1.438 -1.520 -0.082 24.71 +H(0) 1.461e-39 + H2 7.304e-40 7.366e-40 -39.136 -39.133 0.004 28.61 +Li 3.895e-19 + Li+ 3.895e-19 3.309e-19 -18.409 -18.480 -0.071 -1.26 +Na 2.366e-11 + Na+ 2.366e-11 1.993e-11 -10.626 -10.701 -0.075 -1.25 + NaOH 6.317e-34 6.370e-34 -33.199 -33.196 0.004 (0) +O(0) 1.520e-14 + O2 7.601e-15 7.665e-15 -14.119 -14.115 0.004 30.40 +Si 7.099e-11 + H4SiO4 7.099e-11 7.158e-11 -10.149 -10.145 0.004 52.08 + H3SiO4- 3.993e-19 3.338e-19 -18.399 -18.477 -0.078 28.12 + H2SiO4-2 1.404e-30 7.180e-31 -29.853 -30.144 -0.291 (0) + +------------------------------Saturation indices------------------------------- + + Phase SI** log IAP log K(298 K, 1 atm) + + Al(OH)3(a) -17.49 -6.69 10.80 Al(OH)3 + Albite -50.98 -68.99 -18.00 NaAlSi3O8 + Chalcedony -6.59 -10.14 -3.55 SiO2 + Fix_pH -1.50 -1.50 0.00 H+ + Gibbsite -14.80 -6.69 8.11 Al(OH)3 + H2(g) -36.03 -39.13 -3.10 H2 + H2O(g) -1.50 -0.00 1.50 H2O + Kaolinite -41.10 -33.66 7.43 Al2Si2O5(OH)4 + LiBr 0.00 -20.00 -20.00 LiBr + O2(g) -11.22 -14.12 -2.89 O2 + Quartz -6.16 -10.14 -3.98 SiO2 + SiO2(a) -7.43 -10.14 -2.71 SiO2 + +**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. + For ideal gases, phi = 1. + +------------------ +End of simulation. +------------------ + +------------------------------------- +Reading input data for simulation 67. +------------------------------------- + + USE solution 1 + EQUILIBRIUM_PHASES 1 + LiBr + Fix_pH -2 LiOH 10 + USE kinetics 1 + END +----------------------------------------- +Beginning of batch-reaction calculations. +----------------------------------------- + +Reaction step 1. + +Using solution 1. +Using pure phase assemblage 1. +Using kinetics 1. + +Kinetics 1. + + Time step: 1 seconds + + Rate name Delta Moles Total Moles Reactant Coefficient + + Albite_Hermanska -1.868e-11 1.000e+00 NaAlSi3O8 1 + +-------------------------------Phase assemblage-------------------------------- + + Moles in assemblage +Phase SI log IAP log K(T, P) Initial Final Delta + +Fix_pH -2.00 -2.00 0.00 + LiOH is reactant 1.000e+01 1.001e+01 1.098e-02 +LiBr 0.00 -20.00 -20.00 1.000e+01 9.989e+00 -1.098e-02 + +-----------------------------Solution composition------------------------------ + + Elements Molality Moles + + Al 1.868e-11 1.868e-11 + Br 1.099e-02 1.098e-02 + Li 1.127e-18 1.127e-18 + Na 1.868e-11 1.868e-11 + Si 5.605e-11 5.603e-11 + +----------------------------Description of solution---------------------------- + + pH = 2.000 Charge balance + pe = 16.158 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 4529 + Density (g/cm³) = 0.99766 + Volume (L) = 1.00304 + Viscosity (mPa s) = 0.89043 + Activity of water = 1.000 + Ionic strength (mol/kgw) = 1.099e-02 + Mass of water (kg) = 9.998e-01 + Total alkalinity (eq/kg) = -1.099e-02 + Temperature (°C) = 25.00 + Electrical balance (eq) = -1.298e-09 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Iterations = 17 + Total H = 1.110015e+02 + Total O = 5.549523e+01 + +----------------------------Distribution of species---------------------------- + + Log Log Log mole V + Species Molality Activity Molality Activity Gamma cm³/mol + + H+ 1.099e-02 1.000e-02 -1.959 -2.000 -0.041 0.00 + OH- 1.129e-12 1.012e-12 -11.947 -11.995 -0.048 -4.03 + H2O 5.551e+01 9.996e-01 1.744 -0.000 0.000 18.07 +Al 1.868e-11 + Al+3 1.867e-11 8.014e-12 -10.729 -11.096 -0.367 -41.85 + AlOH+2 1.205e-14 7.957e-15 -13.919 -14.099 -0.180 -27.54 + Al(OH)2+ 6.916e-18 6.234e-18 -17.160 -17.205 -0.045 (0) + Al(OH)3 9.159e-23 9.182e-23 -22.038 -22.037 0.001 (0) + Al(OH)4- 1.925e-26 1.730e-26 -25.716 -25.762 -0.046 (0) +Br 1.099e-02 + Br- 1.099e-02 9.826e-03 -1.959 -2.008 -0.048 24.63 +H(0) 6.836e-40 + H2 3.418e-40 3.427e-40 -39.466 -39.465 0.001 28.61 +Li 1.127e-18 + Li+ 1.127e-18 1.018e-18 -17.948 -17.992 -0.044 -1.34 +Na 1.868e-11 + Na+ 1.868e-11 1.681e-11 -10.729 -10.775 -0.046 -1.37 + NaOH 1.696e-33 1.700e-33 -32.771 -32.769 0.001 (0) +O(0) 7.077e-14 + O2 3.538e-14 3.547e-14 -13.451 -13.450 0.001 30.40 +Si 5.605e-11 + H4SiO4 5.605e-11 5.619e-11 -10.251 -10.250 0.001 52.08 + H3SiO4- 9.231e-19 8.285e-19 -18.035 -18.082 -0.047 28.04 + H2SiO4-2 8.536e-30 5.636e-30 -29.069 -29.249 -0.180 (0) + +------------------------------Saturation indices------------------------------- + + Phase SI** log IAP log K(298 K, 1 atm) + + Al(OH)3(a) -15.90 -5.10 10.80 Al(OH)3 + Albite -49.28 -67.29 -18.00 NaAlSi3O8 + Chalcedony -6.70 -10.25 -3.55 SiO2 + Fix_pH -2.00 -2.00 0.00 H+ + Gibbsite -13.21 -5.10 8.11 Al(OH)3 + H2(g) -36.36 -39.47 -3.10 H2 + H2O(g) -1.50 -0.00 1.50 H2O + Kaolinite -38.13 -30.69 7.43 Al2Si2O5(OH)4 + LiBr 0.00 -20.00 -20.00 LiBr + O2(g) -10.56 -13.45 -2.89 O2 + Quartz -6.27 -10.25 -3.98 SiO2 + SiO2(a) -7.54 -10.25 -2.71 SiO2 + +**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. + For ideal gases, phi = 1. + +------------------ +End of simulation. +------------------ + +------------------------------------- +Reading input data for simulation 68. +------------------------------------- + + USE solution 1 + EQUILIBRIUM_PHASES 1 + LiBr + Fix_pH -2.5000e+00 LiOH 10 + USE kinetics 1 + END +----------------------------------------- +Beginning of batch-reaction calculations. +----------------------------------------- + +Reaction step 1. + +Using solution 1. +Using pure phase assemblage 1. +Using kinetics 1. + +Kinetics 1. + + Time step: 1 seconds + + Rate name Delta Moles Total Moles Reactant Coefficient + + Albite_Hermanska -1.518e-11 1.000e+00 NaAlSi3O8 1 + +-------------------------------Phase assemblage-------------------------------- + + Moles in assemblage +Phase SI log IAP log K(T, P) Initial Final Delta + +Fix_pH -2.50 -2.50 0.00 + LiOH is reactant 1.000e+01 1.000e+01 3.351e-03 +LiBr 0.00 -20.00 -20.00 1.000e+01 9.997e+00 -3.351e-03 + +-----------------------------Solution composition------------------------------ + + Elements Molality Moles + + Al 1.518e-11 1.518e-11 + Br 3.351e-03 3.351e-03 + Li 3.382e-18 3.382e-18 + Na 1.518e-11 1.518e-11 + Si 4.555e-11 4.555e-11 + +----------------------------Description of solution---------------------------- + + pH = 2.500 Charge balance + pe = 15.595 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 1393 + Density (g/cm³) = 0.99723 + Volume (L) = 1.00299 + Viscosity (mPa s) = 0.89020 + Activity of water = 1.000 + Ionic strength (mol/kgw) = 3.351e-03 + Mass of water (kg) = 9.999e-01 + Total alkalinity (eq/kg) = -3.351e-03 + Temperature (°C) = 25.00 + Electrical balance (eq) = -1.217e-09 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Iterations = 17 + Total H = 1.110091e+02 + Total O = 5.550287e+01 + +----------------------------Distribution of species---------------------------- + + Log Log Log mole V + Species Molality Activity Molality Activity Gamma cm³/mol + + H+ 3.351e-03 3.162e-03 -2.475 -2.500 -0.025 0.00 + OH- 3.411e-12 3.200e-12 -11.467 -11.495 -0.028 -4.08 + H2O 5.551e+01 9.999e-01 1.744 -0.000 0.000 18.07 +Al 1.518e-11 + Al+3 1.515e-11 8.983e-12 -10.820 -11.047 -0.227 -42.11 + AlOH+2 3.611e-14 2.821e-14 -13.442 -13.550 -0.107 -27.68 + Al(OH)2+ 7.437e-17 6.992e-17 -16.129 -16.155 -0.027 (0) + Al(OH)3 3.255e-21 3.257e-21 -20.487 -20.487 0.000 (0) + Al(OH)4- 2.067e-24 1.941e-24 -23.685 -23.712 -0.027 (0) +Br 3.351e-03 + Br- 3.351e-03 3.143e-03 -2.475 -2.503 -0.028 24.58 +H(0) 9.118e-40 + H2 4.559e-40 4.562e-40 -39.341 -39.341 0.000 28.61 +Li 3.382e-18 + Li+ 3.382e-18 3.182e-18 -17.471 -17.497 -0.027 -1.38 +Na 1.518e-11 + Na+ 1.518e-11 1.426e-11 -10.819 -10.846 -0.027 -1.44 + NaOH 4.561e-33 4.565e-33 -32.341 -32.341 0.000 (0) +O(0) 4.001e-14 + O2 2.001e-14 2.002e-14 -13.699 -13.698 0.000 30.40 +Si 4.555e-11 + H4SiO4 4.555e-11 4.558e-11 -10.342 -10.341 0.000 52.08 + H3SiO4- 2.264e-18 2.125e-18 -17.645 -17.673 -0.027 28.00 + H2SiO4-2 5.851e-29 4.572e-29 -28.233 -28.340 -0.107 (0) + +------------------------------Saturation indices------------------------------- + + Phase SI** log IAP log K(298 K, 1 atm) + + Al(OH)3(a) -14.35 -3.55 10.80 Al(OH)3 + Albite -47.58 -65.58 -18.00 NaAlSi3O8 + Chalcedony -6.79 -10.34 -3.55 SiO2 + Fix_pH -2.50 -2.50 0.00 H+ + Gibbsite -11.66 -3.55 8.11 Al(OH)3 + H2(g) -36.24 -39.34 -3.10 H2 + H2O(g) -1.50 -0.00 1.50 H2O + Kaolinite -35.21 -27.78 7.43 Al2Si2O5(OH)4 + LiBr 0.00 -20.00 -20.00 LiBr + O2(g) -10.81 -13.70 -2.89 O2 + Quartz -6.36 -10.34 -3.98 SiO2 + SiO2(a) -7.63 -10.34 -2.71 SiO2 + +**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. + For ideal gases, phi = 1. + +------------------ +End of simulation. +------------------ + +------------------------------------- +Reading input data for simulation 69. +------------------------------------- + + USE solution 1 + EQUILIBRIUM_PHASES 1 + LiBr + Fix_pH -3 LiOH 10 + USE kinetics 1 + END +----------------------------------------- +Beginning of batch-reaction calculations. +----------------------------------------- + +Reaction step 1. + +Using solution 1. +Using pure phase assemblage 1. +Using kinetics 1. + +Kinetics 1. + + Time step: 1 seconds + + Rate name Delta Moles Total Moles Reactant Coefficient + + Albite_Hermanska -1.274e-11 1.000e+00 NaAlSi3O8 1 + +-------------------------------Phase assemblage-------------------------------- + + Moles in assemblage +Phase SI log IAP log K(T, P) Initial Final Delta + +Fix_pH -3.00 -3.00 0.00 + LiOH is reactant 1.000e+01 1.000e+01 1.035e-03 +LiBr 0.00 -20.00 -20.00 1.000e+01 9.999e+00 -1.035e-03 + +-----------------------------Solution composition------------------------------ + + Elements Molality Moles + + Al 1.274e-11 1.274e-11 + Br 1.035e-03 1.035e-03 + Li 1.038e-17 1.038e-17 + Na 1.274e-11 1.274e-11 + Si 3.821e-11 3.821e-11 + +----------------------------Description of solution---------------------------- + + pH = 3.000 Charge balance + pe = 14.819 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 433 + Density (g/cm³) = 0.99710 + Volume (L) = 1.00297 + Viscosity (mPa s) = 0.89011 + Activity of water = 1.000 + Ionic strength (mol/kgw) = 1.035e-03 + Mass of water (kg) = 1.000e+00 + Total alkalinity (eq/kg) = -1.035e-03 + Temperature (°C) = 25.00 + Electrical balance (eq) = -1.217e-09 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Iterations = 16 + Total H = 1.110114e+02 + Total O = 5.550518e+01 + +----------------------------Distribution of species---------------------------- + + Log Log Log mole V + Species Molality Activity Molality Activity Gamma cm³/mol + + H+ 1.035e-03 1.000e-03 -2.985 -3.000 -0.015 0.00 + OH- 1.050e-11 1.012e-11 -10.979 -10.995 -0.016 -4.11 + H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07 +Al 1.274e-11 + Al+3 1.263e-11 9.259e-12 -10.899 -11.033 -0.135 -42.28 + AlOH+2 1.061e-13 9.197e-14 -12.974 -13.036 -0.062 -27.76 + Al(OH)2+ 7.470e-16 7.208e-16 -15.127 -15.142 -0.016 (0) + Al(OH)3 1.062e-19 1.062e-19 -18.974 -18.974 0.000 (0) + Al(OH)4- 2.075e-22 2.002e-22 -21.683 -21.699 -0.016 (0) +Br 1.035e-03 + Br- 1.035e-03 9.979e-04 -2.985 -3.001 -0.016 24.56 +H(0) 3.252e-39 + H2 1.626e-39 1.626e-39 -38.789 -38.789 0.000 28.61 +Li 1.038e-17 + Li+ 1.038e-17 1.002e-17 -16.984 -16.999 -0.015 -1.41 +Na 1.274e-11 + Na+ 1.274e-11 1.229e-11 -10.895 -10.911 -0.016 -1.48 + NaOH 1.243e-32 1.244e-32 -31.905 -31.905 0.000 (0) +O(0) 3.152e-15 + O2 1.576e-15 1.576e-15 -14.802 -14.802 0.000 30.40 +Si 3.821e-11 + H4SiO4 3.821e-11 3.822e-11 -10.418 -10.418 0.000 52.08 + H3SiO4- 5.844e-18 5.636e-18 -17.233 -17.249 -0.016 27.97 + H2SiO4-2 4.423e-28 3.834e-28 -27.354 -27.416 -0.062 (0) + +------------------------------Saturation indices------------------------------- + + Phase SI** log IAP log K(298 K, 1 atm) + + Al(OH)3(a) -12.83 -2.03 10.80 Al(OH)3 + Albite -45.86 -63.86 -18.00 NaAlSi3O8 + Chalcedony -6.87 -10.42 -3.55 SiO2 + Fix_pH -3.00 -3.00 0.00 H+ + Gibbsite -10.14 -2.03 8.11 Al(OH)3 + H2(g) -35.69 -38.79 -3.10 H2 + H2O(g) -1.50 -0.00 1.50 H2O + Kaolinite -32.34 -24.90 7.43 Al2Si2O5(OH)4 + LiBr 0.00 -20.00 -20.00 LiBr + O2(g) -11.91 -14.80 -2.89 O2 + Quartz -6.44 -10.42 -3.98 SiO2 + SiO2(a) -7.71 -10.42 -2.71 SiO2 + +**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. + For ideal gases, phi = 1. + +------------------ +End of simulation. +------------------ + +------------------------------------- +Reading input data for simulation 70. +------------------------------------- + + USE solution 1 + EQUILIBRIUM_PHASES 1 + LiBr + Fix_pH -3.5000e+00 LiOH 10 + USE kinetics 1 + END +----------------------------------------- +Beginning of batch-reaction calculations. +----------------------------------------- + +Reaction step 1. + +Using solution 1. +Using pure phase assemblage 1. +Using kinetics 1. + +Kinetics 1. + + Time step: 1 seconds + + Rate name Delta Moles Total Moles Reactant Coefficient + + Albite_Hermanska -1.105e-11 1.000e+00 NaAlSi3O8 1 + +-------------------------------Phase assemblage-------------------------------- + + Moles in assemblage +Phase SI log IAP log K(T, P) Initial Final Delta + +Fix_pH -3.50 -3.50 0.00 + LiOH is reactant 1.000e+01 1.000e+01 3.226e-04 +LiBr 0.00 -20.00 -20.00 1.000e+01 1.000e+01 -3.226e-04 + +-----------------------------Solution composition------------------------------ + + Elements Molality Moles + + Al 1.105e-11 1.105e-11 + Br 3.226e-04 3.226e-04 + Li 3.230e-17 3.230e-17 + Na 1.105e-11 1.105e-11 + Si 3.315e-11 3.315e-11 + +----------------------------Description of solution---------------------------- + + pH = 3.500 Charge balance + pe = 14.614 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 135 + Density (g/cm³) = 0.99706 + Volume (L) = 1.00297 + Viscosity (mPa s) = 0.89006 + Activity of water = 1.000 + Ionic strength (mol/kgw) = 3.226e-04 + Mass of water (kg) = 1.000e+00 + Total alkalinity (eq/kg) = -3.226e-04 + Temperature (°C) = 25.00 + Electrical balance (eq) = -1.217e-09 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Iterations = 16 + Total H = 1.110121e+02 + Total O = 5.550589e+01 + +----------------------------Distribution of species---------------------------- + + Log Log Log mole V + Species Molality Activity Molality Activity Gamma cm³/mol + + H+ 3.226e-04 3.162e-04 -3.491 -3.500 -0.009 0.00 + OH- 3.268e-11 3.201e-11 -10.486 -10.495 -0.009 -4.12 + H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07 +Al 1.105e-11 + Al+3 1.074e-11 8.966e-12 -10.969 -11.047 -0.078 -42.39 + AlOH+2 3.056e-13 2.816e-13 -12.515 -12.550 -0.036 -27.81 + Al(OH)2+ 7.124e-15 6.980e-15 -14.147 -14.156 -0.009 (0) + Al(OH)3 3.252e-18 3.252e-18 -17.488 -17.488 0.000 (0) + Al(OH)4- 1.978e-20 1.938e-20 -19.704 -19.713 -0.009 (0) +Br 3.226e-04 + Br- 3.226e-04 3.160e-04 -3.491 -3.500 -0.009 24.55 +H(0) 8.374e-40 + H2 4.187e-40 4.187e-40 -39.378 -39.378 0.000 28.61 +Li 3.230e-17 + Li+ 3.230e-17 3.164e-17 -16.491 -16.500 -0.009 -1.42 +Na 1.105e-11 + Na+ 1.105e-11 1.082e-11 -10.957 -10.966 -0.009 -1.50 + NaOH 3.464e-32 3.465e-32 -31.460 -31.460 0.000 (0) +O(0) 4.754e-14 + O2 2.377e-14 2.377e-14 -13.624 -13.624 0.000 30.40 +Si 3.315e-11 + H4SiO4 3.315e-11 3.315e-11 -10.480 -10.480 0.000 52.08 + H3SiO4- 1.578e-17 1.546e-17 -16.802 -16.811 -0.009 27.96 + H2SiO4-2 3.608e-27 3.325e-27 -26.443 -26.478 -0.036 (0) + +------------------------------Saturation indices------------------------------- + + Phase SI** log IAP log K(298 K, 1 atm) + + Al(OH)3(a) -11.35 -0.55 10.80 Al(OH)3 + Albite -44.11 -62.12 -18.00 NaAlSi3O8 + Chalcedony -6.93 -10.48 -3.55 SiO2 + Fix_pH -3.50 -3.50 0.00 H+ + Gibbsite -8.66 -0.55 8.11 Al(OH)3 + H2(g) -36.28 -39.38 -3.10 H2 + H2O(g) -1.50 -0.00 1.50 H2O + Kaolinite -29.49 -22.05 7.43 Al2Si2O5(OH)4 + LiBr 0.00 -20.00 -20.00 LiBr + O2(g) -10.73 -13.62 -2.89 O2 + Quartz -6.50 -10.48 -3.98 SiO2 + SiO2(a) -7.77 -10.48 -2.71 SiO2 + +**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. + For ideal gases, phi = 1. + +------------------ +End of simulation. +------------------ + +------------------------------------- +Reading input data for simulation 71. +------------------------------------- + + USE solution 1 + EQUILIBRIUM_PHASES 1 + LiBr + Fix_pH -4 LiOH 10 + USE kinetics 1 + END +----------------------------------------- +Beginning of batch-reaction calculations. +----------------------------------------- + +Reaction step 1. + +Using solution 1. +Using pure phase assemblage 1. +Using kinetics 1. + +Kinetics 1. + + Time step: 1 seconds + + Rate name Delta Moles Total Moles Reactant Coefficient + + Albite_Hermanska -9.914e-12 1.000e+00 NaAlSi3O8 1 + +-------------------------------Phase assemblage-------------------------------- + + Moles in assemblage +Phase SI log IAP log K(T, P) Initial Final Delta + +Fix_pH -4.00 -4.00 0.00 + LiOH is reactant 1.000e+01 1.000e+01 1.012e-04 +LiBr 0.00 -20.00 -20.00 1.000e+01 1.000e+01 -1.012e-04 + +-----------------------------Solution composition------------------------------ + + Elements Molality Moles + + Al 9.914e-12 9.914e-12 + Br 1.012e-04 1.012e-04 + Li 1.012e-16 1.012e-16 + Na 9.914e-12 9.914e-12 + Si 2.974e-11 2.974e-11 + +----------------------------Description of solution---------------------------- + + pH = 4.000 Charge balance + pe = 14.016 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 42 + Density (g/cm³) = 0.99705 + Volume (L) = 1.00297 + Viscosity (mPa s) = 0.89005 + Activity of water = 1.000 + Ionic strength (mol/kgw) = 1.012e-04 + Mass of water (kg) = 1.000e+00 + Total alkalinity (eq/kg) = -1.012e-04 + Temperature (°C) = 25.00 + Electrical balance (eq) = -1.217e-09 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Iterations = 15 + Total H = 1.110123e+02 + Total O = 5.550612e+01 + +----------------------------Distribution of species---------------------------- + + Log Log Log mole V + Species Molality Activity Molality Activity Gamma cm³/mol + + H+ 1.012e-04 1.000e-04 -3.995 -4.000 -0.005 0.00 + OH- 1.024e-10 1.012e-10 -9.990 -9.995 -0.005 -4.13 + H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07 +Al 9.914e-12 + Al+3 9.005e-12 8.122e-12 -11.046 -11.090 -0.045 -42.45 + AlOH+2 8.451e-13 8.068e-13 -12.073 -12.093 -0.020 -27.84 + Al(OH)2+ 6.397e-14 6.323e-14 -13.194 -13.199 -0.005 (0) + Al(OH)3 9.316e-17 9.317e-17 -16.031 -16.031 0.000 (0) + Al(OH)4- 1.776e-18 1.756e-18 -17.750 -17.755 -0.005 (0) +Br 1.012e-04 + Br- 1.012e-04 9.998e-05 -3.995 -4.000 -0.005 24.54 +H(0) 1.315e-39 + H2 6.577e-40 6.577e-40 -39.182 -39.182 0.000 28.61 +Li 1.012e-16 + Li+ 1.012e-16 1.000e-16 -15.995 -16.000 -0.005 -1.43 +Na 9.914e-12 + Na+ 9.914e-12 9.800e-12 -11.004 -11.009 -0.005 -1.51 + NaOH 9.919e-32 9.919e-32 -31.004 -31.004 0.000 (0) +O(0) 1.927e-14 + O2 9.636e-15 9.636e-15 -14.016 -14.016 0.000 30.40 +Si 2.974e-11 + H4SiO4 2.974e-11 2.974e-11 -10.527 -10.527 0.000 52.08 + H3SiO4- 4.437e-17 4.386e-17 -16.353 -16.358 -0.005 27.95 + H2SiO4-2 3.125e-26 2.983e-26 -25.505 -25.525 -0.020 (0) + +------------------------------Saturation indices------------------------------- + + Phase SI** log IAP log K(298 K, 1 atm) + + Al(OH)3(a) -9.89 0.91 10.80 Al(OH)3 + Albite -42.34 -60.34 -18.00 NaAlSi3O8 + Chalcedony -6.98 -10.53 -3.55 SiO2 + Fix_pH -4.00 -4.00 0.00 H+ + Gibbsite -7.20 0.91 8.11 Al(OH)3 + H2(g) -36.08 -39.18 -3.10 H2 + H2O(g) -1.50 -0.00 1.50 H2O + Kaolinite -26.67 -19.23 7.43 Al2Si2O5(OH)4 + LiBr 0.00 -20.00 -20.00 LiBr + O2(g) -11.12 -14.02 -2.89 O2 + Quartz -6.55 -10.53 -3.98 SiO2 + SiO2(a) -7.81 -10.53 -2.71 SiO2 + +**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. + For ideal gases, phi = 1. + +------------------ +End of simulation. +------------------ + +------------------------------------- +Reading input data for simulation 72. +------------------------------------- + + USE solution 1 + EQUILIBRIUM_PHASES 1 + LiBr + Fix_pH -4.5000e+00 LiOH 10 + USE kinetics 1 + END +----------------------------------------- +Beginning of batch-reaction calculations. +----------------------------------------- + +Reaction step 1. + +Using solution 1. +Using pure phase assemblage 1. +Using kinetics 1. + +Kinetics 1. + + Time step: 1 seconds + + Rate name Delta Moles Total Moles Reactant Coefficient + + Albite_Hermanska -9.196e-12 1.000e+00 NaAlSi3O8 1 + +-------------------------------Phase assemblage-------------------------------- + + Moles in assemblage +Phase SI log IAP log K(T, P) Initial Final Delta + +Fix_pH -4.50 -4.50 0.00 + LiOH is reactant 1.000e+01 1.000e+01 3.183e-05 +LiBr 0.00 -20.00 -20.00 1.000e+01 1.000e+01 -3.183e-05 + +-----------------------------Solution composition------------------------------ + + Elements Molality Moles + + Al 9.196e-12 9.196e-12 + Br 3.183e-05 3.183e-05 + Li 3.183e-16 3.183e-16 + Na 9.196e-12 9.196e-12 + Si 2.759e-11 2.759e-11 + +----------------------------Description of solution---------------------------- + + pH = 4.500 Charge balance + pe = 13.624 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 13 + Density (g/cm³) = 0.99704 + Volume (L) = 1.00297 + Viscosity (mPa s) = 0.89004 + Activity of water = 1.000 + Ionic strength (mol/kgw) = 3.183e-05 + Mass of water (kg) = 1.000e+00 + Total alkalinity (eq/kg) = -3.183e-05 + Temperature (°C) = 25.00 + Electrical balance (eq) = -1.217e-09 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Iterations = 14 + Total H = 1.110124e+02 + Total O = 5.550618e+01 + +----------------------------Distribution of species---------------------------- + + Log Log Log mole V + Species Molality Activity Molality Activity Gamma cm³/mol + + H+ 3.183e-05 3.162e-05 -4.497 -4.500 -0.003 0.00 + OH- 3.222e-10 3.201e-10 -9.492 -9.495 -0.003 -4.13 + H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07 +Al 9.196e-12 + Al+3 6.672e-12 6.292e-12 -11.176 -11.201 -0.025 -42.49 + AlOH+2 2.029e-12 1.976e-12 -11.693 -11.704 -0.011 -27.85 + Al(OH)2+ 4.930e-13 4.898e-13 -12.307 -12.310 -0.003 (0) + Al(OH)3 2.282e-15 2.282e-15 -14.642 -14.642 0.000 (0) + Al(OH)4- 1.369e-16 1.360e-16 -15.864 -15.866 -0.003 (0) +Br 3.183e-05 + Br- 3.183e-05 3.162e-05 -4.497 -4.500 -0.003 24.53 +H(0) 7.998e-40 + H2 3.999e-40 3.999e-40 -39.398 -39.398 0.000 28.61 +Li 3.183e-16 + Li+ 3.183e-16 3.162e-16 -15.497 -15.500 -0.003 -1.43 +Na 9.196e-12 + Na+ 9.196e-12 9.136e-12 -11.036 -11.039 -0.003 -1.51 + NaOH 2.924e-31 2.924e-31 -30.534 -30.534 0.000 (0) +O(0) 5.213e-14 + O2 2.607e-14 2.607e-14 -13.584 -13.584 0.000 30.40 +Si 2.759e-11 + H4SiO4 2.759e-11 2.759e-11 -10.559 -10.559 0.000 52.08 + H3SiO4- 1.295e-16 1.286e-16 -15.888 -15.891 -0.003 27.95 + H2SiO4-2 2.841e-25 2.767e-25 -24.547 -24.558 -0.011 (0) + +------------------------------Saturation indices------------------------------- + + Phase SI** log IAP log K(298 K, 1 atm) + + Al(OH)3(a) -8.50 2.30 10.80 Al(OH)3 + Albite -40.58 -58.58 -18.00 NaAlSi3O8 + Chalcedony -7.01 -10.56 -3.55 SiO2 + Fix_pH -4.50 -4.50 0.00 H+ + Gibbsite -5.81 2.30 8.11 Al(OH)3 + H2(g) -36.30 -39.40 -3.10 H2 + H2O(g) -1.50 -0.00 1.50 H2O + Kaolinite -23.96 -16.52 7.43 Al2Si2O5(OH)4 + LiBr 0.00 -20.00 -20.00 LiBr + O2(g) -10.69 -13.58 -2.89 O2 + Quartz -6.58 -10.56 -3.98 SiO2 + SiO2(a) -7.85 -10.56 -2.71 SiO2 + +**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. + For ideal gases, phi = 1. + +------------------ +End of simulation. +------------------ + +------------------------------------- +Reading input data for simulation 73. +------------------------------------- + + USE solution 1 + EQUILIBRIUM_PHASES 1 + LiBr + Fix_pH -5 LiOH 10 + USE kinetics 1 + END +----------------------------------------- +Beginning of batch-reaction calculations. +----------------------------------------- + +Reaction step 1. + +Using solution 1. +Using pure phase assemblage 1. +Using kinetics 1. + +Kinetics 1. + + Time step: 1 seconds + + Rate name Delta Moles Total Moles Reactant Coefficient + + Albite_Hermanska -8.807e-12 1.000e+00 NaAlSi3O8 1 + +-------------------------------Phase assemblage-------------------------------- + + Moles in assemblage +Phase SI log IAP log K(T, P) Initial Final Delta + +Fix_pH -5.00 -5.00 0.00 + LiOH is reactant 1.000e+01 1.000e+01 1.004e-05 +LiBr 0.00 -20.00 -20.00 1.000e+01 1.000e+01 -1.004e-05 + +-----------------------------Solution composition------------------------------ + + Elements Molality Moles + + Al 8.807e-12 8.807e-12 + Br 1.004e-05 1.004e-05 + Li 1.004e-15 1.004e-15 + Na 8.807e-12 8.807e-12 + Si 2.642e-11 2.642e-11 + +----------------------------Description of solution---------------------------- + + pH = 5.000 Charge balance + pe = 13.008 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 4 + Density (g/cm³) = 0.99704 + Volume (L) = 1.00297 + Viscosity (mPa s) = 0.89003 + Activity of water = 1.000 + Ionic strength (mol/kgw) = 1.004e-05 + Mass of water (kg) = 1.000e+00 + Total alkalinity (eq/kg) = -1.004e-05 + Temperature (°C) = 25.00 + Electrical balance (eq) = -1.217e-09 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.01 + Iterations = 15 + Total H = 1.110124e+02 + Total O = 5.550621e+01 + +----------------------------Distribution of species---------------------------- + + Log Log Log mole V + Species Molality Activity Molality Activity Gamma cm³/mol + + H+ 1.004e-05 1.000e-05 -4.998 -5.000 -0.002 0.00 + OH- 1.016e-09 1.012e-09 -8.993 -8.995 -0.002 -4.14 + H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07 +Al 8.807e-12 + Al+3 3.209e-12 3.105e-12 -11.494 -11.508 -0.014 -42.51 + AlOH+2 3.130e-12 3.084e-12 -11.504 -11.511 -0.006 -27.86 + Al(OH)2+ 2.426e-12 2.417e-12 -11.615 -11.617 -0.002 (0) + Al(OH)3 3.561e-14 3.561e-14 -13.448 -13.448 0.000 (0) + Al(OH)4- 6.737e-15 6.712e-15 -14.172 -14.173 -0.002 (0) +Br 1.004e-05 + Br- 1.004e-05 1.000e-05 -4.998 -5.000 -0.002 24.53 +H(0) 1.362e-39 + H2 6.809e-40 6.809e-40 -39.167 -39.167 0.000 28.61 +Li 1.004e-15 + Li+ 1.004e-15 1.000e-15 -14.998 -15.000 -0.002 -1.44 +Na 8.807e-12 + Na+ 8.807e-12 8.775e-12 -11.055 -11.057 -0.002 -1.52 + NaOH 8.881e-31 8.881e-31 -30.052 -30.052 0.000 (0) +O(0) 1.798e-14 + O2 8.991e-15 8.991e-15 -14.046 -14.046 0.000 30.40 +Si 2.642e-11 + H4SiO4 2.642e-11 2.642e-11 -10.578 -10.578 0.000 52.08 + H3SiO4- 3.910e-16 3.896e-16 -15.408 -15.409 -0.002 27.95 + H2SiO4-2 2.690e-24 2.650e-24 -23.570 -23.577 -0.006 (0) + +------------------------------Saturation indices------------------------------- + + Phase SI** log IAP log K(298 K, 1 atm) + + Al(OH)3(a) -7.31 3.49 10.80 Al(OH)3 + Albite -38.96 -56.96 -18.00 NaAlSi3O8 + Chalcedony -7.03 -10.58 -3.55 SiO2 + Fix_pH -5.00 -5.00 0.00 H+ + Gibbsite -4.62 3.49 8.11 Al(OH)3 + H2(g) -36.07 -39.17 -3.10 H2 + H2O(g) -1.50 -0.00 1.50 H2O + Kaolinite -21.61 -14.17 7.43 Al2Si2O5(OH)4 + LiBr 0.00 -20.00 -20.00 LiBr + O2(g) -11.15 -14.05 -2.89 O2 + Quartz -6.60 -10.58 -3.98 SiO2 + SiO2(a) -7.87 -10.58 -2.71 SiO2 + +**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. + For ideal gases, phi = 1. + +------------------ +End of simulation. +------------------ + +------------------------------------- +Reading input data for simulation 74. +------------------------------------- + + USE solution 1 + EQUILIBRIUM_PHASES 1 + LiBr + Fix_pH -5.5000e+00 LiOH 10 + USE kinetics 1 + END +----------------------------------------- +Beginning of batch-reaction calculations. +----------------------------------------- + +Reaction step 1. + +Using solution 1. +Using pure phase assemblage 1. +Using kinetics 1. + +Kinetics 1. + + Time step: 1 seconds + + Rate name Delta Moles Total Moles Reactant Coefficient + + Albite_Hermanska -8.702e-12 1.000e+00 NaAlSi3O8 1 + +-------------------------------Phase assemblage-------------------------------- + + Moles in assemblage +Phase SI log IAP log K(T, P) Initial Final Delta + +Fix_pH -5.50 -5.50 0.00 + LiOH is reactant 1.000e+01 1.000e+01 3.167e-06 +LiBr 0.00 -20.00 -20.00 1.000e+01 1.000e+01 -3.167e-06 + +-----------------------------Solution composition------------------------------ + + Elements Molality Moles + + Al 8.702e-12 8.702e-12 + Br 3.167e-06 3.167e-06 + Li 3.171e-15 3.171e-15 + Na 8.702e-12 8.702e-12 + Si 2.611e-11 2.611e-11 + +----------------------------Description of solution---------------------------- + + pH = 5.500 Charge balance + pe = 12.551 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 1 + Density (g/cm³) = 0.99704 + Volume (L) = 1.00297 + Viscosity (mPa s) = 0.89003 + Activity of water = 1.000 + Ionic strength (mol/kgw) = 3.169e-06 + Mass of water (kg) = 1.000e+00 + Total alkalinity (eq/kg) = -3.166e-06 + Temperature (°C) = 25.00 + Electrical balance (eq) = -1.217e-09 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.02 + Iterations = 15 + Total H = 1.110124e+02 + Total O = 5.550621e+01 + +----------------------------Distribution of species---------------------------- + + Log Log Log mole V + Species Molality Activity Molality Activity Gamma cm³/mol + + H+ 3.169e-06 3.162e-06 -5.499 -5.500 -0.001 0.00 + OH- 3.207e-09 3.201e-09 -8.494 -8.495 -0.001 -4.14 + H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07 +Al 8.702e-12 + Al(OH)2+ 5.402e-12 5.391e-12 -11.267 -11.268 -0.001 (0) + AlOH+2 2.193e-12 2.175e-12 -11.659 -11.663 -0.004 -27.87 + Al+3 7.055e-13 6.924e-13 -12.151 -12.160 -0.008 -42.52 + Al(OH)3 2.512e-13 2.512e-13 -12.600 -12.600 0.000 (0) + Al(OH)4- 1.500e-13 1.497e-13 -12.824 -12.825 -0.001 (0) +Br 3.167e-06 + Br- 3.167e-06 3.160e-06 -5.499 -5.500 -0.001 24.53 +H(0) 1.121e-39 + H2 5.604e-40 5.604e-40 -39.251 -39.251 0.000 28.61 +Li 3.171e-15 + Li+ 3.171e-15 3.164e-15 -14.499 -14.500 -0.001 -1.44 +Na 8.702e-12 + Na+ 8.702e-12 8.684e-12 -11.060 -11.061 -0.001 -1.52 + NaOH 2.779e-30 2.779e-30 -29.556 -29.556 0.000 (0) +O(0) 2.654e-14 + O2 1.327e-14 1.327e-14 -13.877 -13.877 0.000 30.40 +Si 2.611e-11 + H4SiO4 2.610e-11 2.610e-11 -10.583 -10.583 0.000 52.08 + H3SiO4- 1.220e-15 1.217e-15 -14.914 -14.915 -0.001 27.95 + H2SiO4-2 2.640e-23 2.618e-23 -22.578 -22.582 -0.004 (0) + +------------------------------Saturation indices------------------------------- + + Phase SI** log IAP log K(298 K, 1 atm) + + Al(OH)3(a) -6.46 4.34 10.80 Al(OH)3 + Albite -37.63 -55.64 -18.00 NaAlSi3O8 + Chalcedony -7.03 -10.58 -3.55 SiO2 + Fix_pH -5.50 -5.50 0.00 H+ + Gibbsite -3.77 4.34 8.11 Al(OH)3 + H2(g) -36.15 -39.25 -3.10 H2 + H2O(g) -1.50 -0.00 1.50 H2O + Kaolinite -19.92 -12.49 7.43 Al2Si2O5(OH)4 + LiBr 0.00 -20.00 -20.00 LiBr + O2(g) -10.98 -13.88 -2.89 O2 + Quartz -6.60 -10.58 -3.98 SiO2 + SiO2(a) -7.87 -10.58 -2.71 SiO2 + +**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. + For ideal gases, phi = 1. + +------------------ +End of simulation. +------------------ + +------------------------------------- +Reading input data for simulation 75. +------------------------------------- + + USE solution 1 + EQUILIBRIUM_PHASES 1 + LiBr + Fix_pH -6 LiOH 10 + USE kinetics 1 + END +----------------------------------------- +Beginning of batch-reaction calculations. +----------------------------------------- + +Reaction step 1. + +Using solution 1. +Using pure phase assemblage 1. +Using kinetics 1. + +Kinetics 1. + + Time step: 1 seconds + + Rate name Delta Moles Total Moles Reactant Coefficient + + Albite_Hermanska -8.867e-12 1.000e+00 NaAlSi3O8 1 + +-------------------------------Phase assemblage-------------------------------- + + Moles in assemblage +Phase SI log IAP log K(T, P) Initial Final Delta + +Fix_pH -6.00 -6.00 