Input file: ../examples/ex6 Output file: ex6.out Database file: ../database/phreeqc.dat ------------------ Reading data base. ------------------ SOLUTION_MASTER_SPECIES SOLUTION_SPECIES PHASES EXCHANGE_MASTER_SPECIES EXCHANGE_SPECIES SURFACE_MASTER_SPECIES SURFACE_SPECIES RATES END ------------------------------------ Reading input data for simulation 1. ------------------------------------ TITLE Example 6A.--React to phase boundaries. SOLUTION 1 PURE WATER pH 7.0 charge temp 25.0 PHASES Gibbsite Al(OH)3 + 3 H+ = Al+3 + 3 H2O log_k 8.049 delta_h -22.792 kcal Kaolinite Al2Si2O5(OH)4 + 6 H+ = H2O + 2 H4SiO4 + 2 Al+3 log_k 5.708 delta_h -35.306 kcal K-mica KAl3Si3O10(OH)2 + 10 H+ = 3 Al+3 + 3 H4SiO4 + K+ log_k 12.970 delta_h -59.377 kcal K-feldspar KAlSi3O8 + 4 H2O + 4 H+ = Al+3 + 3 H4SiO4 + K+ log_k 0.875 delta_h -12.467 kcal SELECTED_OUTPUT file ex6A-B.sel activities K+ H+ H4SiO4 si Gibbsite Kaolinite K-mica K-feldspar equilibrium_phases Gibbsite Kaolinite K-mica K-feldspar END ----- TITLE ----- Example 6A.--React to phase boundaries. ------------------------------------------- Beginning of initial solution calculations. ------------------------------------------- Initial solution 1. PURE WATER -----------------------------Solution composition------------------------------ Elements Molality Moles Pure water ----------------------------Description of solution---------------------------- pH = 7.000 Charge balance pe = 4.000 Specific Conductance (uS/cm, 25 oC) = 0 Density (g/cm3) = 0.99705 Activity of water = 1.000 Ionic strength = 1.001e-007 Mass of water (kg) = 1.000e+000 Total alkalinity (eq/kg) = 3.121e-018 Total carbon (mol/kg) = 0.000e+000 Total CO2 (mol/kg) = 0.000e+000 Temperature (deg C) = 25.00 Electrical balance (eq) = -3.121e-018 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 2 Total H = 1.110124e+002 Total O = 5.550622e+001 ----------------------------Distribution of species---------------------------- Log Log Log Species Molality Activity Molality Activity Gamma OH- 1.001e-007 1.001e-007 -7.000 -7.000 -0.000 H+ 1.001e-007 1.001e-007 -7.000 -7.000 -0.000 H2O 5.551e+001 1.000e+000 1.744 -0.000 0.000 H(0) 1.417e-025 H2 7.087e-026 7.087e-026 -25.150 -25.150 0.000 O(0) 0.000e+000 O2 0.000e+000 0.000e+000 -42.081 -42.081 0.000 ------------------------------Saturation indices------------------------------- Phase SI log IAP log K(298 K, 1 atm) H2(g) -22.00 -25.15 -3.15 H2 H2O(g) -1.51 -0.00 1.51 H2O O2(g) -39.19 -42.08 -2.89 O2 ------------------ End of simulation. ------------------ ------------------------------------ Reading input data for simulation 2. ------------------------------------ TITLE Example 6A1.--Find amount of K-feldspar dissolved to reach gibbsite saturation. USE solution 1 EQUILIBRIUM_PHASES 1 Gibbsite 0.0 KAlSi3O8 10.0 Kaolinite 0.0 0.0 K-mica 0.0 0.0 K-feldspar 0.0 0.0 USER_GRAPH 1 Example 6 -headings 6A--Intersections -chart_title "K-Feldspar Reaction Path" -axis_titles "Log[H4SiO4]" "Log([K+] / [H+])" -axis_scale x_axis -8.0 0.0 1 1 -axis_scale y_axis -1.0 8.0 1 1 10 PLOT_XY LA("H4SiO4"),(LA("K+")-LA("H+")), color = Red, line_w = 0, symbol = Circle, symbol_size = 10 END ----- TITLE ----- Example 6A1.--Find amount of K-feldspar dissolved to reach gibbsite saturation. ----------------------------------------- Beginning of batch-reaction calculations. ----------------------------------------- Reaction step 1. Using solution 1. PURE WATER Using pure phase assemblage 1. -------------------------------Phase assemblage-------------------------------- Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta Gibbsite 0.00 8.05 8.05 KAlSi3O8 is reactant 1.000e+001 1.000e+001 -2.671e-008 K-feldspar -14.68 -13.81 0.88 0.000e+000 0 0.000e+000 K-mica -10.68 2.29 12.97 0.000e+000 0 0.000e+000 Kaolinite -3.80 1.90 5.71 0.000e+000 0 0.000e+000 -----------------------------Solution composition------------------------------ Elements Molality Moles Al 2.671e-008 2.671e-008 K 2.671e-008 2.671e-008 Si 8.013e-008 8.013e-008 ----------------------------Description of solution---------------------------- pH = 7.006 Charge balance pe = 11.468 Adjusted to redox equilibrium Specific Conductance (uS/cm, 25 oC) = 0 Density (g/cm3) = 0.99705 Activity of water = 1.000 Ionic strength = 1.262e-007 Mass of water (kg) = 1.000e+000 Total alkalinity (eq/kg) = 1.068e-007 Total carbon (mol/kg) = 0.000e+000 Total CO2 (mol/kg) = 0.000e+000 Temperature (deg C) = 25.00 Electrical balance (eq) = -5.300e-017 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 9 Total H = 1.110124e+002 Total O = 5.550622e+001 ----------------------------Distribution of species---------------------------- Log Log Log Species Molality Activity Molality Activity Gamma OH- 1.016e-007 1.015e-007 -6.993 -6.993 -0.000 H+ 9.865e-008 9.861e-008 -7.006 -7.006 -0.000 H2O 5.551e+001 1.000e+000 1.744 -0.000 0.000 Al 2.671e-008 Al(OH)4- 2.455e-008 2.454e-008 -7.610 -7.610 -0.000 Al(OH)3 1.284e-009 1.284e-009 -8.891 -8.891 0.000 Al(OH)2+ 8.597e-010 8.594e-010 -9.066 -9.066 -0.000 AlOH+2 1.083e-011 1.081e-011 -10.965 -10.966 -0.001 Al+3 1.077e-013 1.073e-013 -12.968 -12.969 -0.002 H(0) 0.000e+000 H2 0.000e+000 0.000e+000 -40.099 -40.099 0.000 K 2.671e-008 K+ 2.671e-008 2.670e-008 -7.573 -7.574 -0.000 KOH 9.388e-016 9.388e-016 -15.027 -15.027 0.000 O(0) 1.314e-012 O2 6.572e-013 6.572e-013 -12.182 -12.182 0.000 Si 8.013e-008 H4SiO4 8.001e-008 8.001e-008 -7.097 -7.097 0.000 H3SiO4- 1.197e-010 1.196e-010 -9.922 -9.922 -0.000 H2SiO4-2 8.267e-017 8.253e-017 -16.083 -16.083 -0.001 ------------------------------Saturation indices------------------------------- Phase SI log IAP log K(298 K, 1 atm) Al(OH)3(a) -2.75 8.05 10.80 Al(OH)3 Chalcedony -3.55 -7.10 -3.55 SiO2 Gibbsite 0.00 8.05 8.05 Al(OH)3 H2(g) -36.95 -40.10 -3.15 H2 H2O(g) -1.51 -0.00 1.51 H2O K-feldspar -14.68 -13.81 0.88 KAlSi3O8 K-mica -10.68 2.29 12.97 KAl3Si3O10(OH)2 Kaolinite -3.80 1.90 5.71 Al2Si2O5(OH)4 O2(g) -9.29 -12.18 -2.89 O2 Quartz -3.12 -7.10 -3.98 SiO2 SiO2(a) -4.39 -7.10 -2.71 SiO2 ------------------ End of simulation. ------------------ ------------------------------------ Reading input data for simulation 3. ------------------------------------ TITLE Example 6A2.--Find amount of K-feldspar dissolved to reach kaolinite saturation. USE solution 1 EQUILIBRIUM_PHASES 1 Gibbsite 0.0 0.0 Kaolinite 0.0 KAlSi3O8 10.0 K-mica 0.0 0.0 K-feldspar 0.0 0.0 END ----- TITLE ----- Example 6A2.--Find amount of K-feldspar dissolved to reach kaolinite saturation. ----------------------------------------- Beginning of batch-reaction calculations. ----------------------------------------- Reaction step 1. Using solution 1. PURE WATER Using pure phase assemblage 1. -------------------------------Phase assemblage-------------------------------- Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta Gibbsite 0.00 8.05 8.05 0.000e+000 1.782e-006 1.782e-006 K-feldspar -5.86 -4.99 0.88 0.000e+000 0 0.000e+000 K-mica -1.86 11.11 12.97 0.000e+000 0 0.000e+000 Kaolinite 0.00 5.71 5.71 KAlSi3O8 is reactant 1.000e+001 1.000e+001 -2.179e-006 -----------------------------Solution composition------------------------------ Elements Molality Moles Al 3.968e-007 3.968e-007 K 2.179e-006 2.179e-006 Si 6.536e-006 6.536e-006 ----------------------------Description of solution---------------------------- pH = 8.212 Charge balance pe = 9.894 Adjusted to redox equilibrium Specific Conductance (uS/cm, 25 oC) = 0 Density (g/cm3) = 0.99705 Activity of water = 1.000 Ionic strength = 2.185e-006 Mass of water (kg) = 1.000e+000 Total alkalinity (eq/kg) = 3.369e-006 Total carbon (mol/kg) = 0.000e+000 Total CO2 (mol/kg) = 0.000e+000 Temperature (deg C) = 25.00 Electrical balance (eq) = -1.876e-015 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 13 Total H = 1.110124e+002 Total O = 5.550623e+001 ----------------------------Distribution of species---------------------------- Log Log Log Species Molality Activity Molality Activity Gamma OH- 1.636e-006 1.633e-006 -5.786 -5.787 -0.001 H+ 6.141e-009 6.131e-009 -8.212 -8.212 -0.001 H2O 5.551e+001 1.000e+000 1.744 -0.000 0.000 Al 3.968e-007 Al(OH)4- 3.955e-007 3.948e-007 -6.403 -6.404 -0.001 Al(OH)3 1.284e-009 1.284e-009 -8.891 -8.891 0.000 Al(OH)2+ 5.352e-011 5.343e-011 -10.271 -10.272 -0.001 AlOH+2 4.208e-014 4.179e-014 -13.376 -13.379 -0.003 Al+3 2.620e-017 2.579e-017 -16.582 -16.588 -0.007 H(0) 8.674e-040 H2 4.337e-040 4.337e-040 -39.363 -39.363 0.000 K 2.179e-006 K+ 2.179e-006 2.175e-006 -5.662 -5.663 -0.001 KOH 1.230e-012 1.230e-012 -11.910 -11.910 0.000 O(0) 4.433e-014 O2 2.216e-014 2.216e-014 -13.654 -13.654 0.000 Si 6.536e-006 H4SiO4 6.383e-006 6.383e-006 -5.195 -5.195 0.000 H3SiO4- 1.538e-007 1.535e-007 -6.813 -6.814 -0.001 H2SiO4-2 1.715e-012 1.703e-012 -11.766 -11.769 -0.003 ------------------------------Saturation indices------------------------------- Phase SI log IAP log K(298 K, 1 atm) Al(OH)3(a) -2.75 8.05 10.80 Al(OH)3 Chalcedony -1.64 -5.20 -3.55 SiO2 Gibbsite 0.00 8.05 8.05 Al(OH)3 H2(g) -36.21 -39.36 -3.15 H2 H2O(g) -1.51 -0.00 1.51 H2O K-feldspar -5.86 -4.99 0.88 KAlSi3O8 K-mica -1.86 11.11 12.97 KAl3Si3O10(OH)2 Kaolinite 0.00 5.71 5.71 Al2Si2O5(OH)4 O2(g) -10.76 -13.65 -2.89 O2 Quartz -1.21 -5.20 -3.98 SiO2 SiO2(a) -2.48 -5.20 -2.71 SiO2 ------------------ End of simulation. ------------------ ------------------------------------ Reading input data for simulation 4. ------------------------------------ TITLE Example 6A3.--Find amount of K-feldspar dissolved to reach K-mica saturation. USE solution 1 EQUILIBRIUM_PHASES 1 Gibbsite 0.0 0.0 Kaolinite 0.0 0.0 K-mica 0.0 KAlSi3O8 10.0 K-feldspar 0.0 0.0 END ----- TITLE ----- Example 6A3.--Find amount of K-feldspar dissolved to reach K-mica saturation. ----------------------------------------- Beginning of batch-reaction calculations. ----------------------------------------- Reaction step 1. Using solution 1. PURE WATER Using pure phase assemblage 1. -------------------------------Phase assemblage-------------------------------- Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta Gibbsite -0.73 7.32 8.05 0.000e+000 0 0.000e+000 K-feldspar -2.55 -1.67 0.88 0.000e+000 0 0.000e+000 K-mica 0.00 12.97 12.97 KAlSi3O8 is reactant 1.000e+001 1.000e+001 -2.001e-005 Kaolinite 0.00 5.71 5.71 0.000e+000 9.715e-006 9.715e-006 -----------------------------Solution composition------------------------------ Elements Molality Moles Al 5.851e-007 5.851e-007 K 2.001e-005 2.001e-005 Si 4.062e-005 4.061e-005 ----------------------------Description of solution---------------------------- pH = 9.109 Charge balance pe = 9.063 Adjusted to redox equilibrium Specific Conductance (uS/cm, 25 oC) = 4 Density (g/cm3) = 0.99705 Activity of water = 1.000 Ionic strength = 2.002e-005 Mass of water (kg) = 1.000e+000 Total alkalinity (eq/kg) = 2.177e-005 Total carbon (mol/kg) = 0.000e+000 Total CO2 (mol/kg) = 0.000e+000 Temperature (deg C) = 25.00 Electrical balance (eq) = 2.710e-015 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 13 Total H = 1.110124e+002 Total O = 5.550629e+001 ----------------------------Distribution of species---------------------------- Log Log Log Species Molality Activity Molality Activity Gamma OH- 1.293e-005 1.286e-005 -4.888 -4.891 -0.002 H+ 7.822e-010 7.782e-010 -9.107 -9.109 -0.002 H2O 5.551e+001 1.000e+000 1.744 -0.000 0.000 Al 5.851e-007 Al(OH)4- 5.849e-007 5.818e-007 -6.233 -6.235 -0.002 Al(OH)3 2.402e-010 2.402e-010 -9.619 -9.619 0.000 Al(OH)2+ 1.275e-012 1.269e-012 -11.894 -11.897 -0.002 AlOH+2 1.286e-016 1.260e-016 -15.891 -15.900 -0.009 Al+3 1.034e-020 9.870e-021 -19.985 -20.006 -0.020 H(0) 6.411e-040 H2 3.206e-040 3.206e-040 -39.494 -39.494 0.000 K 2.001e-005 K+ 2.001e-005 1.991e-005 -4.699 -4.701 -0.002 KOH 8.871e-011 8.872e-011 -10.052 -10.052 0.000 O(0) 8.113e-014 O2 4.057e-014 4.057e-014 -13.392 -13.392 0.000 Si 4.062e-005 H4SiO4 3.412e-005 3.412e-005 -4.467 -4.467 0.000 H3SiO4- 6.498e-006 6.464e-006 -5.187 -5.189 -0.002 H2SiO4-2 5.770e-010 5.651e-010 -9.239 -9.248 -0.009 ------------------------------Saturation indices------------------------------- Phase SI log IAP log K(298 K, 1 atm) Al(OH)3(a) -3.48 7.32 10.80 Al(OH)3 Chalcedony -0.92 -4.47 -3.55 SiO2 Gibbsite -0.73 7.32 8.05 Al(OH)3 H2(g) -36.34 -39.49 -3.15 H2 H2O(g) -1.51 -0.00 1.51 H2O K-feldspar -2.55 -1.67 0.88 KAlSi3O8 K-mica 0.00 12.97 12.97 KAl3Si3O10(OH)2 Kaolinite 0.00 5.71 5.71 Al2Si2O5(OH)4 O2(g) -10.50 -13.39 -2.89 O2 Quartz -0.49 -4.47 -3.98 SiO2 SiO2(a) -1.76 -4.47 -2.71 SiO2 ------------------ End of simulation. ------------------ ------------------------------------ Reading input data for simulation 5. ------------------------------------ TITLE Example 6A4.--Find amount of K-feldspar dissolved to reach K-feldspar saturation. USE solution 1 EQUILIBRIUM_PHASES 1 Gibbsite 0.0 0.0 Kaolinite 0.0 0.0 K-mica 0.0 0.0 K-feldspar 0.0 KAlSi3O8 10.0 END ----- TITLE ----- Example 6A4.--Find amount of K-feldspar dissolved to reach K-feldspar saturation. ----------------------------------------- Beginning of batch-reaction calculations. ----------------------------------------- Reaction step 1. Using solution 1. PURE WATER Using pure phase assemblage 1. -------------------------------Phase assemblage-------------------------------- Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta Gibbsite -2.00 6.05 8.05 0.000e+000 0 0.000e+000 K-feldspar 0.00 0.88 0.88 KAlSi3O8 is reactant 1.000e+001 1.000e+001 -1.909e-004 K-mica -0.00 12.97 12.97 0.000e+000 6.361e-005 6.361e-005 Kaolinite -0.72 4.99 5.71 0.000e+000 0 0.000e+000 -----------------------------Solution composition------------------------------ Elements Molality Moles Al 5.990e-008 5.989e-008 K 1.273e-004 1.273e-004 Si 3.818e-004 3.818e-004 ----------------------------Description of solution---------------------------- pH = 9.389 Charge balance pe = 8.719 Adjusted to redox equilibrium Specific Conductance (uS/cm, 25 oC) = 14 Density (g/cm3) = 0.99705 Activity of water = 1.000 Ionic strength = 1.273e-004 Mass of water (kg) = 1.000e+000 Total alkalinity (eq/kg) = 1.275e-004 Total carbon (mol/kg) = 0.000e+000 Total CO2 (mol/kg) = 0.000e+000 Temperature (deg C) = 25.00 Electrical balance (eq) = -3.063e-014 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 15 Total H = 1.110123e+002 Total O = 5.550698e+001 ----------------------------Distribution of species---------------------------- Log Log Log Species Molality Activity Molality Activity Gamma OH- 2.486e-005 2.453e-005 -4.605 -4.610 -0.006 H+ 4.133e-010 4.080e-010 -9.384 -9.389 -0.006 H2O 5.551e+001 1.000e+000 1.744 -0.000 0.000 Al 5.990e-008 Al(OH)4- 5.988e-008 5.911e-008 -7.223 -7.228 -0.006 Al(OH)3 1.280e-011 1.280e-011 -10.893 -10.893 0.000 Al(OH)2+ 3.590e-014 3.544e-014 -13.445 -13.451 -0.006 AlOH+2 1.944e-018 1.845e-018 -17.711 -17.734 -0.023 Al+3 8.505e-023 7.579e-023 -22.070 -22.120 -0.050 H(0) 8.588e-040 H2 4.294e-040 4.294e-040 -39.367 -39.367 0.000 K 1.273e-004 K+ 1.273e-004 1.256e-004 -3.895 -3.901 -0.006 KOH 1.067e-009 1.067e-009 -8.972 -8.972 0.000 O(0) 4.521e-014 O2 2.261e-014 2.261e-014 -13.646 -13.646 0.000 Si 3.818e-004 H4SiO4 2.795e-004 2.795e-004 -3.554 -3.554 0.000 H3SiO4- 1.023e-004 1.010e-004 -3.990 -3.996 -0.006 H2SiO4-2 1.774e-008 1.684e-008 -7.751 -7.774 -0.023 ------------------------------Saturation indices------------------------------- Phase SI log IAP log K(298 K, 1 atm) Al(OH)3(a) -4.75 6.05 10.80 Al(OH)3 Chalcedony -0.00 -3.55 -3.55 SiO2 Gibbsite -2.00 6.05 8.05 Al(OH)3 H2(g) -36.22 -39.37 -3.15 H2 H2O(g) -1.51 -0.00 1.51 H2O K-feldspar 0.00 0.88 0.88 KAlSi3O8 K-mica -0.00 12.97 12.97 KAl3Si3O10(OH)2 Kaolinite -0.72 4.99 5.71 Al2Si2O5(OH)4 O2(g) -10.75 -13.65 -2.89 O2 Quartz 0.43 -3.55 -3.98 SiO2 SiO2(a) -0.84 -3.55 -2.71 SiO2 ------------------ End of simulation. ------------------ ------------------------------------ Reading input data for simulation 6. ------------------------------------ TITLE Example 6A5.--Find point with kaolinite present, but no gibbsite. USE solution 1 EQUILIBRIUM_PHASES 1 Gibbsite 0.0 KAlSi3O8 10.0 Kaolinite 0.0 1.0 END ----- TITLE ----- Example 6A5.--Find point with kaolinite present, but no gibbsite. ----------------------------------------- Beginning of batch-reaction calculations. ----------------------------------------- Reaction step 1. Using solution 1. PURE WATER Using pure phase assemblage 1. -------------------------------Phase assemblage-------------------------------- Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta Gibbsite 0.00 8.05 8.05 KAlSi3O8 is reactant 1.000e+001 1.000e+001 -3.023e-006 Kaolinite -0.00 5.71 5.71 1.000e+000 1.000e+000 1.237e-006 -----------------------------Solution composition------------------------------ Elements Molality Moles Al 5.493e-007 5.493e-007 K 3.023e-006 3.023e-006 Si 6.596e-006 6.596e-006 ----------------------------Description of solution---------------------------- pH = 8.354 Charge balance pe = 9.786 Adjusted to redox equilibrium Specific Conductance (uS/cm, 25 oC) = 0 Density (g/cm3) = 0.99705 Activity of water = 1.000 Ionic strength = 3.028e-006 Mass of water (kg) = 1.000e+000 Total alkalinity (eq/kg) = 4.671e-006 Total carbon (mol/kg) = 0.000e+000 Total CO2 (mol/kg) = 0.000e+000 Temperature (deg C) = 25.00 Electrical balance (eq) = -3.020e-018 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 13 Total H = 1.110124e+002 Total O = 5.550623e+001 ----------------------------Distribution of species---------------------------- Log Log Log Species Molality Activity Molality Activity Gamma OH- 2.267e-006 2.262e-006 -5.645 -5.646 -0.001 H+ 4.435e-009 4.426e-009 -8.353 -8.354 -0.001 H2O 5.551e+001 1.000e+000 1.744 -0.000 0.000 Al 5.493e-007 Al(OH)4- 5.480e-007 5.469e-007 -6.261 -6.262 -0.001 Al(OH)3 1.284e-009 1.284e-009 -8.891 -8.891 0.000 Al(OH)2+ 3.865e-011 3.857e-011 -10.413 -10.414 -0.001 AlOH+2 2.196e-014 2.178e-014 -13.658 -13.662 -0.004 Al+3 9.882e-018 9.704e-018 -17.005 -17.013 -0.008 H(0) 7.444e-040 H2 3.722e-040 3.722e-040 -39.429 -39.429 0.000 K 3.023e-006 K+ 3.023e-006 3.017e-006 -5.520 -5.520 -0.001 KOH 2.364e-012 2.364e-012 -11.626 -11.626 0.000 O(0) 6.019e-014 O2 3.009e-014 3.009e-014 -13.522 -13.522 0.000 Si 6.596e-006 H4SiO4 6.383e-006 6.383e-006 -5.195 -5.195 0.000 H3SiO4- 2.131e-007 2.127e-007 -6.671 -6.672 -0.001 H2SiO4-2 3.295e-012 3.269e-012 -11.482 -11.486 -0.004 ------------------------------Saturation indices------------------------------- Phase SI log IAP log K(298 K, 1 atm) Al(OH)3(a) -2.75 8.05 10.80 Al(OH)3 Chalcedony -1.64 -5.20 -3.55 SiO2 Gibbsite 0.00 8.05 8.05 Al(OH)3 H2(g) -36.28 -39.43 -3.15 H2 H2O(g) -1.51 -0.00 1.51 H2O K-feldspar -5.58 -4.70 0.88 KAlSi3O8 K-mica -1.57 11.40 12.97 KAl3Si3O10(OH)2 Kaolinite -0.00 5.71 5.71 Al2Si2O5(OH)4 O2(g) -10.63 -13.52 -2.89 O2 Quartz -1.21 -5.20 -3.98 SiO2 SiO2(a) -2.48 -5.20 -2.71 SiO2 ------------------ End of simulation. ------------------ ------------------------------------ Reading input data for simulation 7. ------------------------------------ TITLE Example 6A6.--Find point with K-mica present, but no kaolinite USE solution 1 EQUILIBRIUM_PHASES 1 Kaolinite 0.0 KAlSi3O8 10.0 K-mica 0.0 1.0 END ----- TITLE ----- Example 6A6.--Find point with K-mica present, but no kaolinite ----------------------------------------- Beginning of batch-reaction calculations. ----------------------------------------- Reaction step 1. Using solution 1. PURE WATER Using pure phase assemblage 1. -------------------------------Phase assemblage-------------------------------- Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta K-mica 0.00 12.97 12.97 1.000e+000 1.000e+000 1.079e-005 Kaolinite 0.00 5.71 5.71 KAlSi3O8 is reactant 1.000e+001 1.000e+001 -3.268e-005 -----------------------------Solution composition------------------------------ Elements Molality Moles Al 3.263e-007 3.263e-007 K 2.190e-005 2.190e-005 Si 6.569e-005 6.569e-005 ----------------------------Description of solution---------------------------- pH = 9.070 Charge balance pe = 8.836 Adjusted to redox equilibrium Specific Conductance (uS/cm, 25 oC) = 3 Density (g/cm3) = 0.99705 Activity of water = 1.000 Ionic strength = 2.190e-005 Mass of water (kg) = 1.000e+000 Total alkalinity (eq/kg) = 2.288e-005 Total carbon (mol/kg) = 0.000e+000 Total CO2 (mol/kg) = 0.000e+000 Temperature (deg C) = 25.00 Electrical balance (eq) = -3.158e-018 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 13 Total H = 1.110124e+002 Total O = 5.550635e+001 ----------------------------Distribution of species---------------------------- Log Log Log Species Molality Activity Molality Activity Gamma OH- 1.183e-005 1.176e-005 -4.927 -4.930 -0.002 H+ 8.558e-010 8.512e-010 -9.068 -9.070 -0.002 H2O 5.551e+001 1.000e+000 1.744 -0.000 0.000 Al 3.263e-007 Al(OH)4- 3.262e-007 3.244e-007 -6.487 -6.489 -0.002 Al(OH)3 1.465e-010 1.465e-010 -9.834 -9.834 0.000 Al(OH)2+ 8.509e-013 8.463e-013 -12.070 -12.072 -0.002 AlOH+2 9.393e-017 9.191e-017 -16.027 -16.037 -0.009 Al+3 8.269e-021 7.876e-021 -20.083 -20.104 -0.021 H(0) 2.179e-039 H2 1.089e-039 1.089e-039 -38.963 -38.963 0.000 K 2.190e-005 K+ 2.190e-005 2.178e-005 -4.660 -4.662 -0.002 KOH 8.871e-011 8.872e-011 -10.052 -10.052 0.000 O(0) 7.024e-015 O2 3.512e-015 3.512e-015 -14.454 -14.454 0.000 Si 6.569e-005 H4SiO4 5.595e-005 5.595e-005 -4.252 -4.252 0.000 H3SiO4- 9.745e-006 9.692e-006 -5.011 -5.014 -0.002 H2SiO4-2 7.916e-010 7.745e-010 -9.101 -9.111 -0.009 ------------------------------Saturation indices------------------------------- Phase SI log IAP log K(298 K, 1 atm) Al(OH)3(a) -3.69 7.11 10.80 Al(OH)3 Chalcedony -0.70 -4.25 -3.55 SiO2 Gibbsite -0.94 7.11 8.05 Al(OH)3 H2(g) -35.81 -38.96 -3.15 H2 H2O(g) -1.51 -0.00 1.51 H2O K-feldspar -2.12 -1.24 0.88 KAlSi3O8 K-mica 0.00 12.97 12.97 KAl3Si3O10(OH)2 Kaolinite 0.00 5.71 5.71 Al2Si2O5(OH)4 O2(g) -11.56 -14.45 -2.89 O2 Quartz -0.27 -4.25 -3.98 SiO2 SiO2(a) -1.54 -4.25 -2.71 SiO2 ------------------ End of simulation. ------------------ ------------------------------------ Reading input data for simulation 8. ------------------------------------ TITLE Example 6B.--Path between phase boundaries. USE solution 1 EQUILIBRIUM_PHASES 1 Kaolinite 0.0 0.0 Gibbsite 0.0 0.0 K-mica 0.0 0.0 K-feldspar 0.0 0.0 REACTION 1 K-feldspar 1.0 0.04 0.08 0.16 0.32 0.64 1.0 2.0 4.0 8.0 16.0 32.0 64.0 100 200 umol USER_GRAPH -headings 6B--Increments 10 PLOT_XY LA("H4SiO4"),(LA("K+")-LA("H+")), color = Blue, line_w = 0, symbol = XCross, symbol_size = 7 END ----- TITLE ----- Example 6B.--Path between phase boundaries. ----------------------------------------- Beginning of batch-reaction calculations. ----------------------------------------- Reaction step 1. Using solution 1. PURE WATER Using pure phase assemblage 1. Using reaction 1. Reaction 1. Irreversible reaction defined in simulation 8. 