0.00 + LiOH is reactant 1.000e+01 1.000e+01 9.923e-07 +LiBr 0.00 -20.00 -20.00 1.000e+01 1.000e+01 -9.923e-07 + +-----------------------------Solution composition------------------------------ + + Elements Molality Moles + + Al 8.867e-12 8.867e-12 + Br 9.923e-07 9.923e-07 + Li 1.010e-14 1.010e-14 + Na 8.867e-12 8.867e-12 + Si 2.660e-11 2.660e-11 + +----------------------------Description of solution---------------------------- + + pH = 6.000 Charge balance + pe = 12.033 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 0 + Density (g/cm³) = 0.99704 + Volume (L) = 1.00297 + Viscosity (mPa s) = 0.89003 + Activity of water = 1.000 + Ionic strength (mol/kgw) = 1.002e-06 + Mass of water (kg) = 1.000e+00 + Total alkalinity (eq/kg) = -9.910e-07 + Temperature (°C) = 25.00 + Electrical balance (eq) = -1.217e-09 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.06 + Iterations = 14 + 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 + + H+ 1.001e-06 1.000e-06 -5.999 -6.000 -0.001 0.00 + OH- 1.013e-08 1.012e-08 -7.994 -7.995 -0.001 -4.14 + H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07 +Al 8.867e-12 + Al(OH)2+ 5.662e-12 5.656e-12 -11.247 -11.248 -0.001 (0) + Al(OH)4- 1.572e-12 1.571e-12 -11.803 -11.804 -0.001 (0) + Al(OH)3 8.333e-13 8.333e-13 -12.079 -12.079 0.000 (0) + AlOH+2 7.250e-13 7.216e-13 -12.140 -12.142 -0.002 -27.87 + Al+3 7.342e-14 7.265e-14 -13.134 -13.139 -0.005 -42.53 +Br 9.923e-07 + Br- 9.923e-07 9.911e-07 -6.003 -6.004 -0.001 24.53 +H(0) 1.219e-39 + H2 6.093e-40 6.093e-40 -39.215 -39.215 0.000 28.61 +Li 1.010e-14 + Li+ 1.010e-14 1.009e-14 -13.996 -13.996 -0.001 -1.44 +Na 8.867e-12 + Na+ 8.867e-12 8.856e-12 -11.052 -11.053 -0.001 -1.52 + NaOH 8.964e-30 8.964e-30 -29.048 -29.048 0.000 (0) +O(0) 2.246e-14 + O2 1.123e-14 1.123e-14 -13.950 -13.950 0.000 30.40 +Si 2.660e-11 + H4SiO4 2.660e-11 2.660e-11 -10.575 -10.575 0.000 52.08 + H3SiO4- 3.926e-15 3.922e-15 -14.406 -14.407 -0.001 27.94 + H2SiO4-2 2.680e-22 2.668e-22 -21.572 -21.574 -0.002 (0) + +------------------------------Saturation indices------------------------------- + + Phase SI** log IAP log K(298 K, 1 atm) + + Al(OH)3(a) -5.94 4.86 10.80 Al(OH)3 + Albite -36.58 -54.58 -18.00 NaAlSi3O8 + Chalcedony -7.02 -10.58 -3.55 SiO2 + Fix_pH -6.00 -6.00 0.00 H+ + Gibbsite -3.25 4.86 8.11 Al(OH)3 + H2(g) -36.11 -39.22 -3.10 H2 + H2O(g) -1.50 -0.00 1.50 H2O + Kaolinite -18.86 -11.43 7.43 Al2Si2O5(OH)4 + LiBr 0.00 -20.00 -20.00 LiBr + O2(g) -11.06 -13.95 -2.89 O2 + Quartz -6.59 -10.58 -3.98 SiO2 + SiO2(a) -7.86 -10.58 -2.71 SiO2 + +**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. + For ideal gases, phi = 1. + +------------------ +End of simulation. +------------------ + +------------------------------------- +Reading input data for simulation 76. +------------------------------------- + + USE solution 1 + EQUILIBRIUM_PHASES 1 + LiBr + Fix_pH -6.5000e+00 LiOH 10 + USE kinetics 1 + END +----------------------------------------- +Beginning of batch-reaction calculations. +----------------------------------------- + +Reaction step 1. + +Using solution 1. +Using pure phase assemblage 1. +Using kinetics 1. + +Kinetics 1. + + Time step: 1 seconds + + Rate name Delta Moles Total Moles Reactant Coefficient + + Albite_Hermanska -9.322e-12 1.000e+00 NaAlSi3O8 1 + +-------------------------------Phase assemblage-------------------------------- + + Moles in assemblage +Phase SI log IAP log K(T, P) Initial Final Delta + +Fix_pH -6.50 -6.50 0.00 + LiOH is reactant 1.000e+01 1.000e+01 2.856e-07 +LiBr 0.00 -20.00 -20.00 1.000e+01 1.000e+01 -2.856e-07 + +-----------------------------Solution composition------------------------------ + + Elements Molality Moles + + Al 9.322e-12 9.322e-12 + Br 2.856e-07 2.856e-07 + Li 3.506e-14 3.506e-14 + Na 9.322e-12 9.322e-12 + Si 2.797e-11 2.797e-11 + +----------------------------Description of solution---------------------------- + + pH = 6.500 Charge balance + pe = 11.424 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 0 + Density (g/cm³) = 0.99704 + Volume (L) = 1.00297 + Viscosity (mPa s) = 0.89002 + Activity of water = 1.000 + Ionic strength (mol/kgw) = 3.171e-07 + Mass of water (kg) = 1.000e+00 + Total alkalinity (eq/kg) = -2.844e-07 + Temperature (°C) = 25.00 + Electrical balance (eq) = -1.217e-09 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.19 + Iterations = 14 + 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 + + H+ 3.164e-07 3.162e-07 -6.500 -6.500 -0.000 0.00 + OH- 3.203e-08 3.201e-08 -7.494 -7.495 -0.000 -4.14 + H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07 +Al 9.322e-12 + Al(OH)4- 6.042e-12 6.038e-12 -11.219 -11.219 -0.000 (0) + Al(OH)2+ 2.176e-12 2.174e-12 -11.662 -11.663 -0.000 (0) + Al(OH)3 1.013e-12 1.013e-12 -11.994 -11.994 0.000 (0) + AlOH+2 8.796e-14 8.773e-14 -13.056 -13.057 -0.001 -27.87 + Al+3 2.810e-15 2.793e-15 -14.551 -14.554 -0.003 -42.53 +Br 2.856e-07 + Br- 2.856e-07 2.854e-07 -6.544 -6.544 -0.000 24.53 +H(0) 2.009e-39 + H2 1.005e-39 1.005e-39 -38.998 -38.998 0.000 28.61 +Li 3.506e-14 + Li+ 3.506e-14 3.503e-14 -13.455 -13.456 -0.000 -1.44 +Na 9.322e-12 + Na+ 9.322e-12 9.316e-12 -11.031 -11.031 -0.000 -1.52 + NaOH 2.982e-29 2.982e-29 -28.526 -28.526 0.000 (0) +O(0) 8.261e-15 + O2 4.131e-15 4.131e-15 -14.384 -14.384 0.000 30.40 +Si 2.797e-11 + H4SiO4 2.795e-11 2.795e-11 -10.554 -10.554 0.000 52.08 + H3SiO4- 1.304e-14 1.303e-14 -13.885 -13.885 -0.000 27.94 + H2SiO4-2 2.811e-21 2.804e-21 -20.551 -20.552 -0.001 (0) + +------------------------------Saturation indices------------------------------- + + Phase SI** log IAP log K(298 K, 1 atm) + + Al(OH)3(a) -5.85 4.95 10.80 Al(OH)3 + Albite -35.91 -53.91 -18.00 NaAlSi3O8 + Chalcedony -7.00 -10.55 -3.55 SiO2 + Fix_pH -6.50 -6.50 0.00 H+ + Gibbsite -3.16 4.95 8.11 Al(OH)3 + H2(g) -35.90 -39.00 -3.10 H2 + H2O(g) -1.50 -0.00 1.50 H2O + Kaolinite -18.65 -11.22 7.43 Al2Si2O5(OH)4 + LiBr 0.00 -20.00 -20.00 LiBr + O2(g) -11.49 -14.38 -2.89 O2 + Quartz -6.57 -10.55 -3.98 SiO2 + SiO2(a) -7.84 -10.55 -2.71 SiO2 + +**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. + For ideal gases, phi = 1. + +------------------ +End of simulation. +------------------ + +------------------------------------- +Reading input data for simulation 77. +------------------------------------- + + USE solution 1 + EQUILIBRIUM_PHASES 1 + LiBr + Fix_pH -7 LiOH 10 + USE kinetics 1 + END +----------------------------------------- +Beginning of batch-reaction calculations. +----------------------------------------- + +Reaction step 1. + +Using solution 1. +Using pure phase assemblage 1. +Using kinetics 1. + +Kinetics 1. + + Time step: 1 seconds + + Rate name Delta Moles Total Moles Reactant Coefficient + + Albite_Hermanska -1.012e-11 1.000e+00 NaAlSi3O8 1 + +-------------------------------Phase assemblage-------------------------------- + + Moles in assemblage +Phase SI log IAP log K(T, P) Initial Final Delta + +Fix_pH -7.00 -7.00 0.00 + LiOH is reactant 1.000e+01 1.000e+01 1.338e-12 +LiBr 0.00 -20.00 -20.00 1.000e+01 1.000e+01 -1.007e-10 + +-----------------------------Solution composition------------------------------ + + Elements Molality Moles + + Al 1.012e-11 1.012e-11 + Br 1.007e-10 1.007e-10 + Li 9.937e-11 9.937e-11 + Na 1.012e-11 1.012e-11 + Si 3.037e-11 3.037e-11 + +----------------------------Description of solution---------------------------- + + pH = 7.000 Charge balance + pe = 11.474 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 0 + Density (g/cm³) = 0.99704 + Volume (L) = 1.00297 + Viscosity (mPa s) = 0.89002 + Activity of water = 1.000 + Ionic strength (mol/kgw) = 1.008e-07 + Mass of water (kg) = 1.000e+00 + Total alkalinity (eq/kg) = 1.256e-09 + Temperature (°C) = 25.00 + Electrical balance (eq) = -1.217e-09 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.60 + Iterations = 12 + 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- 1.013e-07 1.012e-07 -6.995 -6.995 -0.000 -4.14 + H+ 1.000e-07 1.000e-07 -7.000 -7.000 -0.000 0.00 + H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07 +Al 1.012e-11 + Al(OH)4- 9.290e-12 9.287e-12 -11.032 -11.032 -0.000 (0) + Al(OH)3 4.927e-13 4.927e-13 -12.307 -12.307 0.000 (0) + Al(OH)2+ 3.345e-13 3.344e-13 -12.476 -12.476 -0.000 (0) + AlOH+2 4.273e-15 4.267e-15 -14.369 -14.370 -0.001 -27.87 + Al+3 4.310e-17 4.295e-17 -16.366 -16.367 -0.001 -42.53 +Br 1.007e-10 + Br- 1.007e-10 1.007e-10 -9.997 -9.997 -0.000 24.53 +H(0) 0.000e+00 + H2 0.000e+00 0.000e+00 -40.098 -40.098 0.000 28.61 +Li 9.937e-11 + Li+ 9.937e-11 9.933e-11 -10.003 -10.003 -0.000 -1.44 +Na 1.012e-11 + Na+ 1.012e-11 1.012e-11 -10.995 -10.995 -0.000 -1.52 + NaOH 1.024e-28 1.024e-28 -27.990 -27.990 0.000 (0) +O(0) 1.309e-12 + O2 6.546e-13 6.546e-13 -12.184 -12.184 0.000 30.40 +Si 3.037e-11 + H4SiO4 3.032e-11 3.032e-11 -10.518 -10.518 0.000 52.08 + H3SiO4- 4.472e-14 4.471e-14 -13.349 -13.350 -0.000 27.94 + H2SiO4-2 3.046e-20 3.041e-20 -19.516 -19.517 -0.001 (0) + +------------------------------Saturation indices------------------------------- + + Phase SI** log IAP log K(298 K, 1 atm) + + Al(OH)3(a) -6.17 4.63 10.80 Al(OH)3 + Albite -35.58 -53.58 -18.00 NaAlSi3O8 + Chalcedony -6.97 -10.52 -3.55 SiO2 + Fix_pH -7.00 -7.00 0.00 H+ + Gibbsite -3.48 4.63 8.11 Al(OH)3 + H2(g) -37.00 -40.10 -3.10 H2 + H2O(g) -1.50 -0.00 1.50 H2O + Kaolinite -19.21 -11.77 7.43 Al2Si2O5(OH)4 + LiBr 0.00 -20.00 -20.00 LiBr + O2(g) -9.29 -12.18 -2.89 O2 + Quartz -6.54 -10.52 -3.98 SiO2 + SiO2(a) -7.81 -10.52 -2.71 SiO2 + +**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. + For ideal gases, phi = 1. + +------------------ +End of simulation. +------------------ + +------------------------------------- +Reading input data for simulation 78. +------------------------------------- + + USE solution 1 + EQUILIBRIUM_PHASES 1 + LiBr + Fix_pH -7.5000e+00 LiOH 10 + USE kinetics 1 + END +----------------------------------------- +Beginning of batch-reaction calculations. +----------------------------------------- + +Reaction step 1. + +Using solution 1. +Using pure phase assemblage 1. +Using kinetics 1. + +Kinetics 1. + + Time step: 1 seconds + + Rate name Delta Moles Total Moles Reactant Coefficient + + Albite_Hermanska -1.136e-11 1.000e+00 NaAlSi3O8 1 + +-------------------------------Phase assemblage-------------------------------- + + Moles in assemblage +Phase SI log IAP log K(T, P) Initial Final Delta + +Fix_pH -7.50 -7.50 0.00 + LiOH is reactant 1.000e+01 1.000e+01 -2.874e-07 +LiBr 0.00 -20.00 -20.00 1.000e+01 1.000e+01 -3.197e-14 + +-----------------------------Solution composition------------------------------ + + Elements Molality Moles + + Al 1.136e-11 1.136e-11 + Br 3.484e-14 3.484e-14 + Li 2.874e-07 2.874e-07 + Na 1.136e-11 1.136e-11 + Si 3.409e-11 3.409e-11 + +----------------------------Description of solution---------------------------- + + pH = 7.500 Charge balance + pe = 10.618 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 0 + Density (g/cm³) = 0.99704 + Volume (L) = 1.00297 + Viscosity (mPa s) = 0.89003 + Activity of water = 1.000 + Ionic strength (mol/kgw) = 3.197e-07 + Mass of water (kg) = 1.000e+00 + Total alkalinity (eq/kg) = 2.887e-07 + Temperature (°C) = 25.00 + Electrical balance (eq) = -1.217e-09 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.19 + Iterations = 16 + 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- 3.203e-07 3.201e-07 -6.494 -6.495 -0.000 -4.14 + H+ 3.164e-08 3.162e-08 -7.500 -7.500 -0.000 0.00 + H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07 +Al 1.136e-11 + Al(OH)4- 1.114e-11 1.113e-11 -10.953 -10.954 -0.000 (0) + Al(OH)3 1.867e-13 1.867e-13 -12.729 -12.729 0.000 (0) + Al(OH)2+ 4.010e-14 4.008e-14 -13.397 -13.397 -0.000 (0) + AlOH+2 1.621e-16 1.617e-16 -15.790 -15.791 -0.001 -27.87 + Al+3 5.178e-19 5.148e-19 -18.286 -18.288 -0.003 -42.53 +Br 3.484e-14 + Br- 3.484e-14 3.481e-14 -13.458 -13.458 -0.000 24.53 +H(0) 8.232e-40 + H2 4.116e-40 4.116e-40 -39.386 -39.386 0.000 28.61 +Li 2.874e-07 + Li+ 2.874e-07 2.872e-07 -6.541 -6.542 -0.000 -1.44 +Na 1.136e-11 + Na+ 1.136e-11 1.136e-11 -10.944 -10.945 -0.000 -1.52 + NaOH 3.635e-28 3.635e-28 -27.440 -27.440 0.000 (0) +O(0) 4.922e-14 + O2 2.461e-14 2.461e-14 -13.609 -13.609 0.000 30.40 +Si 3.409e-11 + H4SiO4 3.393e-11 3.393e-11 -10.469 -10.469 0.000 52.08 + H3SiO4- 1.583e-13 1.582e-13 -12.800 -12.801 -0.000 27.94 + H2SiO4-2 3.412e-19 3.403e-19 -18.467 -18.468 -0.001 (0) + +------------------------------Saturation indices------------------------------- + + Phase SI** log IAP log K(298 K, 1 atm) + + Al(OH)3(a) -6.59 4.21 10.80 Al(OH)3 + Albite -35.30 -53.31 -18.00 NaAlSi3O8 + Chalcedony -6.92 -10.47 -3.55 SiO2 + Fix_pH -7.50 -7.50 0.00 H+ + Gibbsite -3.90 4.21 8.11 Al(OH)3 + H2(g) -36.28 -39.39 -3.10 H2 + H2O(g) -1.50 -0.00 1.50 H2O + Kaolinite -19.95 -12.52 7.43 Al2Si2O5(OH)4 + LiBr 0.00 -20.00 -20.00 LiBr + O2(g) -10.72 -13.61 -2.89 O2 + Quartz -6.49 -10.47 -3.98 SiO2 + SiO2(a) -7.76 -10.47 -2.71 SiO2 + +**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. + For ideal gases, phi = 1. + +------------------ +End of simulation. +------------------ + +------------------------------------- +Reading input data for simulation 79. +------------------------------------- + + USE solution 1 + EQUILIBRIUM_PHASES 1 + LiBr + Fix_pH -8 LiOH 10 + USE kinetics 1 + END +----------------------------------------- +Beginning of batch-reaction calculations. +----------------------------------------- + +Reaction step 1. + +Using solution 1. +Using pure phase assemblage 1. +Using kinetics 1. + +Kinetics 1. + + Time step: 1 seconds + + Rate name Delta Moles Total Moles Reactant Coefficient + + Albite_Hermanska -1.320e-11 1.000e+00 NaAlSi3O8 1 + +-------------------------------Phase assemblage-------------------------------- + + Moles in assemblage +Phase SI log IAP log K(T, P) Initial Final Delta + +Fix_pH -8.00 -8.00 0.00 + LiOH is reactant 1.000e+01 1.000e+01 -1.002e-06 +LiBr 0.00 -20.00 -20.00 1.000e+01 1.000e+01 -8.882e-15 + +-----------------------------Solution composition------------------------------ + + Elements Molality Moles + + Al 1.320e-11 1.320e-11 + Br 1.000e-14 1.000e-14 + Li 1.002e-06 1.002e-06 + Na 1.320e-11 1.320e-11 + Si 3.959e-11 3.959e-11 + +----------------------------Description of solution---------------------------- + + pH = 8.000 Charge balance + pe = 9.888 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 0 + Density (g/cm³) = 0.99704 + Volume (L) = 1.00297 + Viscosity (mPa s) = 0.89003 + Activity of water = 1.000 + Ionic strength (mol/kgw) = 1.013e-06 + Mass of water (kg) = 1.000e+00 + Total alkalinity (eq/kg) = 1.003e-06 + Temperature (°C) = 25.00 + Electrical balance (eq) = -1.217e-09 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.06 + Iterations = 13 + 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- 1.013e-06 1.012e-06 -5.994 -5.995 -0.001 -4.14 + H+ 1.001e-08 1.000e-08 -7.999 -8.000 -0.001 0.00 + H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07 +Al 1.320e-11 + Al(OH)4- 1.312e-11 1.311e-11 -10.882 -10.883 -0.001 (0) + Al(OH)3 6.954e-14 6.954e-14 -13.158 -13.158 0.000 (0) + Al(OH)2+ 4.725e-15 4.720e-15 -14.326 -14.326 -0.001 (0) + AlOH+2 6.050e-18 6.022e-18 -17.218 -17.220 -0.002 -27.87 + Al+3 6.127e-21 6.062e-21 -20.213 -20.217 -0.005 -42.53 +Br 1.000e-14 + Br- 1.000e-14 9.991e-15 -14.000 -14.000 -0.001 24.53 +H(0) 2.377e-39 + H2 1.188e-39 1.188e-39 -38.925 -38.925 0.000 28.61 +Li 1.002e-06 + Li+ 1.002e-06 1.001e-06 -5.999 -6.000 -0.001 -1.44 +Na 1.320e-11 + Na+ 1.320e-11 1.318e-11 -10.880 -10.880 -0.001 -1.52 + NaOH 1.334e-27 1.334e-27 -26.875 -26.875 0.000 (0) +O(0) 5.903e-15 + O2 2.952e-15 2.952e-15 -14.530 -14.530 0.000 30.40 +Si 3.959e-11 + H4SiO4 3.901e-11 3.901e-11 -10.409 -10.409 0.000 52.08 + H3SiO4- 5.759e-13 5.752e-13 -12.240 -12.240 -0.001 27.94 + H2SiO4-2 3.931e-18 3.913e-18 -17.405 -17.407 -0.002 (0) + +------------------------------Saturation indices------------------------------- + + Phase SI** log IAP log K(298 K, 1 atm) + + Al(OH)3(a) -7.02 3.78 10.80 Al(OH)3 + Albite -34.99 -52.99 -18.00 NaAlSi3O8 + Chalcedony -6.86 -10.41 -3.55 SiO2 + Fix_pH -8.00 -8.00 0.00 H+ + Gibbsite -4.33 3.78 8.11 Al(OH)3 + H2(g) -35.82 -38.93 -3.10 H2 + H2O(g) -1.50 -0.00 1.50 H2O + Kaolinite -20.69 -13.25 7.43 Al2Si2O5(OH)4 + LiBr 0.00 -20.00 -20.00 LiBr + O2(g) -11.64 -14.53 -2.89 O2 + Quartz -6.43 -10.41 -3.98 SiO2 + SiO2(a) -7.70 -10.41 -2.71 SiO2 + +**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. + For ideal gases, phi = 1. + +------------------ +End of simulation. +------------------ + +------------------------------------- +Reading input data for simulation 80. +------------------------------------- + + USE solution 1 + EQUILIBRIUM_PHASES 1 + LiBr + Fix_pH -8.5000e+00 LiOH 10 + USE kinetics 1 + END +----------------------------------------- +Beginning of batch-reaction calculations. +----------------------------------------- + +Reaction step 1. + +Using solution 1. +Using pure phase assemblage 1. +Using kinetics 1. + +Kinetics 1. + + Time step: 1 seconds + + Rate name Delta Moles Total Moles Reactant Coefficient + + Albite_Hermanska -1.584e-11 1.000e+00 NaAlSi3O8 1 + +-------------------------------Phase assemblage-------------------------------- + + Moles in assemblage +Phase SI log IAP log K(T, P) Initial Final Delta + +Fix_pH -8.50 -8.50 0.00 + LiOH is reactant 1.000e+01 1.000e+01 -3.203e-06 +LiBr 0.00 -20.00 -20.00 1.000e+01 1.000e+01 -1.776e-15 + +-----------------------------Solution composition------------------------------ + + Elements Molality Moles + + Al 1.584e-11 1.584e-11 + Br 3.135e-15 3.135e-15 + Li 3.203e-06 3.203e-06 + Na 1.584e-11 1.584e-11 + Si 4.752e-11 4.752e-11 + +----------------------------Description of solution---------------------------- + + pH = 8.500 Charge balance + pe = 9.199 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 0 + Density (g/cm³) = 0.99704 + Volume (L) = 1.00297 + Viscosity (mPa s) = 0.89003 + Activity of water = 1.000 + Ionic strength (mol/kgw) = 3.207e-06 + Mass of water (kg) = 1.000e+00 + Total alkalinity (eq/kg) = 3.204e-06 + Temperature (°C) = 25.00 + Electrical balance (eq) = -1.217e-09 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.02 + Iterations = 15 + 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- 3.207e-06 3.201e-06 -5.494 -5.495 -0.001 -4.14 + H+ 3.169e-09 3.162e-09 -8.499 -8.500 -0.001 0.00 + H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07 +Al 1.584e-11 + Al(OH)4- 1.581e-11 1.578e-11 -10.801 -10.802 -0.001 (0) + Al(OH)3 2.648e-14 2.648e-14 -13.577 -13.577 0.000 (0) + Al(OH)2+ 5.694e-16 5.682e-16 -15.245 -15.245 -0.001 (0) + AlOH+2 2.312e-19 2.293e-19 -18.636 -18.640 -0.004 -27.87 + Al+3 7.438e-23 7.299e-23 -22.129 -22.137 -0.008 -42.52 +Br 3.135e-15 + Br- 3.135e-15 3.129e-15 -14.504 -14.505 -0.001 24.53 +H(0) 5.653e-39 + H2 2.826e-39 2.826e-39 -38.549 -38.549 0.000 28.61 +Li 3.203e-06 + Li+ 3.203e-06 3.196e-06 -5.494 -5.495 -0.001 -1.44 +Na 1.584e-11 + Na+ 1.584e-11 1.581e-11 -10.800 -10.801 -0.001 -1.52 + NaOH 5.059e-27 5.059e-27 -26.296 -26.296 0.000 (0) +O(0) 1.044e-15 + O2 5.219e-16 5.219e-16 -15.282 -15.282 0.000 30.40 +Si 4.752e-11 + H4SiO4 4.540e-11 4.540e-11 -10.343 -10.343 0.000 52.08 + H3SiO4- 2.121e-12 2.117e-12 -11.673 -11.674 -0.001 27.95 + H2SiO4-2 4.592e-17 4.554e-17 -16.338 -16.342 -0.004 (0) + +------------------------------Saturation indices------------------------------- + + Phase SI** log IAP log K(298 K, 1 atm) + + Al(OH)3(a) -7.44 3.36 10.80 Al(OH)3 + Albite -34.63 -52.63 -18.00 NaAlSi3O8 + Chalcedony -6.79 -10.34 -3.55 SiO2 + Fix_pH -8.50 -8.50 0.00 H+ + Gibbsite -4.75 3.36 8.11 Al(OH)3 + H2(g) -35.45 -38.55 -3.10 H2 + H2O(g) -1.50 -0.00 1.50 H2O + Kaolinite -21.39 -13.96 7.43 Al2Si2O5(OH)4 + LiBr 0.00 -20.00 -20.00 LiBr + O2(g) -12.39 -15.28 -2.89 O2 + Quartz -6.36 -10.34 -3.98 SiO2 + SiO2(a) -7.63 -10.34 -2.71 SiO2 + +**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. + For ideal gases, phi = 1. + +------------------ +End of simulation. +------------------ + +------------------------------------- +Reading input data for simulation 81. +------------------------------------- + + USE solution 1 + EQUILIBRIUM_PHASES 1 + LiBr + Fix_pH -9 LiOH 10 + USE kinetics 1 + END +----------------------------------------- +Beginning of batch-reaction calculations. +----------------------------------------- + +Reaction step 1. + +Using solution 1. +Using pure phase assemblage 1. +Using kinetics 1. + +Kinetics 1. + + Time step: 1 seconds + + Rate name Delta Moles Total Moles Reactant Coefficient + + Albite_Hermanska -1.962e-11 1.000e+00 NaAlSi3O8 1 + +-------------------------------Phase assemblage-------------------------------- + + Moles in assemblage +Phase SI log IAP log K(T, P) Initial Final Delta + +Fix_pH -9.00 -9.00 0.00 + LiOH is reactant 1.000e+01 1.000e+01 -1.016e-05 +LiBr 0.00 -20.00 -20.00 1.000e+01 1.000e+01 0.000e+00 + +-----------------------------Solution composition------------------------------ + + Elements Molality Moles + + Al 1.962e-11 1.962e-11 + Br 9.919e-16 9.919e-16 + Li 1.016e-05 1.016e-05 + Na 1.962e-11 1.962e-11 + Si 5.885e-11 5.885e-11 + +----------------------------Description of solution---------------------------- + + pH = 9.000 Charge balance + pe = 9.122 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 2 + Density (g/cm³) = 0.99704 + Volume (L) = 1.00297 + Viscosity (mPa s) = 0.89004 + Activity of water = 1.000 + Ionic strength (mol/kgw) = 1.016e-05 + Mass of water (kg) = 1.000e+00 + Total alkalinity (eq/kg) = 1.016e-05 + Temperature (°C) = 25.00 + Electrical balance (eq) = -1.217e-09 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.01 + Iterations = 16 + Total H = 1.110124e+02 + Total O = 5.550623e+01 + +----------------------------Distribution of species---------------------------- + + Log Log Log mole V + Species Molality Activity Molality Activity Gamma cm³/mol + + OH- 1.016e-05 1.012e-05 -4.993 -4.995 -0.002 -4.14 + H+ 1.004e-09 1.000e-09 -8.998 -9.000 -0.002 0.00 + H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07 +Al 1.962e-11 + Al(OH)4- 1.960e-11 1.953e-11 -10.708 -10.709 -0.002 (0) + Al(OH)3 1.036e-14 1.036e-14 -13.985 -13.985 0.000 (0) + Al(OH)2+ 7.060e-17 7.033e-17 -16.151 -16.153 -0.002 (0) + AlOH+2 9.109e-21 8.974e-21 -20.041 -20.047 -0.006 -27.86 + Al+3 9.341e-25 9.034e-25 -24.030 -24.044 -0.014 -42.51 +Br 9.919e-16 + Br- 9.919e-16 9.882e-16 -15.004 -15.005 -0.002 24.53 +H(0) 8.090e-40 + H2 4.045e-40 4.045e-40 -39.393 -39.393 0.000 28.61 +Li 1.016e-05 + Li+ 1.016e-05 1.012e-05 -4.993 -4.995 -0.002 -1.44 +Na 1.962e-11 + Na+ 1.962e-11 1.954e-11 -10.707 -10.709 -0.002 -1.52 + NaOH 1.978e-26 1.978e-26 -25.704 -25.704 0.000 (0) +O(0) 5.096e-14 + O2 2.548e-14 2.548e-14 -13.594 -13.594 0.000 30.40 +Si 5.885e-11 + H4SiO4 5.126e-11 5.126e-11 -10.290 -10.290 0.000 52.08 + H3SiO4- 7.586e-12 7.558e-12 -11.120 -11.122 -0.002 27.95 + H2SiO4-2 5.218e-16 5.141e-16 -15.282 -15.289 -0.006 (0) + +------------------------------Saturation indices------------------------------- + + Phase SI** log IAP log K(298 K, 1 atm) + + Al(OH)3(a) -7.84 2.96 10.80 Al(OH)3 + Albite -34.29 -52.29 -18.00 NaAlSi3O8 + Chalcedony -6.74 -10.29 -3.55 SiO2 + Fix_pH -9.00 -9.00 0.00 H+ + Gibbsite -5.15 2.96 8.11 Al(OH)3 + H2(g) -36.29 -39.39 -3.10 H2 + H2O(g) -1.50 -0.00 1.50 H2O + Kaolinite -22.10 -14.67 7.43 Al2Si2O5(OH)4 + LiBr 0.00 -20.00 -20.00 LiBr + O2(g) -10.70 -13.59 -2.89 O2 + Quartz -6.31 -10.29 -3.98 SiO2 + SiO2(a) -7.58 -10.29 -2.71 SiO2 + +**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. + For ideal gases, phi = 1. + +------------------ +End of simulation. +------------------ + +------------------------------------- +Reading input data for simulation 82. +------------------------------------- + + USE solution 1 + EQUILIBRIUM_PHASES 1 + LiBr + Fix_pH -9.5000e+00 LiOH 10 + USE kinetics 1 + END +----------------------------------------- +Beginning of batch-reaction calculations. +----------------------------------------- + +Reaction step 1. + +Using solution 1. +Using pure phase assemblage 1. +Using kinetics 1. + +Kinetics 1. + + Time step: 1 seconds + + Rate name Delta Moles Total Moles Reactant Coefficient + + Albite_Hermanska -2.498e-11 1.000e+00 NaAlSi3O8 1 + +-------------------------------Phase assemblage-------------------------------- + + Moles in assemblage +Phase SI log IAP log K(T, P) Initial Final Delta + +Fix_pH -9.50 -9.50 0.00 + LiOH is reactant 1.000e+01 1.000e+01 -3.222e-05 +LiBr 0.00 -20.00 -20.00 1.000e+01 1.000e+01 1.776e-15 + +-----------------------------Solution composition------------------------------ + + Elements Molality Moles + + Al 2.498e-11 2.498e-11 + Br 3.145e-16 3.145e-16 + Li 3.222e-05 3.222e-05 + Na 2.498e-11 2.498e-11 + Si 7.493e-11 7.493e-11 + +----------------------------Description of solution---------------------------- + + pH = 9.500 Charge balance + pe = 8.556 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 7 + Density (g/cm³) = 0.99704 + Volume (L) = 1.00297 + Viscosity (mPa s) = 0.89005 + Activity of water = 1.000 + Ionic strength (mol/kgw) = 3.222e-05 + Mass of water (kg) = 1.000e+00 + Total alkalinity (eq/kg) = 3.222e-05 + Temperature (°C) = 25.00 + Electrical balance (eq) = -1.216e-09 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Iterations = 15 + Total H = 1.110125e+02 + Total O = 5.550625e+01 + +----------------------------Distribution of species---------------------------- + + Log Log Log mole V + Species Molality Activity Molality Activity Gamma cm³/mol + + OH- 3.222e-05 3.201e-05 -4.492 -4.495 -0.003 -4.13 + H+ 3.183e-10 3.162e-10 -9.497 -9.500 -0.003 0.00 + H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07 +Al 2.498e-11 + Al(OH)4- 2.497e-11 2.481e-11 -10.603 -10.605 -0.003 (0) + Al(OH)3 4.162e-15 4.162e-15 -14.381 -14.381 0.000 (0) + Al(OH)2+ 8.992e-18 8.933e-18 -17.046 -17.049 -0.003 (0) + AlOH+2 3.701e-22 3.604e-22 -21.432 -21.443 -0.011 -27.85 + Al+3 1.217e-26 1.147e-26 -25.915 -25.940 -0.026 -42.49 +Br 3.145e-16 + Br- 3.145e-16 3.124e-16 -15.502 -15.505 -0.003 24.53 +H(0) 1.094e-39 + H2 5.468e-40 5.468e-40 -39.262 -39.262 0.000 28.61 +Li 3.222e-05 + Li+ 3.222e-05 3.201e-05 -4.492 -4.495 -0.003 -1.43 +Na 2.498e-11 + Na+ 2.498e-11 2.481e-11 -10.602 -10.605 -0.003 -1.51 + NaOH 7.941e-26 7.941e-26 -25.100 -25.100 0.000 (0) +O(0) 2.789e-14 + O2 1.394e-14 1.394e-14 -13.856 -13.856 0.000 30.40 +Si 7.493e-11 + H4SiO4 5.099e-11 5.099e-11 -10.293 -10.293 0.000 52.08 + H3SiO4- 2.393e-11 2.377e-11 -10.621 -10.624 -0.003 27.95 + H2SiO4-2 5.251e-15 5.114e-15 -14.280 -14.291 -0.011 (0) + +------------------------------Saturation indices------------------------------- + + Phase SI** log IAP log K(298 K, 1 atm) + + Al(OH)3(a) -8.24 2.56 10.80 Al(OH)3 + Albite -34.09 -52.09 -18.00 NaAlSi3O8 + Chalcedony -6.74 -10.29 -3.55 SiO2 + Fix_pH -9.50 -9.50 0.00 H+ + Gibbsite -5.55 2.56 8.11 Al(OH)3 + H2(g) -36.16 -39.26 -3.10 H2 + H2O(g) -1.50 -0.00 1.50 H2O + Kaolinite -22.90 -15.47 7.43 Al2Si2O5(OH)4 + LiBr 0.00 -20.00 -20.00 LiBr + O2(g) -10.96 -13.86 -2.89 O2 + Quartz -6.31 -10.29 -3.98 SiO2 + SiO2(a) -7.58 -10.29 -2.71 SiO2 + +**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. + For ideal gases, phi = 1. + +------------------ +End of simulation. +------------------ + +------------------------------------- +Reading input data for simulation 83. +------------------------------------- + + USE solution 1 + EQUILIBRIUM_PHASES 1 + LiBr + Fix_pH -10 LiOH 10 + USE kinetics 1 + END +----------------------------------------- +Beginning of batch-reaction calculations. +----------------------------------------- + +Reaction step 1. + +Using solution 1. +Using pure phase assemblage 1. +Using kinetics 1. + +Kinetics 1. + + Time step: 1 seconds + + Rate name Delta Moles Total Moles Reactant Coefficient + + Albite_Hermanska -3.257e-11 1.000e+00 NaAlSi3O8 1 + +-------------------------------Phase assemblage-------------------------------- + + Moles in assemblage +Phase SI log IAP log K(T, P) Initial Final Delta + +Fix_pH -10.00 -10.00 0.00 + LiOH is reactant 1.000e+01 1.000e+01 -1.024e-04 +LiBr 0.00 -20.00 -20.00 1.000e+01 1.000e+01 1.776e-15 + +-----------------------------Solution composition------------------------------ + + Elements Molality Moles + + Al 3.257e-11 3.257e-11 + Br 9.996e-17 9.996e-17 + Li 1.024e-04 1.024e-04 + Na 3.257e-11 3.257e-11 + Si 9.770e-11 9.770e-11 + +----------------------------Description of solution---------------------------- + + pH = 10.000 Charge balance + pe = 7.877 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 23 + Density (g/cm³) = 0.99705 + Volume (L) = 1.00297 + Viscosity (mPa s) = 0.89009 + Activity of water = 1.000 + Ionic strength (mol/kgw) = 1.024e-04 + Mass of water (kg) = 1.000e+00 + Total alkalinity (eq/kg) = 1.024e-04 + Temperature (°C) = 25.00 + Electrical balance (eq) = -1.216e-09 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Iterations = 16 + Total H = 1.110125e+02 + Total O = 5.550632e+01 + +----------------------------Distribution of species---------------------------- + + Log Log Log mole V + Species Molality Activity Molality Activity Gamma cm³/mol + + OH- 1.024e-04 1.012e-04 -3.990 -3.995 -0.005 -4.13 + H+ 1.012e-10 1.000e-10 -9.995 -10.000 -0.005 0.00 + H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07 +Al 3.257e-11 + Al(OH)4- 3.256e-11 3.219e-11 -10.487 -10.492 -0.005 (0) + Al(OH)3 1.708e-15 1.708e-15 -14.768 -14.768 0.000 (0) + Al(OH)2+ 1.173e-18 1.159e-18 -17.931 -17.936 -0.005 (0) + AlOH+2 1.549e-23 1.479e-23 -22.810 -22.830 -0.020 -27.84 + Al+3 1.652e-28 1.489e-28 -27.782 -27.827 -0.045 -42.45 +Br 9.996e-17 + Br- 9.996e-17 9.879e-17 -16.000 -16.005 -0.005 24.54 +H(0) 2.497e-39 + H2 1.249e-39 1.249e-39 -38.904 -38.904 0.000 28.61 +Li 1.024e-04 + Li+ 1.024e-04 1.012e-04 -3.990 -3.995 -0.005 -1.43 +Na 3.257e-11 + Na+ 3.257e-11 3.219e-11 -10.487 -10.492 -0.005 -1.51 + NaOH 3.258e-25 3.258e-25 -24.487 -24.487 0.000 (0) +O(0) 5.347e-15 + O2 2.674e-15 2.674e-15 -14.573 -14.573 0.000 30.40 +Si 9.770e-11 + H3SiO4- 5.847e-11 5.779e-11 -10.233 -10.238 -0.005 27.95 + H4SiO4 3.919e-11 3.919e-11 -10.407 -10.407 0.000 52.08 + H2SiO4-2 4.119e-14 3.931e-14 -13.385 -13.406 -0.020 (0) + +------------------------------Saturation indices------------------------------- + + Phase SI** log IAP log K(298 K, 1 atm) + + Al(OH)3(a) -8.63 2.17 10.80 Al(OH)3 + Albite -34.20 -52.21 -18.00 NaAlSi3O8 + Chalcedony -6.86 -10.41 -3.55 SiO2 + Fix_pH -10.00 -10.00 0.00 H+ + Gibbsite -5.94 2.17 8.11 Al(OH)3 + H2(g) -35.80 -38.90 -3.10 H2 + H2O(g) -1.50 -0.00 1.50 H2O + Kaolinite -23.90 -16.47 7.43 Al2Si2O5(OH)4 + LiBr 0.00 -20.00 -20.00 LiBr + O2(g) -11.68 -14.57 -2.89 O2 + Quartz -6.43 -10.41 -3.98 SiO2 + SiO2(a) -7.70 -10.41 -2.71 SiO2 + +**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. + For ideal gases, phi = 1. + +------------------ +End of simulation. +------------------ + +------------------------------------- +Reading input data for simulation 84. +------------------------------------- + + USE solution 1 + EQUILIBRIUM_PHASES 1 + LiBr + Fix_pH -1.0500e+01 LiOH 10 + USE kinetics 1 + END +----------------------------------------- +Beginning of batch-reaction calculations. +----------------------------------------- + +Reaction step 1. + +Using solution 1. +Using pure phase assemblage 1. +Using kinetics 1. + +Kinetics 1. + + Time step: 1 seconds + + Rate name Delta Moles Total Moles Reactant Coefficient + + Albite_Hermanska -4.330e-11 1.000e+00 NaAlSi3O8 1 + +-------------------------------Phase assemblage-------------------------------- + + Moles in assemblage +Phase SI log IAP log K(T, P) Initial Final Delta + +Fix_pH -10.50 -10.50 0.00 + LiOH is reactant 1.000e+01 1.000e+01 -3.268e-04 +LiBr 0.00 -20.00 -20.00 1.000e+01 1.000e+01 -1.776e-15 + +-----------------------------Solution composition------------------------------ + + Elements Molality Moles + + Al 4.330e-11 4.330e-11 + Br 3.189e-17 3.189e-17 + Li 3.268e-04 3.268e-04 + Na 4.330e-11 4.330e-11 + Si 1.299e-10 1.299e-10 + +----------------------------Description of solution---------------------------- + + pH = 10.500 Charge balance + pe = 7.731 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 76 + Density (g/cm³) = 0.99705 + Volume (L) = 1.00296 + Viscosity (mPa s) = 0.89018 + Activity of water = 1.000 + Ionic strength (mol/kgw) = 3.268e-04 + Mass of water (kg) = 1.000e+00 + Total alkalinity (eq/kg) = 3.268e-04 + Temperature (°C) = 25.00 + Electrical balance (eq) = -1.217e-09 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Iterations = 18 + Total H = 1.110128e+02 + Total O = 5.550654e+01 + +----------------------------Distribution of species---------------------------- + + Log Log Log mole V + Species Molality Activity Molality Activity Gamma cm³/mol + + OH- 3.268e-04 3.201e-04 -3.486 -3.495 -0.009 -4.12 + H+ 3.227e-11 3.162e-11 -10.491 -10.500 -0.009 0.00 + H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07 +Al 4.330e-11 + Al(OH)4- 4.330e-11 4.242e-11 -10.363 -10.372 -0.009 (0) + Al(OH)3 7.116e-16 7.117e-16 -15.148 -15.148 0.000 (0) + Al(OH)2+ 1.559e-19 1.527e-19 -18.807 -18.816 -0.009 (0) + AlOH+2 6.691e-25 6.163e-25 -24.174 -24.210 -0.036 -27.81 + Al+3 2.352e-30 1.962e-30 -29.629 -29.707 -0.079 -42.39 +Br 3.189e-17 + Br- 3.189e-17 3.123e-17 -16.496 -16.505 -0.009 24.55 +H(0) 4.893e-40 + H2 2.447e-40 2.447e-40 -39.611 -39.611 0.000 28.61 +Li 3.268e-04 + Li+ 3.268e-04 3.202e-04 -3.486 -3.495 -0.009 -1.42 +Na 4.330e-11 + Na+ 4.330e-11 4.242e-11 -10.363 -10.372 -0.009 -1.50 + NaOH 1.358e-24 1.358e-24 -23.867 -23.867 0.000 (0) +O(0) 1.392e-13 + O2 6.962e-14 6.963e-14 -13.157 -13.157 0.000 30.40 +Si 1.299e-10 + H3SiO4- 1.072e-10 1.050e-10 -9.970 -9.979 -0.009 27.96 + H4SiO4 2.251e-11 2.251e-11 -10.648 -10.648 0.000 52.08 + H2SiO4-2 2.451e-13 2.258e-13 -12.611 -12.646 -0.036 (0) + +------------------------------Saturation indices------------------------------- + + Phase SI** log IAP log K(298 K, 1 atm) + + Al(OH)3(a) -9.01 1.79 10.80 Al(OH)3 + Albite -34.69 -52.69 -18.00 NaAlSi3O8 + Chalcedony -7.10 -10.65 -3.55 SiO2 + Fix_pH -10.50 -10.50 0.00 H+ + Gibbsite -6.32 1.79 8.11 Al(OH)3 + H2(g) -36.51 -39.61 -3.10 H2 + H2O(g) -1.50 -0.00 1.50 H2O + Kaolinite -25.14 -17.71 7.43 Al2Si2O5(OH)4 + LiBr 0.00 -20.00 -20.00 LiBr + O2(g) -10.26 -13.16 -2.89 O2 + Quartz -6.67 -10.65 -3.98 SiO2 + SiO2(a) -7.94 -10.65 -2.71 SiO2 + +**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. + For ideal gases, phi = 1. + +------------------ +End of simulation. +------------------ + +------------------------------------- +Reading input data for simulation 85. +------------------------------------- + + USE solution 1 + EQUILIBRIUM_PHASES 1 + LiBr + Fix_pH -11 LiOH 10 + USE kinetics 1 + END +----------------------------------------- +Beginning of batch-reaction calculations. +----------------------------------------- + +Reaction step 1. + +Using solution 1. +Using pure phase assemblage 1. +Using kinetics 1. + +Kinetics 1. + + Time step: 1 seconds + + Rate name Delta Moles Total Moles Reactant Coefficient + + Albite_Hermanska -5.848e-11 1.000e+00 NaAlSi3O8 1 + +-------------------------------Phase assemblage-------------------------------- + + Moles in assemblage +Phase SI log IAP log K(T, P) Initial Final Delta + +Fix_pH -11.00 -11.00 0.00 + LiOH is reactant 1.000e+01 9.999e+00 -1.050e-03 +LiBr 0.00 -20.00 -20.00 1.000e+01 1.000e+01 1.776e-15 + +-----------------------------Solution composition------------------------------ + + Elements Molality Moles + + Al 5.848e-11 5.848e-11 + Br 1.024e-17 1.024e-17 + Li 1.050e-03 1.050e-03 + Na 5.848e-11 5.848e-11 + Si 1.754e-10 1.754e-10 + +----------------------------Description of solution---------------------------- + + pH = 11.000 Charge balance + pe = 6.797 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 243 + Density (g/cm³) = 0.99707 + Volume (L) = 1.00296 + Viscosity (mPa s) = 0.89043 + Activity of water = 1.000 + Ionic strength (mol/kgw) = 1.050e-03 + Mass of water (kg) = 1.000e+00 + Total alkalinity (eq/kg) = 1.050e-03 + Temperature (°C) = 25.00 + Electrical balance (eq) = -1.217e-09 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Iterations = 19 + Total H = 1.110135e+02 + Total O = 5.550727e+01 + +----------------------------Distribution of species---------------------------- + + Log Log Log mole V + Species Molality Activity Molality Activity Gamma cm³/mol + + OH- 1.050e-03 1.012e-03 -2.979 -2.995 -0.016 -4.11 + H+ 1.035e-11 1.000e-11 -10.985 -11.000 -0.015 0.00 + H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07 +Al 5.848e-11 + Al(OH)4- 5.848e-11 5.639e-11 -10.233 -10.249 -0.016 (0) + Al(OH)3 2.992e-16 2.992e-16 -15.524 -15.524 0.000 (0) + Al(OH)2+ 2.105e-20 2.031e-20 -19.677 -19.692 -0.016 (0) + AlOH+2 2.992e-26 2.591e-26 -25.524 -25.586 -0.063 -27.76 + Al+3 3.566e-32 2.609e-32 -31.448 -31.584 -0.136 -42.28 +Br 1.024e-17 + Br- 1.024e-17 9.871e-18 -16.990 -17.006 -0.016 24.56 +H(0) 3.599e-39 + H2 1.800e-39 1.800e-39 -38.745 -38.745 0.000 28.61 +Li 1.050e-03 + Li+ 1.050e-03 1.013e-03 -2.979 -2.994 -0.016 -1.41 +Na 5.848e-11 + Na+ 5.848e-11 5.640e-11 -10.233 -10.249 -0.016 -1.48 + NaOH 5.707e-24 5.708e-24 -23.244 -23.244 0.000 (0) +O(0) 2.572e-15 + O2 1.286e-15 1.286e-15 -14.891 -14.891 0.000 30.40 +Si 1.754e-10 + H3SiO4- 1.635e-10 1.577e-10 -9.786 -9.802 -0.016 27.97 + H4SiO4 1.069e-11 1.069e-11 -10.971 -10.971 0.000 52.08 + H2SiO4-2 1.238e-12 1.072e-12 -11.907 -11.970 -0.063 (0) + +------------------------------Saturation indices------------------------------- + + Phase SI** log IAP log K(298 K, 1 atm) + + Al(OH)3(a) -9.38 1.42 10.80 Al(OH)3 + Albite -35.41 -53.41 -18.00 NaAlSi3O8 + Chalcedony -7.42 -10.97 -3.55 SiO2 + Fix_pH -11.00 -11.00 0.00 H+ + Gibbsite -6.69 1.42 8.11 Al(OH)3 + H2(g) -35.64 -38.74 -3.10 H2 + H2O(g) -1.50 -0.00 1.50 H2O + Kaolinite -26.54 -19.11 7.43 Al2Si2O5(OH)4 + LiBr 0.00 -20.00 -20.00 LiBr + O2(g) -12.00 -14.89 -2.89 O2 + Quartz -6.99 -10.97 -3.98 SiO2 + SiO2(a) -8.26 -10.97 -2.71 SiO2 + +**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. + For ideal gases, phi = 1. + +------------------ +End of simulation. +------------------ + +------------------------------------- +Reading input data for simulation 86. +------------------------------------- + + USE solution 1 + EQUILIBRIUM_PHASES 1 + LiBr + Fix_pH -1.1500e+01 LiOH 10 + USE kinetics 1 + END +----------------------------------------- +Beginning of batch-reaction calculations. +----------------------------------------- + +Reaction step 1. + +Using solution 1. +Using pure phase assemblage 1. +Using kinetics 1. + +Kinetics 1. + + Time step: 1 seconds + + Rate name Delta Moles Total Moles Reactant Coefficient + + Albite_Hermanska -7.992e-11 1.000e+00 NaAlSi3O8 1 + +-------------------------------Phase assemblage-------------------------------- + + Moles in assemblage +Phase SI log IAP log K(T, P) Initial Final Delta + +Fix_pH -11.50 -11.50 0.00 + LiOH is reactant 1.000e+01 9.997e+00 -3.413e-03 +LiBr 0.00 -20.00 -20.00 1.000e+01 1.000e+01 0.000e+00 + +-----------------------------Solution composition------------------------------ + + Elements Molality Moles + + Al 7.992e-11 7.992e-11 + Br 3.325e-18 3.325e-18 + Li 3.413e-03 3.413e-03 + Na 7.992e-11 7.992e-11 + Si 2.398e-10 2.398e-10 + +----------------------------Description of solution---------------------------- + + pH = 11.500 Charge balance + pe = 6.617 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 781 + Density (g/cm³) = 0.99714 + Volume (L) = 1.00295 + Viscosity (mPa s) = 0.89117 + Activity of water = 1.000 + Ionic strength (mol/kgw) = 3.413e-03 + Mass of water (kg) = 1.000e+00 + Total alkalinity (eq/kg) = 3.413e-03 + Temperature (°C) = 25.00 + Electrical balance (eq) = -1.217e-09 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Iterations = 19 + Total H = 1.110158e+02 + Total O = 5.550963e+01 + +----------------------------Distribution of species---------------------------- + + Log Log Log mole V + Species Molality Activity Molality Activity Gamma cm³/mol + + OH- 3.413e-03 3.200e-03 -2.467 -2.495 -0.028 -4.08 + H+ 3.353e-12 3.162e-12 -11.475 -11.500 -0.025 0.00 + H2O 5.551e+01 9.999e-01 1.744 -0.000 0.000 18.07 +Al 7.992e-11 + Al(OH)4- 7.992e-11 7.503e-11 -10.097 -10.125 -0.027 (0) + Al(OH)3 1.258e-16 1.259e-16 -15.900 -15.900 0.000 (0) + Al(OH)2+ 2.876e-21 2.703e-21 -20.541 -20.568 -0.027 (0) + AlOH+2 1.398e-27 1.091e-27 -26.854 -26.962 -0.108 -27.67 + Al+3 5.878e-34 3.472e-34 -33.231 -33.459 -0.229 -42.11 +Br 3.325e-18 + Br- 3.325e-18 3.116e-18 -17.478 -17.506 -0.028 24.58 +H(0) 8.251e-40 + H2 4.125e-40 4.129e-40 -39.385 -39.384 0.000 28.61 +Li 3.413e-03 + Li+ 3.413e-03 3.209e-03 -2.467 -2.494 -0.027 -1.38 +Na 7.992e-11 + Na+ 7.992e-11 7.505e-11 -10.097 -10.125 -0.027 -1.44 + NaOH 2.400e-23 2.402e-23 -22.620 -22.619 0.000 (0) +O(0) 4.887e-14 + O2 2.443e-14 2.445e-14 -13.612 -13.612 0.000 30.40 +Si 2.398e-10 + H3SiO4- 2.292e-10 2.151e-10 -9.640 -9.667 -0.028 28.00 + H2SiO4-2 5.933e-12 4.627e-12 -11.227 -11.335 -0.108 (0) + H4SiO4 4.609e-12 4.613e-12 -11.336 -11.336 0.000 52.08 + +------------------------------Saturation indices------------------------------- + + Phase SI** log IAP log K(298 K, 1 atm) + + Al(OH)3(a) -9.76 1.04 10.80 Al(OH)3 + Albite -36.26 -54.26 -18.00 NaAlSi3O8 + Chalcedony -7.78 -11.34 -3.55 SiO2 + Fix_pH -11.50 -11.50 0.00 H+ + Gibbsite -7.07 1.04 8.11 Al(OH)3 + H2(g) -36.28 -39.38 -3.10 H2 + H2O(g) -1.50 -0.00 1.50 H2O + Kaolinite -28.03 -20.59 7.43 Al2Si2O5(OH)4 + LiBr 0.00 -20.00 -20.00 LiBr + O2(g) -10.72 -13.61 -2.89 O2 + Quartz -7.36 -11.34 -3.98 SiO2 + SiO2(a) -8.62 -11.34 -2.71 SiO2 + +**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. + For ideal gases, phi = 1. + +------------------ +End of simulation. +------------------ + +------------------------------------- +Reading input data for simulation 87. +------------------------------------- + + USE solution 1 + EQUILIBRIUM_PHASES 1 + LiBr + Fix_pH -12 LiOH 10 + USE kinetics 1 + END +----------------------------------------- +Beginning of batch-reaction calculations. +----------------------------------------- + +Reaction step 1. + +Using solution 1. +Using pure phase assemblage 1. +Using kinetics 1. + +Kinetics 1. + + Time step: 1 seconds + + Rate name Delta Moles Total Moles Reactant Coefficient + + Albite_Hermanska -1.102e-10 1.000e+00 NaAlSi3O8 1 + +-------------------------------Phase assemblage-------------------------------- + + Moles in assemblage +Phase SI log IAP log K(T, P) Initial Final Delta + +Fix_pH -12.00 -12.00 0.00 + LiOH is reactant 1.000e+01 9.989e+00 -1.131e-02 +LiBr 0.00 -20.00 -20.00 1.000e+01 1.000e+01 -1.776e-15 + +-----------------------------Solution composition------------------------------ + + Elements Molality Moles + + Al 1.102e-10 1.102e-10 + Br 1.098e-18 1.098e-18 + Li 1.131e-02 1.131e-02 + Na 1.102e-10 1.102e-10 + Si 3.307e-10 3.307e-10 + +----------------------------Description of solution---------------------------- + + pH = 12.000 Charge balance + pe = 5.995 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 2533 + Density (g/cm³) = 0.99737 + Volume (L) = 1.00291 + Viscosity (mPa s) = 0.89351 + Activity of water = 1.000 + Ionic strength (mol/kgw) = 1.131e-02 + Mass of water (kg) = 1.000e+00 + Total alkalinity (eq/kg) = 1.131e-02 + Temperature (°C) = 25.00 + Electrical balance (eq) = -1.219e-09 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Iterations = 18 + Total H = 1.110237e+02 + Total O = 5.551753e+01 + +----------------------------Distribution of species---------------------------- + + Log Log Log mole V + Species Molality Activity Molality Activity Gamma cm³/mol + + OH- 1.131e-02 1.012e-02 -1.947 -1.995 -0.048 -4.03 + H+ 1.100e-12 1.000e-12 -11.959 -12.000 -0.041 0.00 + H2O 5.551e+01 9.996e-01 1.744 -0.000 0.000 18.07 +Al 1.102e-10 + Al(OH)4- 1.102e-10 9.894e-11 -9.958 -10.005 -0.047 (0) + Al(OH)3 5.238e-17 5.252e-17 -16.281 -16.280 0.001 (0) + Al(OH)2+ 3.961e-22 3.566e-22 -21.402 -21.448 -0.046 (0) + AlOH+2 6.929e-29 4.551e-29 -28.159 -28.342 -0.183 -27.54 + Al+3 1.078e-35 4.584e-36 -34.967 -35.339 -0.371 -41.84 +Br 1.098e-18 + Br- 1.098e-18 9.805e-19 -17.959 -18.009 -0.049 24.63 +H(0) 1.443e-39 + H2 7.214e-40 7.232e-40 -39.142 -39.141 0.001 28.61 +Li 1.131e-02 + Li+ 1.131e-02 1.020e-02 -1.947 -1.991 -0.045 -1.34 +Na 1.102e-10 + Na+ 1.102e-10 9.902e-11 -9.958 -10.004 -0.047 -1.37 + NaOH 9.992e-23 1.002e-22 -22.000 -21.999 0.001 (0) +O(0) 1.589e-14 + O2 7.943e-15 7.964e-15 -14.100 -14.099 0.001 30.40 +Si 3.307e-10 + H3SiO4- 3.009e-10 2.697e-10 -9.522 -9.569 -0.048 28.04 + H2SiO4-2 2.793e-11 1.834e-11 -10.554 -10.737 -0.183 (0) + H4SiO4 1.824e-12 1.829e-12 -11.739 -11.738 0.001 52.08 + +------------------------------Saturation indices------------------------------- + + Phase SI** log IAP log K(298 K, 1 atm) + + Al(OH)3(a) -10.14 0.66 10.80 Al(OH)3 + Albite -37.22 -55.22 -18.00 NaAlSi3O8 + Chalcedony -8.19 -11.74 -3.55 SiO2 + Fix_pH -12.00 -12.00 0.00 H+ + Gibbsite -7.45 0.66 8.11 Al(OH)3 + H2(g) -36.04 -39.14 -3.10 H2 + H2O(g) -1.50 -0.00 1.50 H2O + Kaolinite -29.59 -22.15 7.43 Al2Si2O5(OH)4 + LiBr 0.00 -20.00 -20.00 LiBr + O2(g) -11.21 -14.10 -2.89 O2 + Quartz -7.76 -11.74 -3.98 SiO2 + SiO2(a) -9.03 -11.74 -2.71 SiO2 + +**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. + For ideal gases, phi = 1. + +------------------ +End of simulation. +------------------ + +------------------------------------- +Reading input data for simulation 88. +------------------------------------- + + USE solution 1 + EQUILIBRIUM_PHASES 1 + LiBr + Fix_pH -1.2500e+01 LiOH 10 + USE kinetics 1 + END +----------------------------------------- +Beginning of batch-reaction calculations. +----------------------------------------- + +Reaction step 1. + +Using solution 1. +Using pure phase assemblage 1. +Using kinetics 1. + +Kinetics 1. + + Time step: 1 seconds + + Rate name Delta Moles Total Moles Reactant Coefficient + + Albite_Hermanska -1.530e-10 1.000e+00 NaAlSi3O8 1 + +-------------------------------Phase assemblage-------------------------------- + + Moles in assemblage +Phase SI log IAP log K(T, P) Initial Final Delta + +Fix_pH -12.50 -12.50 0.00 + LiOH is reactant 1.000e+01 9.961e+00 -3.858e-02 +LiBr 0.00 -20.00 -20.00 1.000e+01 1.000e+01 0.000e+00 + +-----------------------------Solution composition------------------------------ + + Elements Molality Moles + + Al 1.530e-10 1.530e-10 + Br 3.713e-19 3.713e-19 + Li 3.858e-02 3.858e-02 + Na 1.530e-10 1.530e-10 + Si 4.590e-10 4.590e-10 + +----------------------------Description