4.000e-008 moles of the following reaction have been added: Relative Reactant moles K-feldspar 1.00000 Relative Element moles Al 1.00000 K 1.00000 O 8.00000 Si 3.00000 -------------------------------Phase assemblage-------------------------------- Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta Gibbsite 0.00 8.05 8.05 0.000e+000 1.187e-008 1.187e-008 K-feldspar -13.96 -13.08 0.88 0.000e+000 0 0.000e+000 K-mica -9.95 3.02 12.97 0.000e+000 0 0.000e+000 Kaolinite -3.45 2.25 5.71 0.000e+000 0 0.000e+000 -----------------------------Solution composition------------------------------ Elements Molality Moles Al 2.813e-008 2.813e-008 K 4.000e-008 4.000e-008 Si 1.200e-007 1.200e-007 ----------------------------Description of solution---------------------------- pH = 7.031 Charge balance pe = 11.457 Adjusted to redox equilibrium Specific Conductance (uS/cm, 25 oC) = 0 Density (g/cm3) = 0.99705 Activity of water = 1.000 Ionic strength = 1.339e-007 Mass of water (kg) = 1.000e+000 Total alkalinity (eq/kg) = 1.244e-007 Total carbon (mol/kg) = 0.000e+000 Total CO2 (mol/kg) = 0.000e+000 Temperature (deg C) = 25.00 Electrical balance (eq) = -2.760e-018 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 9 Total H = 1.110124e+002 Total O = 5.550622e+001 ----------------------------Distribution of species---------------------------- Log Log Log Species Molality Activity Molality Activity Gamma OH- 1.077e-007 1.076e-007 -6.968 -6.968 -0.000 H+ 9.306e-008 9.302e-008 -7.031 -7.031 -0.000 H2O 5.551e+001 1.000e+000 1.744 -0.000 0.000 Al 2.813e-008 Al(OH)4- 2.603e-008 2.602e-008 -7.585 -7.585 -0.000 Al(OH)3 1.284e-009 1.284e-009 -8.891 -8.891 0.000 Al(OH)2+ 8.110e-010 8.107e-010 -9.091 -9.091 -0.000 AlOH+2 9.638e-012 9.621e-012 -11.016 -11.017 -0.001 Al+3 9.044e-014 9.009e-014 -13.044 -13.045 -0.002 H(0) 0.000e+000 H2 0.000e+000 0.000e+000 -40.127 -40.127 0.000 K 4.000e-008 K+ 4.000e-008 3.998e-008 -7.398 -7.398 -0.000 KOH 1.490e-015 1.490e-015 -14.827 -14.827 0.000 O(0) 1.494e-012 O2 7.470e-013 7.470e-013 -12.127 -12.127 0.000 Si 1.200e-007 H4SiO4 1.198e-007 1.198e-007 -6.922 -6.922 0.000 H3SiO4- 1.900e-010 1.899e-010 -9.721 -9.721 -0.000 H2SiO4-2 1.391e-016 1.389e-016 -15.857 -15.857 -0.001 ------------------------------Saturation indices------------------------------- Phase SI log IAP log K(298 K, 1 atm) Al(OH)3(a) -2.75 8.05 10.80 Al(OH)3 Chalcedony -3.37 -6.92 -3.55 SiO2 Gibbsite 0.00 8.05 8.05 Al(OH)3 H2(g) -36.98 -40.13 -3.15 H2 H2O(g) -1.51 -0.00 1.51 H2O K-feldspar -13.96 -13.08 0.88 KAlSi3O8 K-mica -9.95 3.02 12.97 KAl3Si3O10(OH)2 Kaolinite -3.45 2.25 5.71 Al2Si2O5(OH)4 O2(g) -9.23 -12.13 -2.89 O2 Quartz -2.94 -6.92 -3.98 SiO2 SiO2(a) -4.21 -6.92 -2.71 SiO2 Reaction step 2. Using solution 1. PURE WATER Using pure phase assemblage 1. Using reaction 1. Reaction 1. Irreversible reaction defined in simulation 8. 8.000e-008 moles of the following reaction have been added: Relative Reactant moles K-feldspar 1.00000 Relative Element moles Al 1.00000 K 1.00000 O 8.00000 Si 3.00000 -------------------------------Phase assemblage-------------------------------- Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta Gibbsite -0.00 8.05 8.05 0.000e+000 4.713e-008 4.713e-008 K-feldspar -12.68 -11.80 0.88 0.000e+000 0 0.000e+000 K-mica -8.68 4.29 12.97 0.000e+000 0 0.000e+000 Kaolinite -2.85 2.86 5.71 0.000e+000 0 0.000e+000 -----------------------------Solution composition------------------------------ Elements Molality Moles Al 3.287e-008 3.287e-008 K 8.000e-008 8.000e-008 Si 2.400e-007 2.400e-007 ----------------------------Description of solution---------------------------- pH = 7.106 Charge balance pe = 11.288 Adjusted to redox equilibrium Specific Conductance (uS/cm, 25 oC) = 0 Density (g/cm3) = 0.99705 Activity of water = 1.000 Ionic strength = 1.591e-007 Mass of water (kg) = 1.000e+000 Total alkalinity (eq/kg) = 1.786e-007 Total carbon (mol/kg) = 0.000e+000 Total CO2 (mol/kg) = 0.000e+000 Temperature (deg C) = 25.00 Electrical balance (eq) = -3.119e-018 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 10 Total H = 1.110124e+002 Total O = 5.550622e+001 ----------------------------Distribution of species---------------------------- Log Log Log Species Molality Activity Molality Activity Gamma OH- 1.278e-007 1.277e-007 -6.894 -6.894 -0.000 H+ 7.842e-008 7.838e-008 -7.106 -7.106 -0.000 H2O 5.551e+001 1.000e+000 1.744 -0.000 0.000 Al 3.287e-008 Al(OH)4- 3.089e-008 3.088e-008 -7.510 -7.510 -0.000 Al(OH)3 1.284e-009 1.284e-009 -8.891 -8.891 0.000 Al(OH)2+ 6.834e-010 6.831e-010 -9.165 -9.166 -0.000 AlOH+2 6.845e-012 6.832e-012 -11.165 -11.165 -0.001 Al+3 5.414e-014 5.391e-014 -13.267 -13.268 -0.002 H(0) 2.308e-040 H2 1.154e-040 1.154e-040 -39.938 -39.938 0.000 K 8.000e-008 K+ 8.000e-008 7.996e-008 -7.097 -7.097 -0.000 KOH 3.537e-015 3.537e-015 -14.451 -14.451 0.000 O(0) 6.262e-013 O2 3.131e-013 3.131e-013 -12.504 -12.504 0.000 Si 2.400e-007 H4SiO4 2.395e-007 2.395e-007 -6.621 -6.621 0.000 H3SiO4- 4.508e-010 4.506e-010 -9.346 -9.346 -0.000 H2SiO4-2 3.918e-016 3.911e-016 -15.407 -15.408 -0.001 ------------------------------Saturation indices------------------------------- Phase SI log IAP log K(298 K, 1 atm) Al(OH)3(a) -2.75 8.05 10.80 Al(OH)3 Chalcedony -3.07 -6.62 -3.55 SiO2 Gibbsite -0.00 8.05 8.05 Al(OH)3 H2(g) -36.79 -39.94 -3.15 H2 H2O(g) -1.51 -0.00 1.51 H2O K-feldspar -12.68 -11.80 0.88 KAlSi3O8 K-mica -8.68 4.29 12.97 KAl3Si3O10(OH)2 Kaolinite -2.85 2.86 5.71 Al2Si2O5(OH)4 O2(g) -9.61 -12.50 -2.89 O2 Quartz -2.64 -6.62 -3.98 SiO2 SiO2(a) -3.91 -6.62 -2.71 SiO2 Reaction step 3. Using solution 1. PURE WATER Using pure phase assemblage 1. Using reaction 1. Reaction 1. Irreversible reaction defined in simulation 8. 1.600e-007 moles of the following reaction have been added: Relative Reactant moles K-feldspar 1.00000 Relative Element moles Al 1.00000 K 1.00000 O 8.00000 Si 3.00000 -------------------------------Phase assemblage-------------------------------- Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta Gibbsite 0.00 8.05 8.05 0.000e+000 1.160e-007 1.160e-007 K-feldspar -11.34 -10.47 0.88 0.000e+000 0 0.000e+000 K-mica -7.34 5.63 12.97 0.000e+000 0 0.000e+000 Kaolinite -2.25 3.46 5.71 0.000e+000 0 0.000e+000 -----------------------------Solution composition------------------------------ Elements Molality Moles Al 4.398e-008 4.398e-008 K 1.600e-007 1.600e-007 Si 4.800e-007 4.800e-007 ----------------------------Description of solution---------------------------- pH = 7.241 Charge balance pe = 11.241 Adjusted to redox equilibrium Specific Conductance (uS/cm, 25 oC) = 0 Density (g/cm3) = 0.99705 Activity of water = 1.000 Ionic strength = 2.179e-007 Mass of water (kg) = 1.000e+000 Total alkalinity (eq/kg) = 2.919e-007 Total carbon (mol/kg) = 0.000e+000 Total CO2 (mol/kg) = 0.000e+000 Temperature (deg C) = 25.00 Electrical balance (eq) = -3.323e-018 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 10 Total H = 1.110124e+002 Total O = 5.550622e+001 ----------------------------Distribution of species---------------------------- Log Log Log Species Molality Activity Molality Activity Gamma OH- 1.745e-007 1.744e-007 -6.758 -6.758 -0.000 H+ 5.743e-008 5.740e-008 -7.241 -7.241 -0.000 H2O 5.551e+001 1.000e+000 1.744 -0.000 0.000 Al 4.398e-008 Al(OH)4- 4.219e-008 4.217e-008 -7.375 -7.375 -0.000 Al(OH)3 1.284e-009 1.284e-009 -8.891 -8.891 0.000 Al(OH)2+ 5.005e-010 5.002e-010 -9.301 -9.301 -0.000 AlOH+2 3.671e-012 3.663e-012 -11.435 -11.436 -0.001 Al+3 2.127e-014 2.117e-014 -13.672 -13.674 -0.002 H(0) 0.000e+000 H2 0.000e+000 0.000e+000 -40.113 -40.113 0.000 K 1.600e-007 K+ 1.600e-007 1.599e-007 -6.796 -6.796 -0.000 KOH 9.661e-015 9.661e-015 -14.015 -14.015 0.000 O(0) 1.405e-012 O2 7.025e-013 7.025e-013 -12.153 -12.153 0.000 Si 4.800e-007 H4SiO4 4.788e-007 4.788e-007 -6.320 -6.320 0.000 H3SiO4- 1.231e-009 1.230e-009 -8.910 -8.910 -0.000 H2SiO4-2 1.461e-015 1.458e-015 -14.835 -14.836 -0.001 ------------------------------Saturation indices------------------------------- Phase SI log IAP log K(298 K, 1 atm) Al(OH)3(a) -2.75 8.05 10.80 Al(OH)3 Chalcedony -2.77 -6.32 -3.55 SiO2 Gibbsite 0.00 8.05 8.05 Al(OH)3 H2(g) -36.96 -40.11 -3.15 H2 H2O(g) -1.51 -0.00 1.51 H2O K-feldspar -11.34 -10.47 0.88 KAlSi3O8 K-mica -7.34 5.63 12.97 KAl3Si3O10(OH)2 Kaolinite -2.25 3.46 5.71 Al2Si2O5(OH)4 O2(g) -9.26 -12.15 -2.89 O2 Quartz -2.34 -6.32 -3.98 SiO2 SiO2(a) -3.61 -6.32 -2.71 SiO2 Reaction step 4. Using solution 1. PURE WATER Using pure phase assemblage 1. Using reaction 1. Reaction 1. Irreversible reaction defined in simulation 8. 3.200e-007 moles of the following reaction have been added: Relative Reactant moles K-feldspar 1.00000 Relative Element moles Al 1.00000 K 1.00000 O 8.00000 Si 3.00000 -------------------------------Phase assemblage-------------------------------- Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta Gibbsite 0.00 8.05 8.05 0.000e+000 2.499e-007 2.499e-007 K-feldspar -9.93 -9.05 0.88 0.000e+000 0 0.000e+000 K-mica -5.93 7.04 12.97 0.000e+000 0 0.000e+000 Kaolinite -1.65 4.06 5.71 0.000e+000 0 0.000e+000 -----------------------------Solution composition------------------------------ Elements Molality Moles Al 7.007e-008 7.007e-008 K 3.200e-007 3.200e-007 Si 9.600e-007 9.600e-007 ----------------------------Description of solution---------------------------- pH = 7.451 Charge balance pe = 11.188 Adjusted to redox equilibrium Specific Conductance (uS/cm, 25 oC) = 0 Density (g/cm3) = 0.99705 Activity of water = 1.000 Ionic strength = 3.557e-007 Mass of water (kg) = 1.000e+000 Total alkalinity (eq/kg) = 5.302e-007 Total carbon (mol/kg) = 0.000e+000 Total CO2 (mol/kg) = 0.000e+000 Temperature (deg C) = 25.00 Electrical balance (eq) = -1.281e-015 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 10 Total H = 1.110124e+002 Total O = 5.550622e+001 ----------------------------Distribution of species---------------------------- Log Log Log Species Molality Activity Molality Activity Gamma OH- 2.832e-007 2.830e-007 -6.548 -6.548 -0.000 H+ 3.539e-008 3.537e-008 -7.451 -7.451 -0.000 H2O 5.551e+001 1.000e+000 1.744 -0.000 0.000 Al 7.007e-008 Al(OH)4- 6.848e-008 6.843e-008 -7.164 -7.165 -0.000 Al(OH)3 1.284e-009 1.284e-009 -8.891 -8.891 0.000 Al(OH)2+ 3.085e-010 3.082e-010 -9.511 -9.511 -0.000 AlOH+2 1.395e-012 1.391e-012 -11.855 -11.857 -0.001 Al+3 4.984e-015 4.953e-015 -14.302 -14.305 -0.003 H(0) 0.000e+000 H2 0.000e+000 0.000e+000 -40.429 -40.429 0.000 K 3.200e-007 K+ 3.200e-007 3.198e-007 -6.495 -6.495 -0.000 KOH 3.135e-014 3.135e-014 -13.504 -13.504 0.000 O(0) 6.000e-012 O2 3.000e-012 3.000e-012 -11.523 -11.523 0.000 Si 9.600e-007 H4SiO4 9.560e-007 9.560e-007 -6.020 -6.020 0.000 H3SiO4- 3.988e-009 3.986e-009 -8.399 -8.400 -0.000 H2SiO4-2 7.687e-015 7.665e-015 -14.114 -14.115 -0.001 ------------------------------Saturation indices------------------------------- Phase SI log IAP log K(298 K, 1 atm) Al(OH)3(a) -2.75 8.05 10.80 Al(OH)3 Chalcedony -2.47 -6.02 -3.55 SiO2 Gibbsite 0.00 8.05 8.05 Al(OH)3 H2(g) -37.28 -40.43 -3.15 H2 H2O(g) -1.51 -0.00 1.51 H2O K-feldspar -9.93 -9.05 0.88 KAlSi3O8 K-mica -5.93 7.04 12.97 KAl3Si3O10(OH)2 Kaolinite -1.65 4.06 5.71 Al2Si2O5(OH)4 O2(g) -8.63 -11.52 -2.89 O2 Quartz -2.04 -6.02 -3.98 SiO2 SiO2(a) -3.31 -6.02 -2.71 SiO2 Reaction step 5. Using solution 1. PURE WATER Using pure phase assemblage 1. Using reaction 1. Reaction 1. Irreversible reaction defined in simulation 8. 6.400e-007 moles of the following reaction have been added: Relative Reactant moles K-feldspar 1.00000 Relative Element moles Al 1.00000 K 1.00000 O 8.00000 Si 3.00000 -------------------------------Phase assemblage-------------------------------- Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta Gibbsite 0.00 8.05 8.05 0.000e+000 5.130e-007 5.130e-007 K-feldspar -8.47 -7.59 0.88 0.000e+000 0 0.000e+000 K-mica -4.46 8.51 12.97 0.000e+000 0 0.000e+000 Kaolinite -1.05 4.66 5.71 0.000e+000 0 0.000e+000 -----------------------------Solution composition------------------------------ Elements Molality Moles Al 1.270e-007 1.270e-007 K 6.400e-007 6.400e-007 Si 1.920e-006 1.920e-006 ----------------------------Description of solution---------------------------- pH = 7.715 Charge balance pe = 10.994 Adjusted to redox equilibrium Specific Conductance (uS/cm, 25 oC) = 0 Density (g/cm3) = 0.99705 Activity of water = 1.000 Ionic strength = 6.595e-007 Mass of water (kg) = 1.000e+000 Total alkalinity (eq/kg) = 1.021e-006 Total carbon (mol/kg) = 0.000e+000 Total CO2 (mol/kg) = 0.000e+000 Temperature (deg C) = 25.00 Electrical balance (eq) = -5.096e-015 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 10 Total H = 1.110124e+002 Total O = 5.550622e+001 ----------------------------Distribution of species---------------------------- Log Log Log Species Molality Activity Molality Activity Gamma OH- 5.193e-007 5.189e-007 -6.285 -6.285 -0.000 H+ 1.931e-008 1.929e-008 -7.714 -7.715 -0.000 H2O 5.551e+001 1.000e+000 1.744 -0.000 0.000 Al 1.270e-007 Al(OH)4- 1.256e-007 1.254e-007 -6.901 -6.902 -0.000 Al(OH)3 1.284e-009 1.284e-009 -8.891 -8.891 0.000 Al(OH)2+ 1.683e-010 1.681e-010 -9.774 -9.774 -0.000 AlOH+2 4.155e-013 4.139e-013 -12.381 -12.383 -0.002 Al+3 8.109e-016 8.040e-016 -15.091 -15.095 -0.004 H(0) 0.000e+000 H2 0.000e+000 0.000e+000 -40.567 -40.567 0.000 K 6.400e-007 K+ 6.400e-007 6.394e-007 -6.194 -6.194 -0.000 KOH 1.149e-013 1.149e-013 -12.940 -12.940 0.000 O(0) 1.135e-011 O2 5.673e-012 5.673e-012 -11.246 -11.246 0.000 Si 1.920e-006 H4SiO4 1.905e-006 1.905e-006 -5.720 -5.720 0.000 H3SiO4- 1.458e-008 1.456e-008 -7.836 -7.837 -0.000 H2SiO4-2 5.153e-014 5.134e-014 -13.288 -13.290 -0.002 ------------------------------Saturation indices------------------------------- Phase SI log IAP log K(298 K, 1 atm) Al(OH)3(a) -2.75 8.05 10.80 Al(OH)3 Chalcedony -2.17 -5.72 -3.55 SiO2 Gibbsite 0.00 8.05 8.05 Al(OH)3 H2(g) -37.42 -40.57 -3.15 H2 H2O(g) -1.51 -0.00 1.51 H2O K-feldspar -8.47 -7.59 0.88 KAlSi3O8 K-mica -4.46 8.51 12.97 KAl3Si3O10(OH)2 Kaolinite -1.05 4.66 5.71 Al2Si2O5(OH)4 O2(g) -8.35 -11.25 -2.89 O2 Quartz -1.74 -5.72 -3.98 SiO2 SiO2(a) -3.01 -5.72 -2.71 SiO2 Reaction step 6. Using solution 1. PURE WATER Using pure phase assemblage 1. Using reaction 1. Reaction 1. Irreversible reaction defined in simulation 8. 1.000e-006 moles of the following reaction have been added: Relative Reactant moles K-feldspar 1.00000 Relative Element moles Al 1.00000 K 1.00000 O 8.00000 Si 3.00000 -------------------------------Phase assemblage-------------------------------- Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta Gibbsite 0.00 8.05 8.05 0.000e+000 8.081e-007 8.081e-007 K-feldspar -7.51 -6.64 0.88 0.000e+000 0 0.000e+000 K-mica -3.51 9.46 12.97 0.000e+000 0 0.000e+000 Kaolinite -0.67 5.04 5.71 0.000e+000 0 0.000e+000 -----------------------------Solution composition------------------------------ Elements Molality Moles Al 1.919e-007 1.919e-007 K 1.000e-006 1.000e-006 Si 3.000e-006 3.000e-006 ----------------------------Description of solution---------------------------- pH = 7.896 Charge balance pe = 10.790 Adjusted to redox equilibrium Specific Conductance (uS/cm, 25 oC) = 0 Density (g/cm3) = 0.99705 Activity of water = 1.000 Ionic strength = 1.013e-006 Mass of water (kg) = 1.000e+000 Total alkalinity (eq/kg) = 1.576e-006 Total carbon (mol/kg) = 0.000e+000 Total CO2 (mol/kg) = 0.000e+000 Temperature (deg C) = 25.00 Electrical balance (eq) = -2.466e-017 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 11 Total H = 1.110124e+002 Total O = 5.550622e+001 ----------------------------Distribution of species---------------------------- Log Log Log Species Molality Activity Molality Activity Gamma OH- 7.879e-007 7.870e-007 -6.104 -6.104 -0.001 H+ 1.274e-008 1.272e-008 -7.895 -7.896 -0.001 H2O 5.551e+001 1.000e+000 1.744 -0.000 0.000 Al 1.919e-007 Al(OH)4- 1.905e-007 1.903e-007 -6.720 -6.721 -0.001 Al(OH)3 1.284e-009 1.284e-009 -8.891 -8.891 0.000 Al(OH)2+ 1.110e-010 1.109e-010 -9.955 -9.955 -0.001 AlOH+2 1.808e-013 1.799e-013 -12.743 -12.745 -0.002 Al+3 2.328e-016 2.304e-016 -15.633 -15.638 -0.005 H(0) 0.000e+000 H2 0.000e+000 0.000e+000 -40.520 -40.520 0.000 K 1.000e-006 K+ 1.000e-006 9.988e-007 -6.000 -6.001 -0.001 KOH 2.723e-013 2.723e-013 -12.565 -12.565 0.000 O(0) 9.161e-012 O2 4.580e-012 4.580e-012 -11.339 -11.339 0.000 Si 3.000e-006 H4SiO4 2.966e-006 2.966e-006 -5.528 -5.528 0.000 H3SiO4- 3.442e-008 3.438e-008 -7.463 -7.464 -0.001 H2SiO4-2 1.847e-013 1.838e-013 -12.734 -12.736 -0.002 ------------------------------Saturation indices------------------------------- Phase SI log IAP log K(298 K, 1 atm) Al(OH)3(a) -2.75 8.05 10.80 Al(OH)3 Chalcedony -1.98 -5.53 -3.55 SiO2 Gibbsite 0.00 8.05 8.05 Al(OH)3 H2(g) -37.37 -40.52 -3.15 H2 H2O(g) -1.51 -0.00 1.51 H2O K-feldspar -7.51 -6.64 0.88 KAlSi3O8 K-mica -3.51 9.46 12.97 KAl3Si3O10(OH)2 Kaolinite -0.67 5.04 5.71 Al2Si2O5(OH)4 O2(g) -8.45 -11.34 -2.89 O2 Quartz -1.55 -5.53 -3.98 SiO2 SiO2(a) -2.82 -5.53 -2.71 SiO2 Reaction step 7. Using solution 1. PURE WATER Using pure phase assemblage 1. Using reaction 1. Reaction 1. Irreversible reaction defined in simulation 8. 2.000e-006 moles of the following reaction have been added: Relative Reactant moles K-feldspar 1.00000 Relative Element moles Al 1.00000 K 1.00000 O 8.00000 Si 3.00000 -------------------------------Phase assemblage-------------------------------- Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta Gibbsite -0.00 8.05 8.05 0.000e+000 1.633e-006 1.633e-006 K-feldspar -6.04 -5.17 0.88 0.000e+000 0 0.000e+000 K-mica -2.04 10.93 12.97 0.000e+000 0 0.000e+000 Kaolinite -0.07 5.64 5.71 0.000e+000 0 0.000e+000 -----------------------------Solution composition------------------------------ Elements Molality Moles Al 3.666e-007 3.666e-007 K 2.000e-006 2.000e-006 Si 6.000e-006 6.000e-006 ----------------------------Description of solution---------------------------- pH = 8.178 Charge balance pe = 10.425 Adjusted to redox equilibrium Specific Conductance (uS/cm, 25 oC) = 0 Density (g/cm3) = 0.99705 Activity of water = 1.000 Ionic strength = 2.007e-006 Mass of water (kg) = 1.000e+000 Total alkalinity (eq/kg) = 3.100e-006 Total carbon (mol/kg) = 0.000e+000 Total CO2 (mol/kg) = 0.000e+000 Temperature (deg C) = 25.00 Electrical balance (eq) = -3.119e-018 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 12 Total H = 1.110124e+002 Total O = 5.550623e+001 ----------------------------Distribution of species---------------------------- Log Log Log Species Molality Activity Molality Activity Gamma OH- 1.511e-006 1.508e-006 -5.821 -5.822 -0.001 H+ 6.648e-009 6.637e-009 -8.177 -8.178 -0.001 H2O 5.551e+001 1.000e+000 1.744 -0.000 0.000 Al 3.666e-007 Al(OH)4- 3.653e-007 3.647e-007 -6.437 -6.438 -0.001 Al(OH)3 1.284e-009 1.284e-009 -8.891 -8.891 0.000 Al(OH)2+ 5.794e-011 5.784e-011 -10.237 -10.238 -0.001 AlOH+2 4.931e-014 4.898e-014 -13.307 -13.310 -0.003 Al+3 3.322e-017 3.273e-017 -16.479 -16.485 -0.006 H(0) 0.000e+000 H2 0.000e+000 0.000e+000 -40.357 -40.357 0.000 K 2.000e-006 K+ 2.000e-006 1.997e-006 -5.699 -5.700 -0.001 KOH 1.043e-012 1.043e-012 -11.982 -11.982 0.000 O(0) 4.307e-012 O2 2.154e-012 2.154e-012 -11.667 -11.667 0.000 Si 6.000e-006 H4SiO4 5.869e-006 5.869e-006 -5.231 -5.231 0.000 H3SiO4- 1.306e-007 1.304e-007 -6.884 -6.885 -0.001 H2SiO4-2 1.345e-012 1.336e-012 -11.871 -11.874 -0.003 ------------------------------Saturation indices------------------------------- Phase SI log IAP log K(298 K, 1 atm) Al(OH)3(a) -2.75 8.05 10.80 Al(OH)3 Chalcedony -1.68 -5.23 -3.55 SiO2 Gibbsite -0.00 8.05 8.05 Al(OH)3 H2(g) -37.21 -40.36 -3.15 H2 H2O(g) -1.51 -0.00 1.51 H2O K-feldspar -6.04 -5.17 0.88 KAlSi3O8 K-mica -2.04 10.93 12.97 KAl3Si3O10(OH)2 Kaolinite -0.07 5.64 5.71 Al2Si2O5(OH)4 O2(g) -8.77 -11.67 -2.89 O2 Quartz -1.25 -5.23 -3.98 SiO2 SiO2(a) -2.52 -5.23 -2.71 SiO2 Reaction step 8. Using solution 1. PURE WATER Using pure phase assemblage 1. Using reaction 1. Reaction 1. Irreversible reaction defined in simulation 8. 4.000e-006 moles of the following reaction have been added: Relative Reactant moles K-feldspar 1.00000 Relative Element moles Al 1.00000 K 1.00000 O 8.00000 Si 3.00000 -------------------------------Phase assemblage-------------------------------- Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta Gibbsite -0.11 7.94 8.05 0.000e+000 0 0.000e+000 K-feldspar -5.11 -4.23 0.88 0.000e+000 0 0.000e+000 K-mica -1.32 11.65 12.97 0.000e+000 0 0.000e+000 Kaolinite 0.00 5.71 5.71 0.000e+000 1.712e-006 1.712e-006 -----------------------------Solution composition------------------------------ Elements Molality Moles Al 5.761e-007 5.761e-007 K 4.000e-006 4.000e-006 Si 8.576e-006 8.576e-006 ----------------------------Description of solution---------------------------- pH = 8.484 Charge balance pe = 9.432 Adjusted to redox equilibrium Specific Conductance (uS/cm, 25 oC) = 0 Density (g/cm3) = 0.99705 Activity of water = 1.000 Ionic strength = 4.003e-006 Mass of water (kg) = 1.000e+000 Total alkalinity (eq/kg) = 5.728e-006 Total carbon (mol/kg) = 0.000e+000 Total CO2 (mol/kg) = 0.000e+000 Temperature (deg C) = 25.00 Electrical balance (eq) = -4.993e-018 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 12 Total H = 1.110124e+002 Total O = 5.550623e+001 ----------------------------Distribution of species---------------------------- Log Log Log Species Molality Activity Molality Activity Gamma OH- 3.059e-006 3.051e-006 -5.514 -5.516 -0.001 H+ 3.288e-009 3.281e-009 -8.483 -8.484 -0.001 H2O 5.551e+001 1.000e+000 1.744 -0.000 0.000 Al 5.761e-007 Al(OH)4- 5.751e-007 5.737e-007 -6.240 -6.241 -0.001 Al(OH)3 9.987e-010 9.987e-010 -9.001 -9.001 0.000 Al(OH)2+ 2.229e-011 2.224e-011 -10.652 -10.653 -0.001 AlOH+2 9.396e-015 9.309e-015 -14.027 -14.031 -0.004 Al+3 3.140e-018 3.074e-018 -17.503 -17.512 -0.009 H(0) 2.082e-039 H2 1.041e-039 1.041e-039 -38.983 -38.983 0.000 K 4.000e-006 K+ 4.000e-006 3.991e-006 -5.398 -5.399 -0.001 KOH 4.218e-012 4.218e-012 -11.375 -11.375 0.000 O(0) 7.695e-015 O2 3.848e-015 3.848e-015 -14.415 -14.415 0.000 Si 8.576e-006 H4SiO4 8.206e-006 8.206e-006 -5.086 -5.086 0.000 H3SiO4- 3.697e-007 3.688e-007 -6.432 -6.433 -0.001 H2SiO4-2 7.719e-012 7.647e-012 -11.112 -11.116 -0.004 ------------------------------Saturation indices------------------------------- Phase SI log IAP log K(298 K, 1 atm) Al(OH)3(a) -2.86 7.94 10.80 Al(OH)3 Chalcedony -1.53 -5.09 -3.55 SiO2 Gibbsite -0.11 7.94 8.05 Al(OH)3 H2(g) -35.83 -38.98 -3.15 H2 H2O(g) -1.51 -0.00 1.51 H2O K-feldspar -5.11 -4.23 0.88 KAlSi3O8 K-mica -1.32 11.65 12.97 KAl3Si3O10(OH)2 Kaolinite 0.00 5.71 5.71 Al2Si2O5(OH)4 O2(g) -11.52 -14.41 -2.89 O2 Quartz -1.11 -5.09 -3.98 SiO2 SiO2(a) -2.37 -5.09 -2.71 SiO2 Reaction step 9. Using solution 1. PURE WATER Using pure phase assemblage 1. Using reaction 1. Reaction 1. Irreversible reaction defined in simulation 8. 