of solution---------------------------- + + pH = 12.500 Charge balance + pe = 5.370 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 8327 + Density (g/cm³) = 0.99816 + Volume (L) = 1.00277 + Viscosity (mPa s) = 0.90143 + Activity of water = 0.999 + Ionic strength (mol/kgw) = 3.858e-02 + Mass of water (kg) = 1.000e+00 + Total alkalinity (eq/kg) = 3.858e-02 + Temperature (°C) = 25.00 + Electrical balance (eq) = -1.227e-09 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Iterations = 20 + Total H = 1.110510e+02 + Total O = 5.554480e+01 + +----------------------------Distribution of species---------------------------- + + Log Log Log mole V + Species Molality Activity Molality Activity Gamma cm³/mol + + OH- 3.858e-02 3.197e-02 -1.414 -1.495 -0.082 -3.91 + H+ 3.659e-13 3.162e-13 -12.437 -12.500 -0.063 0.00 + H2O 5.551e+01 9.987e-01 1.744 -0.001 0.000 18.07 +Al 1.530e-10 + Al(OH)4- 1.530e-10 1.280e-10 -9.815 -9.893 -0.078 (0) + Al(OH)3 2.131e-17 2.150e-17 -16.671 -16.668 0.004 (0) + Al(OH)2+ 5.482e-23 4.620e-23 -22.261 -22.335 -0.074 (0) + AlOH+2 3.700e-30 1.867e-30 -29.432 -29.729 -0.297 -27.32 + Al+3 2.213e-37 5.950e-38 -36.655 -37.225 -0.570 -41.46 +Br 3.713e-19 + Br- 3.713e-19 3.061e-19 -18.430 -18.514 -0.084 24.71 +H(0) 2.550e-39 + H2 1.275e-39 1.286e-39 -38.895 -38.891 0.004 28.61 +Li 3.858e-02 + Li+ 3.858e-02 3.267e-02 -1.414 -1.486 -0.072 -1.26 +Na 1.530e-10 + Na+ 1.530e-10 1.284e-10 -9.815 -9.891 -0.076 -1.25 + NaOH 4.068e-22 4.105e-22 -21.391 -21.387 0.004 (0) +O(0) 4.982e-15 + O2 2.491e-15 2.513e-15 -14.604 -14.600 0.004 30.40 +Si 4.590e-10 + H3SiO4- 3.383e-10 2.817e-10 -9.471 -9.550 -0.080 28.13 + H2SiO4-2 1.201e-10 6.059e-11 -9.920 -10.218 -0.297 (0) + H4SiO4 5.987e-13 6.041e-13 -12.223 -12.219 0.004 52.08 + +------------------------------Saturation indices------------------------------- + + Phase SI** log IAP log K(298 K, 1 atm) + + Al(OH)3(a) -10.53 0.27 10.80 Al(OH)3 + Albite -38.43 -56.44 -18.00 NaAlSi3O8 + Chalcedony -8.67 -12.22 -3.55 SiO2 + Fix_pH -12.50 -12.50 0.00 H+ + Gibbsite -7.84 0.27 8.11 Al(OH)3 + H2(g) -35.79 -38.89 -3.10 H2 + H2O(g) -1.50 -0.00 1.50 H2O + Kaolinite -31.32 -23.89 7.43 Al2Si2O5(OH)4 + LiBr 0.00 -20.00 -20.00 LiBr + O2(g) -11.71 -14.60 -2.89 O2 + Quartz -8.24 -12.22 -3.98 SiO2 + SiO2(a) -9.51 -12.22 -2.71 SiO2 + +**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. + For ideal gases, phi = 1. + +------------------ +End of simulation. +------------------ + +------------------------------------- +Reading input data for simulation 89. +------------------------------------- + + USE solution 1 + EQUILIBRIUM_PHASES 1 + LiBr + Fix_pH -13 LiOH 10 + USE kinetics 1 + END +----------------------------------------- +Beginning of batch-reaction calculations. +----------------------------------------- + +Reaction step 1. + +Using solution 1. +Using pure phase assemblage 1. +Using kinetics 1. + +Kinetics 1. + + Time step: 1 seconds + + Rate name Delta Moles Total Moles Reactant Coefficient + + Albite_Hermanska -2.135e-10 1.000e+00 NaAlSi3O8 1 + +-------------------------------Phase assemblage-------------------------------- + + Moles in assemblage +Phase SI log IAP log K(T, P) Initial Final Delta + +Fix_pH -13.00 -13.00 0.00 + LiOH is reactant 1.000e+01 9.863e+00 -1.366e-01 +LiBr 0.00 -20.00 -20.00 1.000e+01 1.000e+01 1.776e-15 + +-----------------------------Solution composition------------------------------ + + Elements Molality Moles + + Al 2.135e-10 2.135e-10 + Br 1.293e-19 1.293e-19 + Li 1.366e-01 1.366e-01 + Na 2.135e-10 2.135e-10 + Si 6.404e-10 6.404e-10 + +----------------------------Description of solution---------------------------- + + pH = 13.000 Charge balance + pe = 4.314 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 27658 + Density (g/cm³) = 1.00095 + Volume (L) = 1.00232 + Viscosity (mPa s) = 0.93007 + Activity of water = 0.995 + Ionic strength (mol/kgw) = 1.366e-01 + Mass of water (kg) = 1.000e+00 + Total alkalinity (eq/kg) = 1.366e-01 + Temperature (°C) = 25.00 + Electrical balance (eq) = -1.207e-09 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Iterations = 24 + Total H = 1.111491e+02 + Total O = 5.564284e+01 + +----------------------------Distribution of species---------------------------- + + Log Log Log mole V + Species Molality Activity Molality Activity Gamma cm³/mol + + OH- 1.366e-01 1.007e-01 -0.864 -0.997 -0.132 -3.64 + H+ 1.230e-13 1.000e-13 -12.910 -13.000 -0.090 0.00 + H2O 5.551e+01 9.954e-01 1.744 -0.002 0.000 18.07 +Al 2.135e-10 + Al(OH)4- 2.135e-10 1.612e-10 -9.671 -9.793 -0.122 (0) + Al(OH)3 8.328e-18 8.594e-18 -17.079 -17.066 0.014 (0) + Al(OH)2+ 7.616e-24 5.860e-24 -23.118 -23.232 -0.114 (0) + AlOH+2 2.144e-31 7.512e-32 -30.669 -31.124 -0.455 -27.03 + Al+3 4.913e-39 7.597e-40 -38.309 -39.119 -0.811 -40.98 +Br 1.293e-19 + Br- 1.293e-19 9.409e-20 -18.888 -19.026 -0.138 24.86 +H(0) 3.234e-38 + H2 1.617e-38 1.668e-38 -37.791 -37.778 0.014 28.61 +Li 1.366e-01 + Li+ 1.366e-01 1.063e-01 -0.864 -0.974 -0.109 -1.10 +Na 2.135e-10 + Na+ 2.135e-10 1.639e-10 -9.671 -9.786 -0.115 -1.03 + NaOH 1.600e-21 1.651e-21 -20.796 -20.782 0.014 (0) +O(0) 2.875e-17 + O2 1.438e-17 1.484e-17 -16.842 -16.829 0.014 30.40 +Si 6.404e-10 + H2SiO4-2 3.789e-10 1.328e-10 -9.421 -9.877 -0.455 (0) + H3SiO4- 2.614e-10 1.952e-10 -9.583 -9.710 -0.127 28.29 + H4SiO4 1.283e-13 1.324e-13 -12.892 -12.878 0.014 52.08 + +------------------------------Saturation indices------------------------------- + + Phase SI** log IAP log K(298 K, 1 atm) + + Al(OH)3(a) -10.93 -0.13 10.80 Al(OH)3 + Albite -40.19 -58.20 -18.00 NaAlSi3O8 + Chalcedony -9.32 -12.87 -3.55 SiO2 + Fix_pH -13.00 -13.00 0.00 H+ + Gibbsite -8.24 -0.13 8.11 Al(OH)3 + H2(g) -34.68 -37.78 -3.10 H2 + H2O(g) -1.50 -0.00 1.50 H2O + Kaolinite -33.43 -26.00 7.43 Al2Si2O5(OH)4 + LiBr 0.00 -20.00 -20.00 LiBr + O2(g) -13.94 -16.83 -2.89 O2 + Quartz -8.89 -12.87 -3.98 SiO2 + SiO2(a) -10.16 -12.87 -2.71 SiO2 + +**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. + For ideal gases, phi = 1. + +------------------ +End of simulation. +------------------ + +------------------------------------- +Reading input data for simulation 90. +------------------------------------- + + USE solution 1 + EQUILIBRIUM_PHASES 1 + LiBr + Fix_pH -1.3500e+01 LiOH 10 + USE kinetics 1 + END +----------------------------------------- +Beginning of batch-reaction calculations. +----------------------------------------- + +Reaction step 1. + +Using solution 1. +Using pure phase assemblage 1. +Using kinetics 1. + +Kinetics 1. + + Time step: 1 seconds + + Rate name Delta Moles Total Moles Reactant Coefficient + + Albite_Hermanska -2.989e-10 1.000e+00 NaAlSi3O8 1 + +-------------------------------Phase assemblage-------------------------------- + + Moles in assemblage +Phase SI log IAP log K(T, P) Initial Final Delta + +Fix_pH -13.50 -13.50 0.00 + LiOH is reactant 1.000e+01 9.503e+00 -4.971e-01 +LiBr 0.00 -20.00 -20.00 1.000e+01 1.000e+01 -1.776e-15 + +-----------------------------Solution composition------------------------------ + + Elements Molality Moles + + Al 2.989e-10 2.989e-10 + Br 4.637e-20 4.637e-20 + Li 4.971e-01 4.971e-01 + Na 2.989e-10 2.989e-10 + Si 8.966e-10 8.966e-10 + +----------------------------Description of solution---------------------------- + + pH = 13.500 Charge balance + pe = 4.418 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 90406 + Density (g/cm³) = 1.01078 + Volume (L) = 1.00111 + Viscosity (mPa s) = 1.04104 + Activity of water = 0.983 + Ionic strength (mol/kgw) = 4.971e-01 + Mass of water (kg) = 1.000e+00 + Total alkalinity (eq/kg) = 4.971e-01 + Temperature (°C) = 25.00 + Electrical balance (eq) = -1.103e-09 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Iterations = 20 + Total H = 1.115095e+02 + Total O = 5.600332e+01 + +----------------------------Distribution of species---------------------------- + + Log Log Log mole V + Species Molality Activity Molality Activity Gamma cm³/mol + + OH- 4.971e-01 3.147e-01 -0.304 -0.502 -0.199 -2.93 + H+ 4.136e-14 3.162e-14 -13.383 -13.500 -0.117 0.00 + H2O 5.551e+01 9.831e-01 1.744 -0.007 0.000 18.07 +Al 2.989e-10 + Al(OH)4- 2.989e-10 1.992e-10 -9.525 -9.701 -0.176 (0) + Al(OH)3 3.033e-18 3.401e-18 -17.518 -17.468 0.050 (0) + Al(OH)2+ 1.072e-24 7.424e-25 -23.970 -24.129 -0.160 (0) + AlOH+2 1.327e-32 3.047e-33 -31.877 -32.516 -0.639 -26.69 + Al+3 1.105e-40 0.000e+00 -39.957 -41.006 -1.049 -40.40 +Br 4.637e-20 + Br- 4.637e-20 2.845e-20 -19.334 -19.546 -0.212 25.14 +H(0) 1.846e-39 + H2 9.229e-40 1.035e-39 -39.035 -38.985 0.050 28.61 +Li 4.971e-01 + Li+ 4.971e-01 3.515e-01 -0.304 -0.454 -0.150 -0.80 +Na 2.989e-10 + Na+ 2.989e-10 2.145e-10 -9.525 -9.669 -0.144 -0.63 + NaOH 6.018e-21 6.748e-21 -20.221 -20.171 0.050 (0) +O(0) 6.711e-15 + O2 3.355e-15 3.762e-15 -14.474 -14.425 0.050 30.40 +Si 8.966e-10 + H2SiO4-2 7.702e-10 1.768e-10 -9.113 -9.752 -0.639 (0) + H3SiO4- 1.263e-10 8.220e-11 -9.898 -10.085 -0.187 28.61 + H4SiO4 1.572e-14 1.763e-14 -13.803 -13.754 0.050 52.08 + +------------------------------Saturation indices------------------------------- + + Phase SI** log IAP log K(298 K, 1 atm) + + Al(OH)3(a) -11.33 -0.53 10.80 Al(OH)3 + Albite -42.57 -60.57 -18.00 NaAlSi3O8 + Chalcedony -10.19 -13.74 -3.55 SiO2 + Fix_pH -13.50 -13.50 0.00 H+ + Gibbsite -8.64 -0.53 8.11 Al(OH)3 + H2(g) -35.88 -38.99 -3.10 H2 + H2O(g) -1.51 -0.01 1.50 H2O + Kaolinite -35.96 -28.53 7.43 Al2Si2O5(OH)4 + LiBr 0.00 -20.00 -20.00 LiBr + O2(g) -11.53 -14.42 -2.89 O2 + Quartz -9.76 -13.74 -3.98 SiO2 + SiO2(a) -11.03 -13.74 -2.71 SiO2 + +**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. + For ideal gases, phi = 1. + +------------------ +End of simulation. +------------------ + +------------------------------------- +Reading input data for simulation 91. +------------------------------------- + + USE solution 1 + EQUILIBRIUM_PHASES 1 + LiBr + Fix_pH -14 LiOH 10 + USE kinetics 1 + END +----------------------------------------- +Beginning of batch-reaction calculations. +----------------------------------------- + +Reaction step 1. + +Using solution 1. +Using pure phase assemblage 1. +Using kinetics 1. + +Kinetics 1. + + Time step: 1 seconds + + Rate name Delta Moles Total Moles Reactant Coefficient + + Albite_Hermanska -4.195e-10 1.000e+00 NaAlSi3O8 1 + +-------------------------------Phase assemblage-------------------------------- + + Moles in assemblage +Phase SI log IAP log K(T, P) Initial Final Delta + +Fix_pH -14.00 -14.00 0.00 + LiOH is reactant 1.000e+01 8.236e+00 -1.764e+00 +LiBr 0.00 -20.00 -20.00 1.000e+01 1.000e+01 0.000e+00 + +-----------------------------Solution composition------------------------------ + + Elements Molality Moles + + Al 4.195e-10 4.195e-10 + Br 1.715e-20 1.715e-20 + Li 1.764e+00 1.764e+00 + Na 4.195e-10 4.195e-10 + Si 1.258e-09 1.258e-09 + +----------------------------Description of solution---------------------------- + + pH = 14.000 Charge balance + pe = 4.099 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 270844 + Density (g/cm³) = 1.04153 + Volume (L) = 1.00068 + Viscosity (mPa s) = 1.49903 + Activity of water = 0.940 + Ionic strength (mol/kgw) = 1.764e+00 + Mass of water (kg) = 1.000e+00 + Total alkalinity (eq/kg) = 1.764e+00 + Temperature (°C) = 25.00 + Electrical balance (eq) = -1.399e-09 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Iterations = 20 + Total H = 1.127762e+02 + Total O = 5.727000e+01 + +----------------------------Distribution of species---------------------------- + + Log Log Log mole V + Species Molality Activity Molality Activity Gamma cm³/mol + + OH- 1.764e+00 9.515e-01 0.246 -0.022 -0.268 -0.96 + H+ 1.372e-14 1.000e-14 -13.863 -14.000 -0.137 0.00 + H2O 5.551e+01 9.400e-01 1.744 -0.027 0.000 18.07 +Al 4.195e-10 + Al(OH)4- 4.195e-10 2.478e-10 -9.377 -9.606 -0.229 (0) + Al(OH)3 9.319e-19 1.399e-18 -18.031 -17.854 0.176 (0) + Al(OH)2+ 1.607e-25 1.010e-25 -24.794 -24.996 -0.202 (0) + AlOH+2 8.797e-34 1.371e-34 -33.056 -33.863 -0.807 -26.38 + Al+3 0.000e+00 0.000e+00 -41.596 -42.833 -1.237 -39.56 +Br 1.715e-20 + Br- 1.715e-20 8.726e-21 -19.766 -20.059 -0.293 25.60 +H(0) 5.967e-40 + H2 2.983e-40 4.478e-40 -39.525 -39.349 0.176 28.61 +Li 1.764e+00 + Li+ 1.764e+00 1.146e+00 0.246 0.059 -0.187 -0.34 +Na 4.195e-10 + Na+ 4.195e-10 3.340e-10 -9.377 -9.476 -0.099 0.05 + NaOH 2.117e-20 3.178e-20 -19.674 -19.498 0.176 (0) +O(0) 2.448e-14 + O2 1.224e-14 1.837e-14 -13.912 -13.736 0.176 30.40 +Si 1.258e-09 + H2SiO4-2 1.210e-09 1.885e-10 -8.917 -9.725 -0.807 (0) + H3SiO4- 4.890e-11 2.771e-11 -10.311 -10.557 -0.247 29.20 + H4SiO4 1.252e-15 1.879e-15 -14.902 -14.726 0.176 52.08 + +------------------------------Saturation indices------------------------------- + + Phase SI** log IAP log K(298 K, 1 atm) + + Al(OH)3(a) -11.71 -0.91 10.80 Al(OH)3 + Albite -45.04 -63.05 -18.00 NaAlSi3O8 + Chalcedony -11.12 -14.67 -3.55 SiO2 + Fix_pH -14.00 -14.00 0.00 H+ + Gibbsite -9.02 -0.91 8.11 Al(OH)3 + H2(g) -36.25 -39.35 -3.10 H2 + H2O(g) -1.53 -0.03 1.50 H2O + Kaolinite -38.58 -31.15 7.43 Al2Si2O5(OH)4 + LiBr 0.00 -20.00 -20.00 LiBr + O2(g) -10.84 -13.74 -2.89 O2 + Quartz -10.69 -14.67 -3.98 SiO2 + SiO2(a) -11.96 -14.67 -2.71 SiO2 + +**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. + For ideal gases, phi = 1. + +------------------ +End of simulation. +------------------ + +------------------------------------- +Reading input data for simulation 92. +------------------------------------- + + END +------------------ +End of simulation. +------------------ + +------------------------------------- +Reading input data for simulation 93. +------------------------------------- + + USER_GRAPH 1 + -connect_simulations false + END +------------------ +End of simulation. +------------------ + +------------------------------------- +Reading input data for simulation 94. +------------------------------------- + + USE solution 1 + REACTION_TEMPERATURE 1 + 25 25 in 21 + USER_GRAPH 1 + -headings Albite_data + 10 data 1.1, 2.05, 2.45, 2.9, 3, 3.5, 4.1, 5.1, 5.35, 5.47, 5.63, 5.63, 5.73, 7.73, 9.95, 9.95, 9.95, 10.6, 11.2, 11.55, 12.3 + 20 data -10.25, -10.55, -10.82, -11.25, -11.1, -11.4, -11.47, -11.82, -11.75, -11.65, -11.83, -11.92, -11.92, -11.83, -10.97, -11.05, -11.13, -10.95, -10.55, -10.6, -10.38 # Chou, L., Wollast, R., 1985. Steady-state kinetics and dissolution mechanisms of albite. Am. J. Sci. 285, 963–993. + 30 restore 10 : dim ph(21) : for i = 1 to step_no : read ph(i) : next i + 40 restore 20 : dim lk(21) : for i = 1 to step_no : read lk(i) : next i + 50 i = step_no : plot_xy ph(i), lk(i), line_width = 0, color = Black, y_axis = 2, symbol_size = 10, symbol = Circle +----------------------------------------- +Beginning of batch-reaction calculations. +----------------------------------------- + +Reaction step 1. + +Using solution 1. +Using temperature 1. + +-----------------------------Solution composition------------------------------ + + Elements Molality Moles + + Pure water + +----------------------------Description of solution---------------------------- + + pH = 7.000 Charge balance + pe = 11.691 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 0 + Density (g/cm³) = 0.99704 + Volume (L) = 1.00297 + Viscosity (mPa s) = 0.89002 + Activity of water = 1.000 + Ionic strength (mol/kgw) = 1.006e-07 + Mass of water (kg) = 1.000e+00 + Total alkalinity (eq/kg) = 1.217e-09 + Temperature (°C) = 25.00 + Electrical balance (eq) = -1.217e-09 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.60 + Iterations = 7 + 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- 1.013e-07 1.012e-07 -6.995 -6.995 -0.000 -4.14 + H+ 1.000e-07 1.000e-07 -7.000 -7.000 -0.000 0.00 + H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07 +H(0) 0.000e+00 + H2 0.000e+00 0.000e+00 -40.533 -40.533 0.000 28.61 +O(0) 9.700e-12 + O2 4.850e-12 4.850e-12 -11.314 -11.314 0.000 30.40 + +------------------------------Saturation indices------------------------------- + + Phase SI** log IAP log K(298 K, 1 atm) + + Fix_pH -7.00 -7.00 0.00 H+ + H2(g) -37.43 -40.53 -3.10 H2 + H2O(g) -1.50 -0.00 1.50 H2O + O2(g) -8.42 -11.31 -2.89 O2 + +**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. + For ideal gases, phi = 1. + +Reaction step 2. + +Using solution 1. +Using temperature 1. + +-----------------------------Solution composition------------------------------ + + Elements Molality Moles + + Pure water + +----------------------------Description of solution---------------------------- + + pH = 7.000 Charge balance + pe = 11.691 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 0 + Density (g/cm³) = 0.99704 + Volume (L) = 1.00297 + Viscosity (mPa s) = 0.89002 + Activity of water = 1.000 + Ionic strength (mol/kgw) = 1.006e-07 + Mass of water (kg) = 1.000e+00 + Total alkalinity (eq/kg) = 1.217e-09 + Temperature (°C) = 25.00 + Electrical balance (eq) = -1.217e-09 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.60 + Iterations = 7 + 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- 1.013e-07 1.012e-07 -6.995 -6.995 -0.000 -4.14 + H+ 1.000e-07 1.000e-07 -7.000 -7.000 -0.000 0.00 + H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07 +H(0) 0.000e+00 + H2 0.000e+00 0.000e+00 -40.533 -40.533 0.000 28.61 +O(0) 9.700e-12 + O2 4.850e-12 4.850e-12 -11.314 -11.314 0.000 30.40 + +------------------------------Saturation indices------------------------------- + + Phase SI** log IAP log K(298 K, 1 atm) + + Fix_pH -7.00 -7.00 0.00 H+ + H2(g) -37.43 -40.53 -3.10 H2 + H2O(g) -1.50 -0.00 1.50 H2O + O2(g) -8.42 -11.31 -2.89 O2 + +**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. + For ideal gases, phi = 1. + +Reaction step 3. + +Using solution 1. +Using temperature 1. + +-----------------------------Solution composition------------------------------ + + Elements Molality Moles + + Pure water + +----------------------------Description of solution---------------------------- + + pH = 7.000 Charge balance + pe = 11.691 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 0 + Density (g/cm³) = 0.99704 + Volume (L) = 1.00297 + Viscosity (mPa s) = 0.89002 + Activity of water = 1.000 + Ionic strength (mol/kgw) = 1.006e-07 + Mass of water (kg) = 1.000e+00 + Total alkalinity (eq/kg) = 1.217e-09 + Temperature (°C) = 25.00 + Electrical balance (eq) = -1.217e-09 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.60 + Iterations = 7 + 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- 1.013e-07 1.012e-07 -6.995 -6.995 -0.000 -4.14 + H+ 1.000e-07 1.000e-07 -7.000 -7.000 -0.000 0.00 + H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07 +H(0) 0.000e+00 + H2 0.000e+00 0.000e+00 -40.533 -40.533 0.000 28.61 +O(0) 9.700e-12 + O2 4.850e-12 4.850e-12 -11.314 -11.314 0.000 30.40 + +------------------------------Saturation indices------------------------------- + + Phase SI** log IAP log K(298 K, 1 atm) + + Fix_pH -7.00 -7.00 0.00 H+ + H2(g) -37.43 -40.53 -3.10 H2 + H2O(g) -1.50 -0.00 1.50 H2O + O2(g) -8.42 -11.31 -2.89 O2 + +**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. + For ideal gases, phi = 1. + +Reaction step 4. + +Using solution 1. +Using temperature 1. + +-----------------------------Solution composition------------------------------ + + Elements Molality Moles + + Pure water + +----------------------------Description of solution---------------------------- + + pH = 7.000 Charge balance + pe = 11.691 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 0 + Density (g/cm³) = 0.99704 + Volume (L) = 1.00297 + Viscosity (mPa s) = 0.89002 + Activity of water = 1.000 + Ionic strength (mol/kgw) = 1.006e-07 + Mass of water (kg) = 1.000e+00 + Total alkalinity (eq/kg) = 1.217e-09 + Temperature (°C) = 25.00 + Electrical balance (eq) = -1.217e-09 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.60 + Iterations = 7 + 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- 1.013e-07 1.012e-07 -6.995 -6.995 -0.000 -4.14 + H+ 1.000e-07 1.000e-07 -7.000 -7.000 -0.000 0.00 + H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07 +H(0) 0.000e+00 + H2 0.000e+00 0.000e+00 -40.533 -40.533 0.000 28.61 +O(0) 9.700e-12 + O2 4.850e-12 4.850e-12 -11.314 -11.314 0.000 30.40 + +------------------------------Saturation indices------------------------------- + + Phase SI** log IAP log K(298 K, 1 atm) + + Fix_pH -7.00 -7.00 0.00 H+ + H2(g) -37.43 -40.53 -3.10 H2 + H2O(g) -1.50 -0.00 1.50 H2O + O2(g) -8.42 -11.31 -2.89 O2 + +**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. + For ideal gases, phi = 1. + +Reaction step 5. + +Using solution 1. +Using temperature 1. + +-----------------------------Solution composition------------------------------ + + Elements Molality Moles + + Pure water + +----------------------------Description of solution---------------------------- + + pH = 7.000 Charge balance + pe = 11.691 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 0 + Density (g/cm³) = 0.99704 + Volume (L) = 1.00297 + Viscosity (mPa s) = 0.89002 + Activity of water = 1.000 + Ionic strength (mol/kgw) = 1.006e-07 + Mass of water (kg) = 1.000e+00 + Total alkalinity (eq/kg) = 1.217e-09 + Temperature (°C) = 25.00 + Electrical balance (eq) = -1.217e-09 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.60 + Iterations = 7 + 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- 1.013e-07 1.012e-07 -6.995 -6.995 -0.000 -4.14 + H+ 1.000e-07 1.000e-07 -7.000 -7.000 -0.000 0.00 + H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07 +H(0) 0.000e+00 + H2 0.000e+00 0.000e+00 -40.533 -40.533 0.000 28.61 +O(0) 9.700e-12 + O2 4.850e-12 4.850e-12 -11.314 -11.314 0.000 30.40 + +------------------------------Saturation indices------------------------------- + + Phase SI** log IAP log K(298 K, 1 atm) + + Fix_pH -7.00 -7.00 0.00 H+ + H2(g) -37.43 -40.53 -3.10 H2 + H2O(g) -1.50 -0.00 1.50 H2O + O2(g) -8.42 -11.31 -2.89 O2 + +**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. + For ideal gases, phi = 1. + +Reaction step 6. + +Using solution 1. +Using temperature 1. + +-----------------------------Solution composition------------------------------ + + Elements Molality Moles + + Pure water + +----------------------------Description of solution---------------------------- + + pH = 7.000 Charge balance + pe = 11.691 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 0 + Density (g/cm³) = 0.99704 + Volume (L) = 1.00297 + Viscosity (mPa s) = 0.89002 + Activity of water = 1.000 + Ionic strength (mol/kgw) = 1.006e-07 + Mass of water (kg) = 1.000e+00 + Total alkalinity (eq/kg) = 1.217e-09 + Temperature (°C) = 25.00 + Electrical balance (eq) = -1.217e-09 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.60 + Iterations = 7 + 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- 1.013e-07 1.012e-07 -6.995 -6.995 -0.000 -4.14 + H+ 1.000e-07 1.000e-07 -7.000 -7.000 -0.000 0.00 + H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07 +H(0) 0.000e+00 + H2 0.000e+00 0.000e+00 -40.533 -40.533 0.000 28.61 +O(0) 9.700e-12 + O2 4.850e-12 4.850e-12 -11.314 -11.314 0.000 30.40 + +------------------------------Saturation indices------------------------------- + + Phase SI** log IAP log K(298 K, 1 atm) + + Fix_pH -7.00 -7.00 0.00 H+ + H2(g) -37.43 -40.53 -3.10 H2 + H2O(g) -1.50 -0.00 1.50 H2O + O2(g) -8.42 -11.31 -2.89 O2 + +**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. + For ideal gases, phi = 1. + +Reaction step 7. + +Using solution 1. +Using temperature 1. + +-----------------------------Solution composition------------------------------ + + Elements Molality Moles + + Pure water + +----------------------------Description of solution---------------------------- + + pH = 7.000 Charge balance + pe = 11.691 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 0 + Density (g/cm³) = 0.99704 + Volume (L) = 1.00297 + Viscosity (mPa s) = 0.89002 + Activity of water = 1.000 + Ionic strength (mol/kgw) = 1.006e-07 + Mass of water (kg) = 1.000e+00 + Total alkalinity (eq/kg) = 1.217e-09 + Temperature (°C) = 25.00 + Electrical balance (eq) = -1.217e-09 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.60 + Iterations = 7 + 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- 1.013e-07 1.012e-07 -6.995 -6.995 -0.000 -4.14 + H+ 1.000e-07 1.000e-07 -7.000 -7.000 -0.000 0.00 + H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07 +H(0) 0.000e+00 + H2 0.000e+00 0.000e+00 -40.533 -40.533 0.000 28.61 +O(0) 9.700e-12 + O2 4.850e-12 4.850e-12 -11.314 -11.314 0.000 30.40 + +------------------------------Saturation indices------------------------------- + + Phase SI** log IAP log K(298 K, 1 atm) + + Fix_pH -7.00 -7.00 0.00 H+ + H2(g) -37.43 -40.53 -3.10 H2 + H2O(g) -1.50 -0.00 1.50 H2O + O2(g) -8.42 -11.31 -2.89 O2 + +**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. + For ideal gases, phi = 1. + +Reaction step 8. + +Using solution 1. +Using temperature 1. + +-----------------------------Solution composition------------------------------ + + Elements Molality Moles + + Pure water + +----------------------------Description of solution---------------------------- + + pH = 7.000 Charge balance + pe = 11.691 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 0 + Density (g/cm³) = 0.99704 + Volume (L) = 1.00297 + Viscosity (mPa s) = 0.89002 + Activity of water = 1.000 + Ionic strength (mol/kgw) = 1.006e-07 + Mass of water (kg) = 1.000e+00 + Total alkalinity (eq/kg) = 1.217e-09 + Temperature (°C) = 25.00 + Electrical balance (eq) = -1.217e-09 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.60 + Iterations = 7 + 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- 1.013e-07 1.012e-07 -6.995 -6.995 -0.000 -4.14 + H+ 1.000e-07 1.000e-07 -7.000 -7.000 -0.000 0.00 + H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07 +H(0) 0.000e+00 + H2 0.000e+00 0.000e+00 -40.533 -40.533 0.000 28.61 +O(0) 9.700e-12 + O2 4.850e-12 4.850e-12 -11.314 -11.314 0.000 30.40 + +------------------------------Saturation indices------------------------------- + + Phase SI** log IAP log K(298 K, 1 atm) + + Fix_pH -7.00 -7.00 0.00 H+ + H2(g) -37.43 -40.53 -3.10 H2 + H2O(g) -1.50 -0.00 1.50 H2O + O2(g) -8.42 -11.31 -2.89 O2 + +**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. + For ideal gases, phi = 1. + +Reaction step 9. + +Using solution 1. +Using temperature 1. + +-----------------------------Solution composition------------------------------ + + Elements Molality Moles + + Pure water + +----------------------------Description of solution---------------------------- + + pH = 7.000 Charge balance + pe = 11.691 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 0 + Density (g/cm³) = 0.99704 + Volume (L) = 1.00297 + Viscosity (mPa s) = 0.89002 + Activity of water = 1.000 + Ionic strength (mol/kgw) = 1.006e-07 + Mass of water (kg) = 1.000e+00 + Total alkalinity (eq/kg) = 1.217e-09 + Temperature (°C) = 25.00 + Electrical balance (eq) = -1.217e-09 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.60 + Iterations = 7 + 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- 1.013e-07 1.012e-07 -6.995 -6.995 -0.000 -4.14 + H+ 1.000e-07 1.000e-07 -7.000 -7.000 -0.000 0.00 + H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07 +H(0) 0.000e+00 + H2 0.000e+00 0.000e+00 -40.533 -40.533 0.000 28.61 +O(0) 9.700e-12 + O2 4.850e-12 4.850e-12 -11.314 -11.314 0.000 30.40 + +------------------------------Saturation indices------------------------------- + + Phase SI** log IAP log K(298 K, 1 atm) + + Fix_pH -7.00 -7.00 0.00 H+ + H2(g) -37.43 -40.53 -3.10 H2 + H2O(g) -1.50 -0.00 1.50 H2O + O2(g) -8.42 -11.31 -2.89 O2 + +**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. + For ideal gases, phi = 1. + +Reaction step 10. + +Using solution 1. +Using temperature 1. + +-----------------------------Solution composition------------------------------ + + Elements Molality Moles + + Pure water + +----------------------------Description of solution---------------------------- + + pH = 7.000 Charge balance + pe = 11.691 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 0 + Density (g/cm³) = 0.99704 + Volume (L) = 1.00297 + Viscosity (mPa s) = 0.89002 + Activity of water = 1.000 + Ionic strength (mol/kgw) = 1.006e-07 + Mass of water (kg) = 1.000e+00 + Total alkalinity (eq/kg) = 1.217e-09 + Temperature (°C) = 25.00 + Electrical balance (eq) = -1.217e-09 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.60 + Iterations = 7 + 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- 1.013e-07 1.012e-07 -6.995 -6.995 -0.000 -4.14 + H+ 1.000e-07 1.000e-07 -7.000 -7.000 -0.000 0.00 + H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07 +H(0) 0.000e+00 + H2 0.000e+00 0.000e+00 -40.533 -40.533 0.000 28.61 +O(0) 9.700e-12 + O2 4.850e-12 4.850e-12 -11.314 -11.314 0.000 30.40 + +------------------------------Saturation indices------------------------------- + + Phase SI** log IAP log K(298 K, 1 atm) + + Fix_pH -7.00 -7.00 0.00 H+ + H2(g) -37.43 -40.53 -3.10 H2 + H2O(g) -1.50 -0.00 1.50 H2O + O2(g) -8.42 -11.31 -2.89 O2 + +**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. + For ideal gases, phi = 1. + +Reaction step 11. + +Using solution 1. +Using temperature 1. + +-----------------------------Solution composition------------------------------ + + Elements Molality Moles + + Pure water + +----------------------------Description of solution---------------------------- + + pH = 7.000 Charge balance + pe = 11.691 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 0 + Density (g/cm³) = 0.99704 + Volume (L) = 1.00297 + Viscosity (mPa s) = 0.89002 + Activity of water = 1.000 + Ionic strength (mol/kgw) = 1.006e-07 + Mass of water (kg) = 1.000e+00 + Total alkalinity (eq/kg) = 1.217e-09 + Temperature (°C) = 25.00 + Electrical balance (eq) = -1.217e-09 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.60 + Iterations = 7 + 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- 1.013e-07 1.012e-07 -6.995 -6.995 -0.000 -4.14 + H+ 1.000e-07 1.000e-07 -7.000 -7.000 -0.000 0.00 + H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07 +H(0) 0.000e+00 + H2 0.000e+00 0.000e+00 -40.533 -40.533 0.000 28.61 +O(0) 9.700e-12 + O2 4.850e-12 4.850e-12 -11.314 -11.314 0.000 30.40 + +------------------------------Saturation indices------------------------------- + + Phase SI** log IAP log K(298 K, 1 atm) + + Fix_pH -7.00 -7.00 0.00 H+ + H2(g) -37.43 -40.53 -3.10 H2 + H2O(g) -1.50 -0.00 1.50 H2O + O2(g) -8.42 -11.31 -2.89 O2 + +**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. + For ideal gases, phi = 1. + +Reaction step 12. + +Using solution 1. +Using temperature 1. + +-----------------------------Solution composition------------------------------ + + Elements Molality Moles + + Pure water + +----------------------------Description of solution---------------------------- + + pH = 7.000 Charge balance + pe = 11.691 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 0 + Density (g/cm³) = 0.99704 + Volume (L) = 1.00297 + Viscosity (mPa s) = 0.89002 + Activity of water = 1.000 + Ionic strength (mol/kgw) = 1.006e-07 + Mass of water (kg) = 1.000e+00 + Total alkalinity (eq/kg) = 