8.000e-006 moles of the following reaction have been added: Relative Reactant moles K-feldspar 1.00000 Relative Element moles Al 1.00000 K 1.00000 O 8.00000 Si 3.00000 -------------------------------Phase assemblage-------------------------------- Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta Gibbsite -0.38 7.67 8.05 0.000e+000 0 0.000e+000 K-feldspar -3.97 -3.10 0.88 0.000e+000 0 0.000e+000 K-mica -0.73 12.24 12.97 0.000e+000 0 0.000e+000 Kaolinite 0.00 5.71 5.71 0.000e+000 3.695e-006 3.695e-006 -----------------------------Solution composition------------------------------ Elements Molality Moles Al 6.110e-007 6.110e-007 K 8.000e-006 8.000e-006 Si 1.661e-005 1.661e-005 ----------------------------Description of solution---------------------------- pH = 8.779 Charge balance pe = 9.596 Adjusted to redox equilibrium Specific Conductance (uS/cm, 25 oC) = 1 Density (g/cm3) = 0.99705 Activity of water = 1.000 Ionic strength = 8.002e-006 Mass of water (kg) = 1.000e+000 Total alkalinity (eq/kg) = 9.833e-006 Total carbon (mol/kg) = 0.000e+000 Total CO2 (mol/kg) = 0.000e+000 Temperature (deg C) = 25.00 Electrical balance (eq) = -6.949e-016 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 12 Total H = 1.110124e+002 Total O = 5.550625e+001 ----------------------------Distribution of species---------------------------- Log Log Log Species Molality Activity Molality Activity Gamma OH- 6.035e-006 6.015e-006 -5.219 -5.221 -0.001 H+ 1.670e-009 1.664e-009 -8.777 -8.779 -0.001 H2O 5.551e+001 1.000e+000 1.744 -0.000 0.000 Al 6.110e-007 Al(OH)4- 6.105e-007 6.084e-007 -6.214 -6.216 -0.001 Al(OH)3 5.373e-010 5.373e-010 -9.270 -9.270 0.000 Al(OH)2+ 6.089e-012 6.069e-012 -11.215 -11.217 -0.001 AlOH+2 1.306e-015 1.289e-015 -14.884 -14.890 -0.006 Al+3 2.224e-019 2.159e-019 -18.653 -18.666 -0.013 H(0) 2.522e-040 H2 1.261e-040 1.261e-040 -39.899 -39.899 0.000 K 8.000e-006 K+ 8.000e-006 7.974e-006 -5.097 -5.098 -0.001 KOH 1.661e-011 1.661e-011 -10.780 -10.780 0.000 O(0) 5.243e-013 O2 2.622e-013 2.622e-013 -12.581 -12.581 0.000 Si 1.661e-005 H4SiO4 1.525e-005 1.525e-005 -4.817 -4.817 0.000 H3SiO4- 1.356e-006 1.352e-006 -5.868 -5.869 -0.001 H2SiO4-2 5.598e-011 5.524e-011 -10.252 -10.258 -0.006 ------------------------------Saturation indices------------------------------- Phase SI log IAP log K(298 K, 1 atm) Al(OH)3(a) -3.13 7.67 10.80 Al(OH)3 Chalcedony -1.27 -4.82 -3.55 SiO2 Gibbsite -0.38 7.67 8.05 Al(OH)3 H2(g) -36.75 -39.90 -3.15 H2 H2O(g) -1.51 -0.00 1.51 H2O K-feldspar -3.97 -3.10 0.88 KAlSi3O8 K-mica -0.73 12.24 12.97 KAl3Si3O10(OH)2 Kaolinite 0.00 5.71 5.71 Al2Si2O5(OH)4 O2(g) -9.69 -12.58 -2.89 O2 Quartz -0.84 -4.82 -3.98 SiO2 SiO2(a) -2.10 -4.82 -2.71 SiO2 Reaction step 10. Using solution 1. PURE WATER Using pure phase assemblage 1. Using reaction 1. Reaction 1. Irreversible reaction defined in simulation 8. 1.600e-005 moles of the following reaction have been added: Relative Reactant moles K-feldspar 1.00000 Relative Element moles Al 1.00000 K 1.00000 O 8.00000 Si 3.00000 -------------------------------Phase assemblage-------------------------------- Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta Gibbsite -0.64 7.41 8.05 0.000e+000 0 0.000e+000 K-feldspar -2.89 -2.01 0.88 0.000e+000 0 0.000e+000 K-mica -0.17 12.80 12.97 0.000e+000 0 0.000e+000 Kaolinite 0.00 5.71 5.71 0.000e+000 7.701e-006 7.701e-006 -----------------------------Solution composition------------------------------ Elements Molality Moles Al 5.987e-007 5.987e-007 K 1.600e-005 1.600e-005 Si 3.260e-005 3.260e-005 ----------------------------Description of solution---------------------------- pH = 9.035 Charge balance pe = 8.801 Adjusted to redox equilibrium Specific Conductance (uS/cm, 25 oC) = 3 Density (g/cm3) = 0.99705 Activity of water = 1.000 Ionic strength = 1.600e-005 Mass of water (kg) = 1.000e+000 Total alkalinity (eq/kg) = 1.780e-005 Total carbon (mol/kg) = 0.000e+000 Total CO2 (mol/kg) = 0.000e+000 Temperature (deg C) = 25.00 Electrical balance (eq) = -8.661e-016 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 13 Total H = 1.110124e+002 Total O = 5.550628e+001 ----------------------------Distribution of species---------------------------- Log Log Log Species Molality Activity Molality Activity Gamma OH- 1.089e-005 1.084e-005 -4.963 -4.965 -0.002 H+ 9.275e-010 9.232e-010 -9.033 -9.035 -0.002 H2O 5.551e+001 1.000e+000 1.744 -0.000 0.000 Al 5.987e-007 Al(OH)4- 5.984e-007 5.956e-007 -6.223 -6.225 -0.002 Al(OH)3 2.918e-010 2.918e-010 -9.535 -9.535 0.000 Al(OH)2+ 1.837e-012 1.828e-012 -11.736 -11.738 -0.002 AlOH+2 2.194e-016 2.153e-016 -15.659 -15.667 -0.008 Al+3 2.087e-020 2.001e-020 -19.681 -19.699 -0.018 H(0) 3.011e-039 H2 1.505e-039 1.505e-039 -38.822 -38.822 0.000 K 1.600e-005 K+ 1.600e-005 1.593e-005 -4.796 -4.798 -0.002 KOH 5.981e-011 5.981e-011 -10.223 -10.223 0.000 O(0) 3.679e-015 O2 1.840e-015 1.840e-015 -14.735 -14.735 0.000 Si 3.260e-005 H4SiO4 2.809e-005 2.809e-005 -4.551 -4.551 0.000 H3SiO4- 4.508e-006 4.487e-006 -5.346 -5.348 -0.002 H2SiO4-2 3.368e-010 3.306e-010 -9.473 -9.481 -0.008 ------------------------------Saturation indices------------------------------- Phase SI log IAP log K(298 K, 1 atm) Al(OH)3(a) -3.39 7.41 10.80 Al(OH)3 Chalcedony -1.00 -4.55 -3.55 SiO2 Gibbsite -0.64 7.41 8.05 Al(OH)3 H2(g) -35.67 -38.82 -3.15 H2 H2O(g) -1.51 -0.00 1.51 H2O K-feldspar -2.89 -2.01 0.88 KAlSi3O8 K-mica -0.17 12.80 12.97 KAl3Si3O10(OH)2 Kaolinite 0.00 5.71 5.71 Al2Si2O5(OH)4 O2(g) -11.84 -14.74 -2.89 O2 Quartz -0.57 -4.55 -3.98 SiO2 SiO2(a) -1.84 -4.55 -2.71 SiO2 Reaction step 11. Using solution 1. PURE WATER Using pure phase assemblage 1. Using reaction 1. Reaction 1. Irreversible reaction defined in simulation 8. 3.200e-005 moles of the following reaction have been added: Relative Reactant moles K-feldspar 1.00000 Relative Element moles Al 1.00000 K 1.00000 O 8.00000 Si 3.00000 -------------------------------Phase assemblage-------------------------------- Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta Gibbsite -0.93 7.12 8.05 0.000e+000 0 0.000e+000 K-feldspar -2.14 -1.26 0.88 0.000e+000 0 0.000e+000 K-mica -0.00 12.97 12.97 0.000e+000 1.020e-005 1.020e-005 Kaolinite -0.00 5.71 5.71 0.000e+000 5.270e-007 5.270e-007 -----------------------------Solution composition------------------------------ Elements Molality Moles Al 3.349e-007 3.349e-007 K 2.180e-005 2.180e-005 Si 6.434e-005 6.433e-005 ----------------------------Description of solution---------------------------- pH = 9.072 Charge balance pe = 8.839 Adjusted to redox equilibrium Specific Conductance (uS/cm, 25 oC) = 3 Density (g/cm3) = 0.99705 Activity of water = 1.000 Ionic strength = 2.180e-005 Mass of water (kg) = 1.000e+000 Total alkalinity (eq/kg) = 2.280e-005 Total carbon (mol/kg) = 0.000e+000 Total CO2 (mol/kg) = 0.000e+000 Temperature (deg C) = 25.00 Electrical balance (eq) = 3.312e-014 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 13 Total H = 1.110124e+002 Total O = 5.550635e+001 ----------------------------Distribution of species---------------------------- Log Log Log Species Molality Activity Molality Activity Gamma OH- 1.188e-005 1.182e-005 -4.925 -4.928 -0.002 H+ 8.519e-010 8.473e-010 -9.070 -9.072 -0.002 H2O 5.551e+001 1.000e+000 1.744 -0.000 0.000 Al 3.349e-007 Al(OH)4- 3.348e-007 3.330e-007 -6.475 -6.478 -0.002 Al(OH)3 1.497e-010 1.497e-010 -9.825 -9.825 0.000 Al(OH)2+ 8.654e-013 8.607e-013 -12.063 -12.065 -0.002 AlOH+2 9.510e-017 9.305e-017 -16.022 -16.031 -0.009 Al+3 8.332e-021 7.937e-021 -20.079 -20.100 -0.021 H(0) 2.129e-039 H2 1.064e-039 1.064e-039 -38.973 -38.973 0.000 K 2.180e-005 K+ 2.180e-005 2.168e-005 -4.662 -4.664 -0.002 KOH 8.871e-011 8.872e-011 -10.052 -10.052 0.000 O(0) 7.360e-015 O2 3.680e-015 3.680e-015 -14.434 -14.434 0.000 Si 6.434e-005 H4SiO4 5.475e-005 5.475e-005 -4.262 -4.262 0.000 H3SiO4- 9.581e-006 9.529e-006 -5.019 -5.021 -0.002 H2SiO4-2 7.819e-010 7.650e-010 -9.107 -9.116 -0.009 ------------------------------Saturation indices------------------------------- Phase SI log IAP log K(298 K, 1 atm) Al(OH)3(a) -3.68 7.12 10.80 Al(OH)3 Chalcedony -0.71 -4.26 -3.55 SiO2 Gibbsite -0.93 7.12 8.05 Al(OH)3 H2(g) -35.82 -38.97 -3.15 H2 H2O(g) -1.51 -0.00 1.51 H2O K-feldspar -2.14 -1.26 0.88 KAlSi3O8 K-mica -0.00 12.97 12.97 KAl3Si3O10(OH)2 Kaolinite -0.00 5.71 5.71 Al2Si2O5(OH)4 O2(g) -11.54 -14.43 -2.89 O2 Quartz -0.28 -4.26 -3.98 SiO2 SiO2(a) -1.55 -4.26 -2.71 SiO2 Reaction step 12. Using solution 1. PURE WATER Using pure phase assemblage 1. Using reaction 1. Reaction 1. Irreversible reaction defined in simulation 8. 6.400e-005 moles of the following reaction have been added: Relative Reactant moles K-feldspar 1.00000 Relative Element moles Al 1.00000 K 1.00000 O 8.00000 Si 3.00000 -------------------------------Phase assemblage-------------------------------- Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta Gibbsite -1.35 6.69 8.05 0.000e+000 0 0.000e+000 K-feldspar -1.29 -0.42 0.88 0.000e+000 0 0.000e+000 K-mica 0.00 12.97 12.97 0.000e+000 2.127e-005 2.127e-005 Kaolinite -0.30 5.41 5.71 0.000e+000 0 0.000e+000 -----------------------------Solution composition------------------------------ Elements Molality Moles Al 1.812e-007 1.812e-007 K 4.273e-005 4.273e-005 Si 1.282e-004 1.282e-004 ----------------------------Description of solution---------------------------- pH = 9.225 Charge balance pe = 8.692 Adjusted to redox equilibrium Specific Conductance (uS/cm, 25 oC) = 6 Density (g/cm3) = 0.99705 Activity of water = 1.000 Ionic strength = 4.273e-005 Mass of water (kg) = 1.000e+000 Total alkalinity (eq/kg) = 4.327e-005 Total carbon (mol/kg) = 0.000e+000 Total CO2 (mol/kg) = 0.000e+000 Temperature (deg C) = 25.00 Electrical balance (eq) = -3.283e-018 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 16 Total H = 1.110124e+002 Total O = 5.550647e+001 ----------------------------Distribution of species---------------------------- Log Log Log Species Molality Activity Molality Activity Gamma OH- 1.694e-005 1.681e-005 -4.771 -4.774 -0.003 H+ 5.999e-010 5.954e-010 -9.222 -9.225 -0.003 H2O 5.551e+001 1.000e+000 1.744 -0.000 0.000 Al 1.812e-007 Al(OH)4- 1.812e-007 1.798e-007 -6.742 -6.745 -0.003 Al(OH)3 5.680e-011 5.680e-011 -10.246 -10.246 0.000 Al(OH)2+ 2.313e-013 2.295e-013 -12.636 -12.639 -0.003 AlOH+2 1.797e-017 1.744e-017 -16.745 -16.759 -0.013 Al+3 1.118e-021 1.045e-021 -20.951 -20.981 -0.029 H(0) 2.077e-039 H2 1.039e-039 1.039e-039 -38.984 -38.984 0.000 K 4.273e-005 K+ 4.273e-005 4.240e-005 -4.369 -4.373 -0.003 KOH 2.469e-010 2.469e-010 -9.607 -9.607 0.000 O(0) 7.728e-015 O2 3.864e-015 3.864e-015 -14.413 -14.413 0.000 Si 1.282e-004 H4SiO4 1.026e-004 1.026e-004 -3.989 -3.989 0.000 H3SiO4- 2.560e-005 2.540e-005 -4.592 -4.595 -0.003 H2SiO4-2 2.992e-009 2.902e-009 -8.524 -8.537 -0.013 ------------------------------Saturation indices------------------------------- Phase SI log IAP log K(298 K, 1 atm) Al(OH)3(a) -4.11 6.69 10.80 Al(OH)3 Chalcedony -0.44 -3.99 -3.55 SiO2 Gibbsite -1.35 6.69 8.05 Al(OH)3 H2(g) -35.83 -38.98 -3.15 H2 H2O(g) -1.51 -0.00 1.51 H2O K-feldspar -1.29 -0.42 0.88 KAlSi3O8 K-mica 0.00 12.97 12.97 KAl3Si3O10(OH)2 Kaolinite -0.30 5.41 5.71 Al2Si2O5(OH)4 O2(g) -11.52 -14.41 -2.89 O2 Quartz -0.01 -3.99 -3.98 SiO2 SiO2(a) -1.28 -3.99 -2.71 SiO2 Reaction step 13. Using solution 1. PURE WATER Using pure phase assemblage 1. Using reaction 1. Reaction 1. Irreversible reaction defined in simulation 8. 1.000e-004 moles of the following reaction have been added: Relative Reactant moles K-feldspar 1.00000 Relative Element moles Al 1.00000 K 1.00000 O 8.00000 Si 3.00000 -------------------------------Phase assemblage-------------------------------- Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta Gibbsite -1.62 6.43 8.05 0.000e+000 0 0.000e+000 K-feldspar -0.76 0.11 0.88 0.000e+000 0 0.000e+000 K-mica -0.00 12.97 12.97 0.000e+000 3.329e-005 3.329e-005 Kaolinite -0.48 5.23 5.71 0.000e+000 0 0.000e+000 -----------------------------Solution composition------------------------------ Elements Molality Moles Al 1.179e-007 1.179e-007 K 6.671e-005 6.671e-005 Si 2.001e-004 2.001e-004 ----------------------------Description of solution---------------------------- pH = 9.305 Charge balance pe = 8.570 Adjusted to redox equilibrium Specific Conductance (uS/cm, 25 oC) = 8 Density (g/cm3) = 0.99705 Activity of water = 1.000 Ionic strength = 6.671e-005 Mass of water (kg) = 1.000e+000 Total alkalinity (eq/kg) = 6.706e-005 Total carbon (mol/kg) = 0.000e+000 Total CO2 (mol/kg) = 0.000e+000 Temperature (deg C) = 25.00 Electrical balance (eq) = 1.403e-014 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 15 Total H = 1.110124e+002 Total O = 5.550662e+001 ----------------------------Distribution of species---------------------------- Log Log Log Species Molality Activity Molality Activity Gamma OH- 2.038e-005 2.019e-005 -4.691 -4.695 -0.004 H+ 5.006e-010 4.959e-010 -9.301 -9.305 -0.004 H2O 5.551e+001 1.000e+000 1.744 -0.000 0.000 Al 1.179e-007 Al(OH)4- 1.179e-007 1.167e-007 -6.929 -6.933 -0.004 Al(OH)3 3.072e-011 3.072e-011 -10.513 -10.513 0.000 Al(OH)2+ 1.044e-013 1.034e-013 -12.981 -12.985 -0.004 AlOH+2 6.796e-018 6.543e-018 -17.168 -17.184 -0.016 Al+3 3.554e-022 3.267e-022 -21.449 -21.486 -0.037 H(0) 2.523e-039 H2 1.261e-039 1.261e-039 -38.899 -38.899 0.000 K 6.671e-005 K+ 6.671e-005 6.608e-005 -4.176 -4.180 -0.004 KOH 4.620e-010 4.620e-010 -9.335 -9.335 0.000 O(0) 5.239e-015 O2 2.620e-015 2.620e-015 -14.582 -14.582 0.000 Si 2.001e-004 H4SiO4 1.539e-004 1.539e-004 -3.813 -3.813 0.000 H3SiO4- 4.620e-005 4.576e-005 -4.335 -4.339 -0.004 H2SiO4-2 6.519e-009 6.277e-009 -8.186 -8.202 -0.016 ------------------------------Saturation indices------------------------------- Phase SI log IAP log K(298 K, 1 atm) Al(OH)3(a) -4.37 6.43 10.80 Al(OH)3 Chalcedony -0.26 -3.81 -3.55 SiO2 Gibbsite -1.62 6.43 8.05 Al(OH)3 H2(g) -35.75 -38.90 -3.15 H2 H2O(g) -1.51 -0.00 1.51 H2O K-feldspar -0.76 0.11 0.88 KAlSi3O8 K-mica -0.00 12.97 12.97 KAl3Si3O10(OH)2 Kaolinite -0.48 5.23 5.71 Al2Si2O5(OH)4 O2(g) -11.69 -14.58 -2.89 O2 Quartz 0.17 -3.81 -3.98 SiO2 SiO2(a) -1.10 -3.81 -2.71 SiO2 Reaction step 14. Using solution 1. PURE WATER Using pure phase assemblage 1. Using reaction 1. Reaction 1. Irreversible reaction defined in simulation 8. 2.000e-004 moles of the following reaction have been added: Relative Reactant moles K-feldspar 1.00000 Relative Element moles Al 1.00000 K 1.00000 O 8.00000 Si 3.00000 -------------------------------Phase assemblage-------------------------------- Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta Gibbsite -2.00 6.05 8.05 0.000e+000 0 0.000e+000 K-feldspar 0.00 0.88 0.88 0.000e+000 9.120e-006 9.120e-006 K-mica -0.00 12.97 12.97 0.000e+000 6.361e-005 6.361e-005 Kaolinite -0.72 4.99 5.71 0.000e+000 0 0.000e+000 -----------------------------Solution composition------------------------------ Elements Molality Moles Al 5.990e-008 5.989e-008 K 1.273e-004 1.273e-004 Si 3.818e-004 3.818e-004 ----------------------------Description of solution---------------------------- pH = 9.389 Charge balance pe = 8.818 Adjusted to redox equilibrium Specific Conductance (uS/cm, 25 oC) = 14 Density (g/cm3) = 0.99705 Activity of water = 1.000 Ionic strength = 1.273e-004 Mass of water (kg) = 1.000e+000 Total alkalinity (eq/kg) = 1.275e-004 Total carbon (mol/kg) = 0.000e+000 Total CO2 (mol/kg) = 0.000e+000 Temperature (deg C) = 25.00 Electrical balance (eq) = 2.191e-014 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 16 Total H = 1.110123e+002 Total O = 5.550698e+001 ----------------------------Distribution of species---------------------------- Log Log Log Species Molality Activity Molality Activity Gamma OH- 2.486e-005 2.453e-005 -4.605 -4.610 -0.006 H+ 4.133e-010 4.080e-010 -9.384 -9.389 -0.006 H2O 5.551e+001 1.000e+000 1.744 -0.000 0.000 Al 5.990e-008 Al(OH)4- 5.988e-008 5.911e-008 -7.223 -7.228 -0.006 Al(OH)3 1.280e-011 1.280e-011 -10.893 -10.893 0.000 Al(OH)2+ 3.590e-014 3.544e-014 -13.445 -13.451 -0.006 AlOH+2 1.944e-018 1.845e-018 -17.711 -17.734 -0.023 Al+3 8.505e-023 7.579e-023 -22.070 -22.120 -0.050 H(0) 5.454e-040 H2 2.727e-040 2.727e-040 -39.564 -39.564 0.000 K 1.273e-004 K+ 1.273e-004 1.256e-004 -3.895 -3.901 -0.006 KOH 1.067e-009 1.067e-009 -8.972 -8.972 0.000 O(0) 1.121e-013 O2 5.606e-014 5.606e-014 -13.251 -13.251 0.000 Si 3.818e-004 H4SiO4 2.795e-004 2.795e-004 -3.554 -3.554 0.000 H3SiO4- 1.023e-004 1.010e-004 -3.990 -3.996 -0.006 H2SiO4-2 1.774e-008 1.684e-008 -7.751 -7.774 -0.023 ------------------------------Saturation indices------------------------------- Phase SI log IAP log K(298 K, 1 atm) Al(OH)3(a) -4.75 6.05 10.80 Al(OH)3 Chalcedony -0.00 -3.55 -3.55 SiO2 Gibbsite -2.00 6.05 8.05 Al(OH)3 H2(g) -36.41 -39.56 -3.15 H2 H2O(g) -1.51 -0.00 1.51 H2O K-feldspar 0.00 0.88 0.88 KAlSi3O8 K-mica -0.00 12.97 12.97 KAl3Si3O10(OH)2 Kaolinite -0.72 4.99 5.71 Al2Si2O5(OH)4 O2(g) -10.36 -13.25 -2.89 O2 Quartz 0.43 -3.55 -3.98 SiO2 SiO2(a) -0.84 -3.55 -2.71 SiO2 ------------------ End of simulation. ------------------ ------------------------------------ Reading input data for simulation 9. ------------------------------------ TITLE Example 6C.--kinetic calculation SOLUTION 1 units mol/kgw Al 1.e-13 K 1.e-13 Si 3.e-13 EQUILIBRIUM_PHASES 1 Gibbsite 0.0 0.0 Kaolinite 0.0 0.0 K-mica 0.0 0.0 KINETICS 1 K-feldspar parms 1.36e-11 m0 2.16 m 1.94 step_divide 1e-6 steps 1e2 1e3 1e4 1e5 1e6 1e7 1e8 INCREMENTAL_REACTIONS true RATES K-feldspar start 10 REM store the initial amount of K-feldspar 20 IF EXISTS(1) = 0 THEN PUT(M, 1) 30 REM calculate moles of reaction 40 SR_kfld = SR("K-feldspar") 50 moles = PARM(1) * (M/M0)^0.67 * (1 - SR_kfld) * TIME 60 REM The following is for printout of phase transitions 80 REM Start Gibbsite 90 if ABS(SI("Gibbsite")) > 1e-3 THEN GOTO 150 100 i = 2 110 GOSUB 1500 150 REM Start Gibbsite -> Kaolinite 160 if ABS(SI("Kaolinite")) > 1e-3 THEN GOTO 200 170 i = 3 180 GOSUB 1500 200 REM End Gibbsite -> Kaolinite 210 if ABS(SI("Kaolinite")) > 1e-3 OR EQUI("Gibbsite") > 0 THEN GOTO 250 220 i = 4 230 GOSUB 1500 250 REM Start Kaolinite -> K-mica 260 if ABS(SI("K-mica")) > 1e-3 THEN GOTO 300 270 i = 5 280 GOSUB 1500 300 REM End Kaolinite -> K-mica 310 if ABS(SI("K-mica")) > 1e-3 OR EQUI("Kaolinite") > 0 THEN GOTO 350 320 i = 6 330 GOSUB 1500 350 REM Start K-mica -> K-feldspar 360 if ABS(SI("K-feldspar")) > 1e-3 THEN GOTO 1000 370 i = 7 380 GOSUB 1500 1000 SAVE moles 1010 END 1500 REM subroutine to store data 1510 if GET(i) >= M THEN RETURN 1520 PUT(M, i) 1530 PUT(TOTAL_TIME, i, 1) 1540 PUT(LA("K+")-LA("H+"), i, 2) 1550 PUT(LA("H4SiO4"), i, 3) 1560 RETURN end USER_PRINT 10 DATA "A: Gibbsite ", "B: Gibbsite -> Kaolinite ", "C: Gibbsite -> Kaolinite ", "D: Kaolinite -> K-mica ", "E: Kaolinite -> K-mica ", "F: K-mica -> K-feldspar" 20 PRINT " Transition Time K-feldspar LA(K/H) LA(H4SiO4)" 30 PRINT " reacted" 40 PRINT " (moles)" 50 FOR i = 2 TO 7 60 READ s$ 70 IF EXISTS(i) THEN PRINT s$, GET(i,1), GET(1) - GET(i), GET(i,2), GET(i,3) 80 NEXT i SELECTED_OUTPUT file ex6C.sel reset false USER_PUNCH headings pH+log[K] log[H4SiO4] 10 PUNCH LA("K+")-LA("H+") LA("H4SiO4") USER_GRAPH -headings 6C--Kinetics 10 PLOT_XY LA("H4SiO4"),(LA("K+")-LA("H+")), color = Blue, line_w = 2, symbol = None END ----- TITLE ----- Example 6C.--kinetic calculation ------------------------------------------- Beginning of initial solution calculations. ------------------------------------------- Initial solution 1. ----------------------------------User print----------------------------------- Transition Time K-feldspar LA(K/H) LA(H4SiO4) reacted (moles) -----------------------------Solution composition------------------------------ Elements Molality Moles Al 1.000e-013 1.000e-013 K 1.000e-013 1.000e-013 Si 3.000e-013 3.000e-013 ----------------------------Description of solution---------------------------- pH = 7.000 pe = 4.000 Specific Conductance (uS/cm, 25 oC) = 0 Density (g/cm3) = 0.99705 Activity of water = 1.000 Ionic strength = 1.001e-007 Mass of water (kg) = 1.000e+000 Total alkalinity (eq/kg) = 1.086e-010 Total carbon (mol/kg) = 0.000e+000 Total CO2 (mol/kg) = 0.000e+000 Temperature (deg C) = 25.00 Electrical balance (eq) = -1.082e-010 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.05 Iterations = 3 Total H = 1.110124e+002 Total O = 5.550622e+001 ----------------------------Distribution of species---------------------------- Log Log Log Species Molality Activity Molality Activity Gamma OH- 1.001e-007 1.001e-007 -6.999 -7.000 -0.000 H+ 1.000e-007 1.000e-007 -7.000 -7.000 -0.000 H2O 5.551e+001 1.000e+000 1.744 -0.000 0.000 Al 1.000e-013 Al(OH)4- 9.178e-014 9.175e-014 -13.037 -13.037 -0.000 Al(OH)3 4.868e-015 4.868e-015 -14.313 -14.313 0.000 Al(OH)2+ 3.305e-015 3.304e-015 -14.481 -14.481 -0.000 AlOH+2 4.222e-017 4.215e-017 -16.375 -16.375 -0.001 Al+3 4.258e-019 4.244e-019 -18.371 -18.372 -0.001 H(0) 1.416e-025 H2 7.079e-026 7.079e-026 -25.150 -25.150 0.000 K 1.000e-013 K+ 1.000e-013 9.996e-014 -13.000 -13.000 -0.000 KOH 3.466e-021 3.466e-021 -20.460 -20.460 0.000 O(0) 0.000e+000 O2 0.000e+000 0.000e+000 -42.080 -42.080 0.000 Si 3.000e-013 H4SiO4 2.996e-013 2.996e-013 -12.524 -12.524 0.000 H3SiO4- 4.419e-016 4.417e-016 -15.355 -15.355 -0.000 H2SiO4-2 3.009e-022 3.005e-022 -21.522 -21.522 -0.001 ------------------------------Saturation indices------------------------------- Phase SI log IAP log K(298 K, 1 atm) Al(OH)3(a) -8.17 2.63 10.80 Al(OH)3 Chalcedony -8.97 -12.52 -3.55 SiO2 Gibbsite -5.42 2.63 8.05 Al(OH)3 H2(g) -22.00 -25.15 -3.15 H2 H2O(g) -1.51 -0.00 1.51 H2O K-feldspar -41.82 -40.94 0.88 KAlSi3O8 K-mica -48.66 -35.69 12.97 KAl3Si3O10(OH)2 Kaolinite -25.50 -19.79 5.71 Al2Si2O5(OH)4 O2(g) -39.19 -42.08 -2.89 O2 Quartz -8.54 -12.52 -3.98 SiO2 SiO2(a) -9.81 -12.52 -2.71 SiO2 ----------------------------------------- Beginning of batch-reaction calculations. ----------------------------------------- Reaction step 1. Using solution 1. Using pure phase assemblage 1. Using kinetics 1. Kinetics defined in simulation 9. Kinetics 1. Kinetics defined in simulation 9. Time step: 100 seconds (Incremented time: 100 seconds) Rate name Delta Moles Total Moles Reactant Coefficient K-feldspar -1.266e-009 1.940e+000 K-feldspar 1 ----------------------------------User print----------------------------------- Transition Time K-feldspar LA(K/H) LA(H4SiO4) reacted (moles) -------------------------------Phase assemblage-------------------------------- Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta Gibbsite -1.32 6.73 8.05 0.000e+000 0 0.000e+000 K-mica -19.94 -6.97 12.97 0.000e+000 0 0.000e+000 Kaolinite -9.09 -3.38 5.71 0.000e+000 0 0.000e+000 -----------------------------Solution composition------------------------------ Elements Molality Moles Al 1.266e-009 1.266e-009 K 1.266e-009 1.266e-009 Si 3.797e-009 3.797e-009 ----------------------------Description of solution---------------------------- pH = 7.000 Charge balance pe = 11.072 Adjusted to redox equilibrium Specific Conductance (uS/cm, 25 oC) = 0 Density (g/cm3) = 0.99705 Activity of water = 1.000 Ionic strength = 1.013e-007 Mass of water (kg) = 1.000e+000 Total alkalinity (eq/kg) = 5.171e-009 Total carbon (mol/kg) = 