1.217e-09 + Temperature (°C) = 25.00 + Electrical balance (eq) = -1.217e-09 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.60 + Iterations = 7 + 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- 1.013e-07 1.012e-07 -6.995 -6.995 -0.000 -4.14 + H+ 1.000e-07 1.000e-07 -7.000 -7.000 -0.000 0.00 + H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07 +H(0) 0.000e+00 + H2 0.000e+00 0.000e+00 -40.533 -40.533 0.000 28.61 +O(0) 9.700e-12 + O2 4.850e-12 4.850e-12 -11.314 -11.314 0.000 30.40 + +------------------------------Saturation indices------------------------------- + + Phase SI** log IAP log K(298 K, 1 atm) + + Fix_pH -7.00 -7.00 0.00 H+ + H2(g) -37.43 -40.53 -3.10 H2 + H2O(g) -1.50 -0.00 1.50 H2O + O2(g) -8.42 -11.31 -2.89 O2 + +**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. + For ideal gases, phi = 1. + +Reaction step 13. + +Using solution 1. +Using temperature 1. + +-----------------------------Solution composition------------------------------ + + Elements Molality Moles + + Pure water + +----------------------------Description of solution---------------------------- + + pH = 7.000 Charge balance + pe = 11.691 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 0 + Density (g/cm³) = 0.99704 + Volume (L) = 1.00297 + Viscosity (mPa s) = 0.89002 + Activity of water = 1.000 + Ionic strength (mol/kgw) = 1.006e-07 + Mass of water (kg) = 1.000e+00 + Total alkalinity (eq/kg) = 1.217e-09 + Temperature (°C) = 25.00 + Electrical balance (eq) = -1.217e-09 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.60 + Iterations = 7 + 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- 1.013e-07 1.012e-07 -6.995 -6.995 -0.000 -4.14 + H+ 1.000e-07 1.000e-07 -7.000 -7.000 -0.000 0.00 + H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07 +H(0) 0.000e+00 + H2 0.000e+00 0.000e+00 -40.533 -40.533 0.000 28.61 +O(0) 9.700e-12 + O2 4.850e-12 4.850e-12 -11.314 -11.314 0.000 30.40 + +------------------------------Saturation indices------------------------------- + + Phase SI** log IAP log K(298 K, 1 atm) + + Fix_pH -7.00 -7.00 0.00 H+ + H2(g) -37.43 -40.53 -3.10 H2 + H2O(g) -1.50 -0.00 1.50 H2O + O2(g) -8.42 -11.31 -2.89 O2 + +**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. + For ideal gases, phi = 1. + +Reaction step 14. + +Using solution 1. +Using temperature 1. + +-----------------------------Solution composition------------------------------ + + Elements Molality Moles + + Pure water + +----------------------------Description of solution---------------------------- + + pH = 7.000 Charge balance + pe = 11.691 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 0 + Density (g/cm³) = 0.99704 + Volume (L) = 1.00297 + Viscosity (mPa s) = 0.89002 + Activity of water = 1.000 + Ionic strength (mol/kgw) = 1.006e-07 + Mass of water (kg) = 1.000e+00 + Total alkalinity (eq/kg) = 1.217e-09 + Temperature (°C) = 25.00 + Electrical balance (eq) = -1.217e-09 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.60 + Iterations = 7 + 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- 1.013e-07 1.012e-07 -6.995 -6.995 -0.000 -4.14 + H+ 1.000e-07 1.000e-07 -7.000 -7.000 -0.000 0.00 + H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07 +H(0) 0.000e+00 + H2 0.000e+00 0.000e+00 -40.533 -40.533 0.000 28.61 +O(0) 9.700e-12 + O2 4.850e-12 4.850e-12 -11.314 -11.314 0.000 30.40 + +------------------------------Saturation indices------------------------------- + + Phase SI** log IAP log K(298 K, 1 atm) + + Fix_pH -7.00 -7.00 0.00 H+ + H2(g) -37.43 -40.53 -3.10 H2 + H2O(g) -1.50 -0.00 1.50 H2O + O2(g) -8.42 -11.31 -2.89 O2 + +**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. + For ideal gases, phi = 1. + +Reaction step 15. + +Using solution 1. +Using temperature 1. + +-----------------------------Solution composition------------------------------ + + Elements Molality Moles + + Pure water + +----------------------------Description of solution---------------------------- + + pH = 7.000 Charge balance + pe = 11.691 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 0 + Density (g/cm³) = 0.99704 + Volume (L) = 1.00297 + Viscosity (mPa s) = 0.89002 + Activity of water = 1.000 + Ionic strength (mol/kgw) = 1.006e-07 + Mass of water (kg) = 1.000e+00 + Total alkalinity (eq/kg) = 1.217e-09 + Temperature (°C) = 25.00 + Electrical balance (eq) = -1.217e-09 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.60 + Iterations = 7 + 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- 1.013e-07 1.012e-07 -6.995 -6.995 -0.000 -4.14 + H+ 1.000e-07 1.000e-07 -7.000 -7.000 -0.000 0.00 + H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07 +H(0) 0.000e+00 + H2 0.000e+00 0.000e+00 -40.533 -40.533 0.000 28.61 +O(0) 9.700e-12 + O2 4.850e-12 4.850e-12 -11.314 -11.314 0.000 30.40 + +------------------------------Saturation indices------------------------------- + + Phase SI** log IAP log K(298 K, 1 atm) + + Fix_pH -7.00 -7.00 0.00 H+ + H2(g) -37.43 -40.53 -3.10 H2 + H2O(g) -1.50 -0.00 1.50 H2O + O2(g) -8.42 -11.31 -2.89 O2 + +**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. + For ideal gases, phi = 1. + +Reaction step 16. + +Using solution 1. +Using temperature 1. + +-----------------------------Solution composition------------------------------ + + Elements Molality Moles + + Pure water + +----------------------------Description of solution---------------------------- + + pH = 7.000 Charge balance + pe = 11.691 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 0 + Density (g/cm³) = 0.99704 + Volume (L) = 1.00297 + Viscosity (mPa s) = 0.89002 + Activity of water = 1.000 + Ionic strength (mol/kgw) = 1.006e-07 + Mass of water (kg) = 1.000e+00 + Total alkalinity (eq/kg) = 1.217e-09 + Temperature (°C) = 25.00 + Electrical balance (eq) = -1.217e-09 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.60 + Iterations = 7 + 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- 1.013e-07 1.012e-07 -6.995 -6.995 -0.000 -4.14 + H+ 1.000e-07 1.000e-07 -7.000 -7.000 -0.000 0.00 + H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07 +H(0) 0.000e+00 + H2 0.000e+00 0.000e+00 -40.533 -40.533 0.000 28.61 +O(0) 9.700e-12 + O2 4.850e-12 4.850e-12 -11.314 -11.314 0.000 30.40 + +------------------------------Saturation indices------------------------------- + + Phase SI** log IAP log K(298 K, 1 atm) + + Fix_pH -7.00 -7.00 0.00 H+ + H2(g) -37.43 -40.53 -3.10 H2 + H2O(g) -1.50 -0.00 1.50 H2O + O2(g) -8.42 -11.31 -2.89 O2 + +**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. + For ideal gases, phi = 1. + +Reaction step 17. + +Using solution 1. +Using temperature 1. + +-----------------------------Solution composition------------------------------ + + Elements Molality Moles + + Pure water + +----------------------------Description of solution---------------------------- + + pH = 7.000 Charge balance + pe = 11.691 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 0 + Density (g/cm³) = 0.99704 + Volume (L) = 1.00297 + Viscosity (mPa s) = 0.89002 + Activity of water = 1.000 + Ionic strength (mol/kgw) = 1.006e-07 + Mass of water (kg) = 1.000e+00 + Total alkalinity (eq/kg) = 1.217e-09 + Temperature (°C) = 25.00 + Electrical balance (eq) = -1.217e-09 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.60 + Iterations = 7 + 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- 1.013e-07 1.012e-07 -6.995 -6.995 -0.000 -4.14 + H+ 1.000e-07 1.000e-07 -7.000 -7.000 -0.000 0.00 + H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07 +H(0) 0.000e+00 + H2 0.000e+00 0.000e+00 -40.533 -40.533 0.000 28.61 +O(0) 9.700e-12 + O2 4.850e-12 4.850e-12 -11.314 -11.314 0.000 30.40 + +------------------------------Saturation indices------------------------------- + + Phase SI** log IAP log K(298 K, 1 atm) + + Fix_pH -7.00 -7.00 0.00 H+ + H2(g) -37.43 -40.53 -3.10 H2 + H2O(g) -1.50 -0.00 1.50 H2O + O2(g) -8.42 -11.31 -2.89 O2 + +**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. + For ideal gases, phi = 1. + +Reaction step 18. + +Using solution 1. +Using temperature 1. + +-----------------------------Solution composition------------------------------ + + Elements Molality Moles + + Pure water + +----------------------------Description of solution---------------------------- + + pH = 7.000 Charge balance + pe = 11.691 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 0 + Density (g/cm³) = 0.99704 + Volume (L) = 1.00297 + Viscosity (mPa s) = 0.89002 + Activity of water = 1.000 + Ionic strength (mol/kgw) = 1.006e-07 + Mass of water (kg) = 1.000e+00 + Total alkalinity (eq/kg) = 1.217e-09 + Temperature (°C) = 25.00 + Electrical balance (eq) = -1.217e-09 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.60 + Iterations = 7 + 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- 1.013e-07 1.012e-07 -6.995 -6.995 -0.000 -4.14 + H+ 1.000e-07 1.000e-07 -7.000 -7.000 -0.000 0.00 + H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07 +H(0) 0.000e+00 + H2 0.000e+00 0.000e+00 -40.533 -40.533 0.000 28.61 +O(0) 9.700e-12 + O2 4.850e-12 4.850e-12 -11.314 -11.314 0.000 30.40 + +------------------------------Saturation indices------------------------------- + + Phase SI** log IAP log K(298 K, 1 atm) + + Fix_pH -7.00 -7.00 0.00 H+ + H2(g) -37.43 -40.53 -3.10 H2 + H2O(g) -1.50 -0.00 1.50 H2O + O2(g) -8.42 -11.31 -2.89 O2 + +**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. + For ideal gases, phi = 1. + +Reaction step 19. + +Using solution 1. +Using temperature 1. + +-----------------------------Solution composition------------------------------ + + Elements Molality Moles + + Pure water + +----------------------------Description of solution---------------------------- + + pH = 7.000 Charge balance + pe = 11.691 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 0 + Density (g/cm³) = 0.99704 + Volume (L) = 1.00297 + Viscosity (mPa s) = 0.89002 + Activity of water = 1.000 + Ionic strength (mol/kgw) = 1.006e-07 + Mass of water (kg) = 1.000e+00 + Total alkalinity (eq/kg) = 1.217e-09 + Temperature (°C) = 25.00 + Electrical balance (eq) = -1.217e-09 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.60 + Iterations = 7 + 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- 1.013e-07 1.012e-07 -6.995 -6.995 -0.000 -4.14 + H+ 1.000e-07 1.000e-07 -7.000 -7.000 -0.000 0.00 + H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07 +H(0) 0.000e+00 + H2 0.000e+00 0.000e+00 -40.533 -40.533 0.000 28.61 +O(0) 9.700e-12 + O2 4.850e-12 4.850e-12 -11.314 -11.314 0.000 30.40 + +------------------------------Saturation indices------------------------------- + + Phase SI** log IAP log K(298 K, 1 atm) + + Fix_pH -7.00 -7.00 0.00 H+ + H2(g) -37.43 -40.53 -3.10 H2 + H2O(g) -1.50 -0.00 1.50 H2O + O2(g) -8.42 -11.31 -2.89 O2 + +**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. + For ideal gases, phi = 1. + +Reaction step 20. + +Using solution 1. +Using temperature 1. + +-----------------------------Solution composition------------------------------ + + Elements Molality Moles + + Pure water + +----------------------------Description of solution---------------------------- + + pH = 7.000 Charge balance + pe = 11.691 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 0 + Density (g/cm³) = 0.99704 + Volume (L) = 1.00297 + Viscosity (mPa s) = 0.89002 + Activity of water = 1.000 + Ionic strength (mol/kgw) = 1.006e-07 + Mass of water (kg) = 1.000e+00 + Total alkalinity (eq/kg) = 1.217e-09 + Temperature (°C) = 25.00 + Electrical balance (eq) = -1.217e-09 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.60 + Iterations = 7 + 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- 1.013e-07 1.012e-07 -6.995 -6.995 -0.000 -4.14 + H+ 1.000e-07 1.000e-07 -7.000 -7.000 -0.000 0.00 + H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07 +H(0) 0.000e+00 + H2 0.000e+00 0.000e+00 -40.533 -40.533 0.000 28.61 +O(0) 9.700e-12 + O2 4.850e-12 4.850e-12 -11.314 -11.314 0.000 30.40 + +------------------------------Saturation indices------------------------------- + + Phase SI** log IAP log K(298 K, 1 atm) + + Fix_pH -7.00 -7.00 0.00 H+ + H2(g) -37.43 -40.53 -3.10 H2 + H2O(g) -1.50 -0.00 1.50 H2O + O2(g) -8.42 -11.31 -2.89 O2 + +**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. + For ideal gases, phi = 1. + +Reaction step 21. + +Using solution 1. +Using temperature 1. + +-----------------------------Solution composition------------------------------ + + Elements Molality Moles + + Pure water + +----------------------------Description of solution---------------------------- + + pH = 7.000 Charge balance + pe = 11.691 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 0 + Density (g/cm³) = 0.99704 + Volume (L) = 1.00297 + Viscosity (mPa s) = 0.89002 + Activity of water = 1.000 + Ionic strength (mol/kgw) = 1.006e-07 + Mass of water (kg) = 1.000e+00 + Total alkalinity (eq/kg) = 1.217e-09 + Temperature (°C) = 25.00 + Electrical balance (eq) = -1.217e-09 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.60 + Iterations = 7 + 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- 1.013e-07 1.012e-07 -6.995 -6.995 -0.000 -4.14 + H+ 1.000e-07 1.000e-07 -7.000 -7.000 -0.000 0.00 + H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07 +H(0) 0.000e+00 + H2 0.000e+00 0.000e+00 -40.533 -40.533 0.000 28.61 +O(0) 9.700e-12 + O2 4.850e-12 4.850e-12 -11.314 -11.314 0.000 30.40 + +------------------------------Saturation indices------------------------------- + + Phase SI** log IAP log K(298 K, 1 atm) + + Fix_pH -7.00 -7.00 0.00 H+ + H2(g) -37.43 -40.53 -3.10 H2 + H2O(g) -1.50 -0.00 1.50 H2O + O2(g) -8.42 -11.31 -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 95. +------------------------------------- + diff --git a/mytest/kinetic_rates_101.sel b/mytest/kinetic_rates_101.sel index 64371709b..ca24b0999 100644 --- a/mytest/kinetic_rates_101.sel +++ b/mytest/kinetic_rates_101.sel @@ -58,3 +58,53 @@ 0.136622746703 27658.3299671486 0.497107317999 90406.0337093086 1.763786035172 270844.3649748481 + 1.360612168860 467946.6937388044 + 0.410098469481 157258.3044422624 + 0.122379599340 48875.3872747687 + 0.036497908640 14865.2022951989 + 0.010985261154 4529.2244538355 + 0.003351280662 1393.7289183136 + 0.001035104327 433.1000311804 + 0.000322626433 135.5346556459 + 0.000101154306 42.6015963554 + 0.000031830197 13.4255772645 + 0.000010037578 4.2374450705 + 0.000003169495 1.3389397023 + 0.000001001798 0.4243210134 + 0.000000317057 0.1377065412 + 0.000000100755 0.0547036485 + 0.000000319688 0.0850539411 + 0.000001012759 0.2412982570 + 0.000003206860 0.7547496682 + 0.000010158817 2.3863133773 + 0.000032219343 7.5581523292 + 0.000102411036 23.9721604421 + 0.000326794890 76.2045318401 + 0.001049942407 243.1823918288 + 0.003412857969 781.0303095243 + 0.011308622998 2533.5480778115 + 0.038583758429 8327.9875335549 + 0.136622748493 27658.3300259069 + 0.497107320996 90406.0337726421 + 1.763786039499 270844.3649824787 + 0.000000100645 0.0546913855 + 0.000000100645 0.0546913855 + 0.000000100645 0.0546913855 + 0.000000100645 0.0546913855 + 0.000000100645 0.0546913855 + 0.000000100645 0.0546913855 + 0.000000100645 0.0546913855 + 0.000000100645 0.0546913855 + 0.000000100645 0.0546913855 + 0.000000100645 0.0546913855 + 0.000000100645 0.0546913855 + 0.000000100645 0.0546913855 + 0.000000100645 0.0546913855 + 0.000000100645 0.0546913855 + 0.000000100645 0.0546913855 + 0.000000100645 0.0546913855 + 0.000000100645 0.0546913855 + 0.000000100645 0.0546913855 + 0.000000100645 0.0546913855 + 0.000000100645 0.0546913855 + 0.000000100645 0.0546913855