0.000e+000 Total CO2 (mol/kg) = 0.000e+000 Temperature (deg C) = 25.00 Electrical balance (eq) = -1.082e-010 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.05 Iterations = 34 Total H = 1.110124e+002 Total O = 5.550622e+001 ----------------------------Distribution of species---------------------------- Log Log Log Species Molality Activity Molality Activity Gamma OH- 1.002e-007 1.002e-007 -6.999 -6.999 -0.000 H+ 9.997e-008 9.993e-008 -7.000 -7.000 -0.000 H2O 5.551e+001 1.000e+000 1.744 -0.000 0.000 Al 1.266e-009 Al(OH)4- 1.162e-009 1.161e-009 -8.935 -8.935 -0.000 Al(OH)3 6.157e-011 6.157e-011 -10.211 -10.211 0.000 Al(OH)2+ 4.178e-011 4.176e-011 -10.379 -10.379 -0.000 AlOH+2 5.332e-013 5.324e-013 -12.273 -12.274 -0.001 Al+3 5.375e-015 5.356e-015 -14.270 -14.271 -0.001 H(0) 1.016e-039 H2 5.080e-040 5.080e-040 -39.294 -39.294 0.000 K 1.266e-009 K+ 1.266e-009 1.265e-009 -8.898 -8.898 -0.000 KOH 4.390e-017 4.390e-017 -16.358 -16.358 0.000 O(0) 3.230e-014 O2 1.615e-014 1.615e-014 -13.792 -13.792 0.000 Si 3.797e-009 H4SiO4 3.791e-009 3.791e-009 -8.421 -8.421 0.000 H3SiO4- 5.596e-012 5.594e-012 -11.252 -11.252 -0.000 H2SiO4-2 3.814e-018 3.808e-018 -17.419 -17.419 -0.001 ------------------------------Saturation indices------------------------------- Phase SI log IAP log K(298 K, 1 atm) Al(OH)3(a) -4.07 6.73 10.80 Al(OH)3 Chalcedony -4.87 -8.42 -3.55 SiO2 Gibbsite -1.32 6.73 8.05 Al(OH)3 H2(g) -36.14 -39.29 -3.15 H2 H2O(g) -1.51 -0.00 1.51 H2O K-feldspar -21.31 -20.43 0.88 KAlSi3O8 K-mica -19.94 -6.97 12.97 KAl3Si3O10(OH)2 Kaolinite -9.09 -3.38 5.71 Al2Si2O5(OH)4 O2(g) -10.90 -13.79 -2.89 O2 Quartz -4.44 -8.42 -3.98 SiO2 SiO2(a) -5.71 -8.42 -2.71 SiO2 Reaction step 2. Using solution 1. Using pure phase assemblage 1. Using kinetics 1. Kinetics defined in simulation 9. Kinetics 1. Kinetics defined in simulation 9. Time step: 1000 seconds (Incremented time: 1100 seconds) Rate name Delta Moles Total Moles Reactant Coefficient K-feldspar -1.266e-008 1.940e+000 K-feldspar 1 ----------------------------------User print----------------------------------- Transition Time K-feldspar LA(K/H) LA(H4SiO4) reacted (moles) -------------------------------Phase assemblage-------------------------------- Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta Gibbsite -0.28 7.77 8.05 0.000e+000 0 0.000e+000 K-mica -12.66 0.31 12.97 0.000e+000 0 0.000e+000 Kaolinite -4.93 0.78 5.71 0.000e+000 0 0.000e+000 -----------------------------Solution composition------------------------------ Elements Molality Moles Al 1.392e-008 1.392e-008 K 1.392e-008 1.392e-008 Si 4.176e-008 4.176e-008 ----------------------------Description of solution---------------------------- pH = 7.003 Charge balance pe = 11.083 Adjusted to redox equilibrium Specific Conductance (uS/cm, 25 oC) = 0 Density (g/cm3) = 0.99705 Activity of water = 1.000 Ionic strength = 1.137e-007 Mass of water (kg) = 1.000e+000 Total alkalinity (eq/kg) = 5.579e-008 Total carbon (mol/kg) = 0.000e+000 Total CO2 (mol/kg) = 0.000e+000 Temperature (deg C) = 25.00 Electrical balance (eq) = -1.082e-010 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.05 Iterations = 9 Total H = 1.110124e+002 Total O = 5.550622e+001 ----------------------------Distribution of species---------------------------- Log Log Log Species Molality Activity Molality Activity Gamma OH- 1.009e-007 1.009e-007 -6.996 -6.996 -0.000 H+ 9.928e-008 9.924e-008 -7.003 -7.003 -0.000 H2O 5.551e+001 1.000e+000 1.744 -0.000 0.000 Al 1.392e-008 Al(OH)4- 1.279e-008 1.278e-008 -7.893 -7.893 -0.000 Al(OH)3 6.731e-010 6.731e-010 -9.172 -9.172 0.000 Al(OH)2+ 4.535e-010 4.533e-010 -9.343 -9.344 -0.000 AlOH+2 5.749e-012 5.740e-012 -11.240 -11.241 -0.001 Al+3 5.755e-014 5.734e-014 -13.240 -13.242 -0.002 H(0) 9.530e-040 H2 4.765e-040 4.765e-040 -39.322 -39.322 0.000 K 1.392e-008 K+ 1.392e-008 1.392e-008 -7.856 -7.856 -0.000 KOH 4.862e-016 4.862e-016 -15.313 -15.313 0.000 O(0) 3.672e-014 O2 1.836e-014 1.836e-014 -13.736 -13.736 0.000 Si 4.176e-008 H4SiO4 4.170e-008 4.170e-008 -7.380 -7.380 0.000 H3SiO4- 6.199e-011 6.196e-011 -10.208 -10.208 -0.000 H2SiO4-2 4.254e-017 4.247e-017 -16.371 -16.372 -0.001 ------------------------------Saturation indices------------------------------- Phase SI log IAP log K(298 K, 1 atm) Al(OH)3(a) -3.03 7.77 10.80 Al(OH)3 Chalcedony -3.83 -7.38 -3.55 SiO2 Gibbsite -0.28 7.77 8.05 Al(OH)3 H2(g) -36.17 -39.32 -3.15 H2 H2O(g) -1.51 -0.00 1.51 H2O K-feldspar -16.10 -15.22 0.88 KAlSi3O8 K-mica -12.66 0.31 12.97 KAl3Si3O10(OH)2 Kaolinite -4.93 0.78 5.71 Al2Si2O5(OH)4 O2(g) -10.84 -13.74 -2.89 O2 Quartz -3.40 -7.38 -3.98 SiO2 SiO2(a) -4.67 -7.38 -2.71 SiO2 Reaction step 3. Using solution 1. Using pure phase assemblage 1. Using kinetics 1. Kinetics defined in simulation 9. Kinetics 1. Kinetics defined in simulation 9. Time step: 10000 seconds (Incremented time: 11100 seconds) Rate name Delta Moles Total Moles Reactant Coefficient K-feldspar -1.266e-007 1.940e+000 K-feldspar 1 ----------------------------------User print----------------------------------- Transition Time K-feldspar LA(K/H) LA(H4SiO4) reacted (moles) A: Gibbsite 1100 1.4048e-007 3.5755e-001 -6.3763e+000 -------------------------------Phase assemblage-------------------------------- Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta Gibbsite -0.00 8.05 8.05 0.000e+000 9.936e-008 9.936e-008 K-mica -7.59 5.38 12.97 0.000e+000 0 0.000e+000 Kaolinite -2.36 3.35 5.71 0.000e+000 0 0.000e+000 -----------------------------Solution composition------------------------------ Elements Molality Moles Al 4.111e-008 4.111e-008 K 1.405e-007 1.405e-007 Si 4.214e-007 4.214e-007 ----------------------------Description of solution---------------------------- pH = 7.210 Charge balance pe = 10.845 Adjusted to redox equilibrium Specific Conductance (uS/cm, 25 oC) = 0 Density (g/cm3) = 0.99705 Activity of water = 1.000 Ionic strength = 2.027e-007 Mass of water (kg) = 1.000e+000 Total alkalinity (eq/kg) = 2.639e-007 Total carbon (mol/kg) = 0.000e+000 Total CO2 (mol/kg) = 0.000e+000 Temperature (deg C) = 25.00 Electrical balance (eq) = -1.082e-010 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.03 Iterations = 10 Total H = 1.110124e+002 Total O = 5.550622e+001 ----------------------------Distribution of species---------------------------- Log Log Log Species Molality Activity Molality Activity Gamma OH- 1.625e-007 1.624e-007 -6.789 -6.789 -0.000 H+ 6.167e-008 6.164e-008 -7.210 -7.210 -0.000 H2O 5.551e+001 1.000e+000 1.744 -0.000 0.000 Al 4.111e-008 Al(OH)4- 3.929e-008 3.927e-008 -7.406 -7.406 -0.000 Al(OH)3 1.284e-009 1.284e-009 -8.891 -8.891 0.000 Al(OH)2+ 5.374e-010 5.372e-010 -9.270 -9.270 -0.000 AlOH+2 4.233e-012 4.224e-012 -11.373 -11.374 -0.001 Al+3 2.634e-014 2.621e-014 -13.579 -13.582 -0.002 H(0) 1.100e-039 H2 5.498e-040 5.498e-040 -39.260 -39.260 0.000 K 1.405e-007 K+ 1.405e-007 1.404e-007 -6.852 -6.853 -0.000 KOH 7.899e-015 7.899e-015 -14.102 -14.102 0.000 O(0) 2.758e-014 O2 1.379e-014 1.379e-014 -13.860 -13.860 0.000 Si 4.214e-007 H4SiO4 4.204e-007 4.204e-007 -6.376 -6.376 0.000 H3SiO4- 1.006e-009 1.006e-009 -8.997 -8.997 -0.000 H2SiO4-2 1.112e-015 1.110e-015 -14.954 -14.955 -0.001 ------------------------------Saturation indices------------------------------- Phase SI log IAP log K(298 K, 1 atm) Al(OH)3(a) -2.75 8.05 10.80 Al(OH)3 Chalcedony -2.82 -6.38 -3.55 SiO2 Gibbsite -0.00 8.05 8.05 Al(OH)3 H2(g) -36.11 -39.26 -3.15 H2 H2O(g) -1.51 -0.00 1.51 H2O K-feldspar -11.60 -10.72 0.88 KAlSi3O8 K-mica -7.59 5.38 12.97 KAl3Si3O10(OH)2 Kaolinite -2.36 3.35 5.71 Al2Si2O5(OH)4 O2(g) -10.97 -13.86 -2.89 O2 Quartz -2.40 -6.38 -3.98 SiO2 SiO2(a) -3.66 -6.38 -2.71 SiO2 Reaction step 4. Using solution 1. Using pure phase assemblage 1. Using kinetics 1. Kinetics defined in simulation 9. Kinetics 1. Kinetics defined in simulation 9. Time step: 100000 seconds (Incremented time: 111100 seconds) Rate name Delta Moles Total Moles Reactant Coefficient K-feldspar -1.266e-006 1.940e+000 K-feldspar 1 ----------------------------------User print----------------------------------- Transition Time K-feldspar LA(K/H) LA(H4SiO4) reacted (moles) A: Gibbsite 1100 1.4048e-007 3.5755e-001 -6.3763e+000 -------------------------------Phase assemblage-------------------------------- Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta Gibbsite 0.00 8.05 8.05 9.936e-008 1.142e-006 1.043e-006 K-mica -2.79 10.18 12.97 0.000e+000 0 0.000e+000 Kaolinite -0.37 5.33 5.71 0.000e+000 0 0.000e+000 -----------------------------Solution composition------------------------------ Elements Molality Moles Al 2.640e-007 2.640e-007 K 1.406e-006 1.406e-006 Si 4.218e-006 4.218e-006 ----------------------------Description of solution---------------------------- pH = 8.035 Charge balance pe = 10.092 Adjusted to redox equilibrium Specific Conductance (uS/cm, 25 oC) = 0 Density (g/cm3) = 0.99705 Activity of water = 1.000 Ionic strength = 1.415e-006 Mass of water (kg) = 1.000e+000 Total alkalinity (eq/kg) = 2.198e-006 Total carbon (mol/kg) = 0.000e+000 Total CO2 (mol/kg) = 0.000e+000 Temperature (deg C) = 25.00 Electrical balance (eq) = -1.082e-010 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 67 Total H = 1.110124e+002 Total O = 5.550622e+001 ----------------------------Distribution of species---------------------------- Log Log Log Species Molality Activity Molality Activity Gamma OH- 1.086e-006 1.085e-006 -5.964 -5.965 -0.001 H+ 9.240e-009 9.228e-009 -8.034 -8.035 -0.001 H2O 5.551e+001 1.000e+000 1.744 -0.000 0.000 Al 2.640e-007 Al(OH)4- 2.626e-007 2.623e-007 -6.581 -6.581 -0.001 Al(OH)3 1.284e-009 1.284e-009 -8.891 -8.891 0.000 Al(OH)2+ 8.053e-011 8.042e-011 -10.094 -10.095 -0.001 AlOH+2 9.521e-014 9.468e-014 -13.021 -13.024 -0.002 Al+3 8.906e-017 8.796e-017 -16.050 -16.056 -0.005 H(0) 7.899e-040 H2 3.949e-040 3.949e-040 -39.403 -39.403 0.000 K 1.406e-006 K+ 1.406e-006 1.404e-006 -5.852 -5.853 -0.001 KOH 5.276e-013 5.276e-013 -12.278 -12.278 0.000 O(0) 5.345e-014 O2 2.673e-014 2.673e-014 -13.573 -13.573 0.000 Si 4.218e-006 H4SiO4 4.152e-006 4.152e-006 -5.382 -5.382 0.000 H3SiO4- 6.643e-008 6.634e-008 -7.178 -7.178 -0.001 H2SiO4-2 4.918e-013 4.890e-013 -12.308 -12.311 -0.002 ------------------------------Saturation indices------------------------------- Phase SI log IAP log K(298 K, 1 atm) Al(OH)3(a) -2.75 8.05 10.80 Al(OH)3 Chalcedony -1.83 -5.38 -3.55 SiO2 Gibbsite 0.00 8.05 8.05 Al(OH)3 H2(g) -36.25 -39.40 -3.15 H2 H2O(g) -1.51 -0.00 1.51 H2O K-feldspar -6.79 -5.91 0.88 KAlSi3O8 K-mica -2.79 10.18 12.97 KAl3Si3O10(OH)2 Kaolinite -0.37 5.33 5.71 Al2Si2O5(OH)4 O2(g) -10.68 -13.57 -2.89 O2 Quartz -1.40 -5.38 -3.98 SiO2 SiO2(a) -2.67 -5.38 -2.71 SiO2 Reaction step 5. Using solution 1. Using pure phase assemblage 1. Using kinetics 1. Kinetics defined in simulation 9. Kinetics 1. Kinetics defined in simulation 9. Time step: 1e+006 seconds (Incremented time: 1.1111e+006 seconds) Rate name Delta Moles Total Moles Reactant Coefficient K-feldspar -1.265e-005 1.940e+000 K-feldspar 1 ----------------------------------User print----------------------------------- Transition Time K-feldspar LA(K/H) LA(H4SiO4) reacted (moles) A: Gibbsite 1100 1.4048e-007 3.5755e-001 -6.3763e+000 B: Gibbsite -> Kaolinite 1.7434e+005 2.2064e-006 2.5609e+000 -5.1950e+000 C: Gibbsite -> Kaolinite 2.3929e+005 3.0284e-006 2.8352e+000 -5.1943e+000 -------------------------------Phase assemblage-------------------------------- Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta Gibbsite -0.59 7.45 8.05 1.142e-006 0 -1.142e-006 K-mica -0.27 12.70 12.97 0.000e+000 0 0.000e+000 Kaolinite 0.00 5.71 5.71 0.000e+000 6.727e-006 6.727e-006 -----------------------------Solution composition------------------------------ Elements Molality Moles Al 6.045e-007 6.045e-007 K 1.406e-005 1.406e-005 Si 2.872e-005 2.872e-005 ----------------------------Description of solution---------------------------- pH = 8.990 Charge balance pe = 9.189 Adjusted to redox equilibrium Specific Conductance (uS/cm, 25 oC) = 2 Density (g/cm3) = 0.99705 Activity of water = 1.000 Ionic strength = 1.406e-005 Mass of water (kg) = 1.000e+000 Total alkalinity (eq/kg) = 1.587e-005 Total carbon (mol/kg) = 0.000e+000 Total CO2 (mol/kg) = 0.000e+000 Temperature (deg C) = 25.00 Electrical balance (eq) = -1.082e-010 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 469 Total H = 1.110124e+002 Total O = 5.550627e+001 ----------------------------Distribution of species---------------------------- Log Log Log Species Molality Activity Molality Activity Gamma OH- 9.825e-006 9.782e-006 -5.008 -5.010 -0.002 H+ 1.028e-009 1.023e-009 -8.988 -8.990 -0.002 H2O 5.551e+001 1.000e+000 1.744 -0.000 0.000 Al 6.045e-007 Al(OH)4- 6.042e-007 6.015e-007 -6.219 -6.221 -0.002 Al(OH)3 3.266e-010 3.266e-010 -9.486 -9.486 0.000 Al(OH)2+ 2.279e-012 2.269e-012 -11.642 -11.644 -0.002 AlOH+2 3.015e-016 2.963e-016 -15.521 -15.528 -0.008 Al+3 3.174e-020 3.052e-020 -19.498 -19.515 -0.017 H(0) 6.201e-040 H2 3.100e-040 3.100e-040 -39.509 -39.509 0.000 K 1.406e-005 K+ 1.406e-005 1.400e-005 -4.852 -4.854 -0.002 KOH 4.742e-011 4.742e-011 -10.324 -10.324 0.000 O(0) 8.673e-014 O2 4.337e-014 4.337e-014 -13.363 -13.363 0.000 Si 2.872e-005 H4SiO4 2.509e-005 2.509e-005 -4.600 -4.600 0.000 H3SiO4- 3.631e-006 3.615e-006 -5.440 -5.442 -0.002 H2SiO4-2 2.445e-010 2.403e-010 -9.612 -9.619 -0.008 ------------------------------Saturation indices------------------------------- Phase SI log IAP log K(298 K, 1 atm) Al(OH)3(a) -3.35 7.45 10.80 Al(OH)3 Chalcedony -1.05 -4.60 -3.55 SiO2 Gibbsite -0.59 7.45 8.05 Al(OH)3 H2(g) -36.36 -39.51 -3.15 H2 H2O(g) -1.51 -0.00 1.51 H2O K-feldspar -3.09 -2.21 0.88 KAlSi3O8 K-mica -0.27 12.70 12.97 KAl3Si3O10(OH)2 Kaolinite 0.00 5.71 5.71 Al2Si2O5(OH)4 O2(g) -10.47 -13.36 -2.89 O2 Quartz -0.62 -4.60 -3.98 SiO2 SiO2(a) -1.89 -4.60 -2.71 SiO2 Reaction step 6. Using solution 1. Using pure phase assemblage 1. Using kinetics 1. Kinetics defined in simulation 9. Kinetics 1. Kinetics defined in simulation 9. Time step: 1e+007 seconds (Incremented time: 1.11111e+007 seconds) Rate name Delta Moles Total Moles Reactant Coefficient K-feldspar -1.126e-004 1.940e+000 K-feldspar 1 ----------------------------------User print----------------------------------- Transition Time K-feldspar LA(K/H) LA(H4SiO4) reacted (moles) A: Gibbsite 1100 1.4048e-007 3.5755e-001 -6.3763e+000 B: Gibbsite -> Kaolinite 1.7434e+005 2.2064e-006 2.5609e+000 -5.1950e+000 C: Gibbsite -> Kaolinite 2.3929e+005 3.0284e-006 2.8352e+000 -5.1943e+000 D: Kaolinite -> K-mica 1.5869e+006 2.0070e-005 4.4080e+000 -4.4659e+000 E: Kaolinite -> K-mica 2.5972e+006 3.2791e-005 4.4103e+000 -4.2509e+000 -------------------------------Phase assemblage-------------------------------- Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta Gibbsite -1.76 6.29 8.05 0.000e+000 0 0.000e+000 K-mica -0.00 12.97 12.97 0.000e+000 4.218e-005 4.218e-005 Kaolinite -0.57 5.14 5.71 6.727e-006 0 -6.727e-006 -----------------------------Solution composition------------------------------ Elements Molality Moles Al 9.274e-008 9.274e-008 K 8.444e-005 8.444e-005 Si 2.533e-004 2.533e-004 ----------------------------Description of solution---------------------------- pH = 9.339 Charge balance pe = -4.577 Adjusted to redox equilibrium Specific Conductance (uS/cm, 25 oC) = 10 Density (g/cm3) = 0.99705 Activity of water = 1.000 Ionic strength = 8.445e-005 Mass of water (kg) = 1.000e+000 Total alkalinity (eq/kg) = 8.472e-005 Total carbon (mol/kg) = 0.000e+000 Total CO2 (mol/kg) = 0.000e+000 Temperature (deg C) = 25.00 Electrical balance (eq) = -1.113e-010 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3147 Total H = 1.110123e+002 Total O = 5.550672e+001 ----------------------------Distribution of species---------------------------- Log Log Log Species Molality Activity Molality Activity Gamma OH- 2.211e-005 2.187e-005 -4.655 -4.660 -0.005 H+ 4.625e-010 4.577e-010 -9.335 -9.339 -0.005 H2O 5.551e+001 1.000e+000 1.744 -0.000 0.000 Al 9.274e-008 Al(OH)4- 9.272e-008 9.174e-008 -7.033 -7.037 -0.005 Al(OH)3 2.228e-011 2.228e-011 -10.652 -10.652 0.000 Al(OH)2+ 6.994e-014 6.920e-014 -13.155 -13.160 -0.005 AlOH+2 4.217e-018 4.041e-018 -17.375 -17.393 -0.018 Al+3 2.046e-022 1.862e-022 -21.689 -21.730 -0.041 H(0) 4.223e-013 H2 2.111e-013 2.111e-013 -12.675 -12.675 0.000 K 8.444e-005 K+ 8.444e-005 8.355e-005 -4.073 -4.078 -0.005 KOH 6.329e-010 6.329e-010 -9.199 -9.199 0.000 O(0) 0.000e+000 O2 0.000e+000 0.000e+000 -67.029 -67.029 0.000 Si 2.533e-004 H4SiO4 1.911e-004 1.911e-004 -3.719 -3.719 0.000 H3SiO4- 6.222e-005 6.157e-005 -4.206 -4.211 -0.005 H2SiO4-2 9.548e-009 9.150e-009 -8.020 -8.039 -0.018 ------------------------------Saturation indices------------------------------- Phase SI log IAP log K(298 K, 1 atm) Al(OH)3(a) -4.51 6.29 10.80 Al(OH)3 Chalcedony -0.17 -3.72 -3.55 SiO2 Gibbsite -1.76 6.29 8.05 Al(OH)3 H2(g) -9.53 -12.68 -3.15 H2 H2O(g) -1.51 -0.00 1.51 H2O K-feldspar -0.48 0.39 0.88 KAlSi3O8 K-mica -0.00 12.97 12.97 KAl3Si3O10(OH)2 Kaolinite -0.57 5.14 5.71 Al2Si2O5(OH)4 O2(g) -64.14 -67.03 -2.89 O2 Quartz 0.26 -3.72 -3.98 SiO2 SiO2(a) -1.01 -3.72 -2.71 SiO2 Reaction step 7. Using solution 1. Using pure phase assemblage 1. Using kinetics 1. Kinetics defined in simulation 9. Kinetics 1. Kinetics defined in simulation 9. Time step: 1e+008 seconds (Incremented time: 1.11111e+008 seconds) Rate name Delta Moles Total Moles Reactant Coefficient K-feldspar -6.426e-005 1.940e+000 K-feldspar 1 ----------------------------------User print----------------------------------- Transition Time K-feldspar LA(K/H) LA(H4SiO4) reacted (moles) A: Gibbsite 1100 1.4048e-007 3.5755e-001 -6.3763e+000 B: Gibbsite -> Kaolinite 1.7434e+005 2.2064e-006 2.5609e+000 -5.1950e+000 C: Gibbsite -> Kaolinite 2.3929e+005 3.0284e-006 2.8352e+000 -5.1943e+000 D: Kaolinite -> K-mica 1.5869e+006 2.0070e-005 4.4080e+000 -4.4659e+000 E: Kaolinite -> K-mica 2.5972e+006 3.2791e-005 4.4103e+000 -4.2509e+000 F: K-mica -> K-feldspar 4.7840e+007 1.9072e-004 5.4879e+000 -3.5540e+000 -------------------------------Phase assemblage-------------------------------- Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta Gibbsite -2.00 6.05 8.05 0.000e+000 0 0.000e+000 K-mica 0.00 12.97 12.97 4.218e-005 6.361e-005 2.143e-005 Kaolinite -0.72 4.99 5.71 0.000e+000 0 0.000e+000 -----------------------------Solution composition------------------------------ Elements Molality Moles Al 5.990e-008 5.989e-008 K 1.273e-004 1.273e-004 Si 3.818e-004 3.818e-004 ----------------------------Description of solution---------------------------- pH = 9.389 Charge balance pe = -4.578 Adjusted to redox equilibrium Specific Conductance (uS/cm, 25 oC) = 14 Density (g/cm3) = 0.99705 Activity of water = 1.000 Ionic strength = 1.273e-004 Mass of water (kg) = 1.000e+000 Total alkalinity (eq/kg) = 1.275e-004 Total carbon (mol/kg) = 0.000e+000 Total CO2 (mol/kg) = 0.000e+000 Temperature (deg C) = 25.00 Electrical balance (eq) = -1.114e-010 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 1790 Total H = 1.110123e+002 Total O = 5.550698e+001 ----------------------------Distribution of species---------------------------- Log Log Log Species Molality Activity Molality Activity Gamma OH- 2.486e-005 2.453e-005 -4.605 -4.610 -0.006 H+ 4.133e-010 4.080e-010 -9.384 -9.389 -0.006 H2O 5.551e+001 1.000e+000 1.744 -0.000 0.000 Al 5.990e-008 Al(OH)4- 5.988e-008 5.911e-008 -7.223 -7.228 -0.006 Al(OH)3 1.280e-011 1.280e-011 -10.893 -10.893 0.000 Al(OH)2+ 3.590e-014 3.544e-014 -13.445 -13.451 -0.006 AlOH+2 1.944e-018 1.845e-018 -17.711 -17.734 -0.023 Al+3 8.505e-023 7.579e-023 -22.070 -22.120 -0.050 H(0) 3.369e-013 H2 1.685e-013 1.685e-013 -12.773 -12.773 0.000 K 1.273e-004 K+ 1.273e-004 1.256e-004 -3.895 -3.901 -0.006 KOH 1.067e-009 1.067e-009 -8.972 -8.972 0.000 O(0) 0.000e+000 O2 0.000e+000 0.000e+000 -66.833 -66.833 0.000 Si 3.818e-004 H4SiO4 2.795e-004 2.795e-004 -3.554 -3.554 0.000 H3SiO4- 1.023e-004 1.010e-004 -3.990 -3.996 -0.006 H2SiO4-2 1.774e-008 1.684e-008 -7.751 -7.774 -0.023 ------------------------------Saturation indices------------------------------- Phase SI log IAP log K(298 K, 1 atm) Al(OH)3(a) -4.75 6.05 10.80 Al(OH)3 Chalcedony -0.00 -3.55 -3.55 SiO2 Gibbsite -2.00 6.05 8.05 Al(OH)3 H2(g) -9.62 -12.77 -3.15 H2 H2O(g) -1.51 -0.00 1.51 H2O K-feldspar -0.00 0.87 0.88 KAlSi3O8 K-mica 0.00 12.97 12.97 KAl3Si3O10(OH)2 Kaolinite -0.72 4.99 5.71 Al2Si2O5(OH)4 O2(g) -63.94 -66.83 -2.89 O2 Quartz 0.43 -3.55 -3.98 SiO2 SiO2(a) -0.84 -3.55 -2.71 SiO2 ------------------ End of simulation. ------------------ ------------------------------------- Reading input data for simulation 10. ------------------------------------- PRINT user_print false PHASES K_H KH = K+ - H+ no_check USER_GRAPH -initial_solutions true 10 PLOT_XY LA("H4SiO4"), SI("K_H"), color = Black, symbol = None SOLUTION 1 pH 11 K 1 K_H 8 Al 1 Gibbsite Si 1 K-mica SOLUTION 2 pH 7 K 1 K-mica Al 1 Gibbsite Si 1 Kaolinite SOLUTION 3 pH 7 K 1 K-mica Al 1 K-feldspar Si 1 Kaolinite SOLUTION 4 pH 7 K 1 K_H -1 Al 1 Kaolinite Si 1 K-feldspar END ------------------------------------------- Beginning of initial solution calculations. ------------------------------------------- Initial solution 1. -----------------------------Solution composition------------------------------ Elements Molality Moles Al 2.515e-004 2.515e-004 Equilibrium with Gibbsite K 1.040e-003 1.040e-003 Equilibrium with K_H Si 6.660e-006 6.660e-006 Equilibrium with K-mica ----------------------------Description of solution---------------------------- pH = 11.000 pe = 4.000 Specific Conductance (uS/cm, 25 oC) = 275 Density (g/cm3) = 0.99709 Activity of water = 1.000 Ionic strength = 1.169e-003 Mass of water (kg) = 1.000e+000 Total alkalinity (eq/kg) = 2.053e-003 Total carbon (mol/kg) = 0.000e+000 Total CO2 (mol/kg) = 0.000e+000 Temperature (deg C) = 25.00 Electrical balance (eq) = -2.589e-004 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -11.08 Iterations = 5 Total H = 1.110145e+002 Total O = 5.550829e+001 ----------------------------Distribution of species---------------------------- Log Log Log Species Molality Activity Molality Activity Gamma OH- 1.040e-003 1.001e-003 -2.983 -3.000 -0.017 H+ 1.037e-011 1.000e-011 -10.984 -11.000 -0.016 H2O 5.551e+001 1.000e+000 1.744 -0.000 0.000 Al 2.515e-004 Al(OH)4- 2.515e-004 2.420e-004 -3.600 -3.616 -0.017 Al(OH)3 1.284e-009 1.284e-009 -8.892 -8.891 0.000 Al(OH)2+ 9.056e-014 8.715e-014 -13.043 -13.060 -0.017 AlOH+2 1.296e-019 1.112e-019 -18.887 -18.954 -0.067 Al+3 1.554e-025 1.120e-025 -24.809 -24.951 -0.142 H(0) 1.416e-033 H2 7.078e-034 7.079e-034 -33.150 -33.150 0.000 K 1.040e-003 K+ 1.039e-003 1.000e-003 -2.983 -3.000 -0.017 KOH 3.466e-007 3.467e-007 -6.460 -6.460 0.000 O(0) 1.663e-026 O2 8.315e-027 8.317e-027 -26.080 -26.080 0.000 Si 6.660e-006 H3SiO4- 6.208e-006 5.974e-006 -5.207 -5.224 -0.017 H4SiO4 4.050e-007 4.051e-007 -6.393 -6.392 0.000 H2SiO4-2 4.737e-008 4.064e-008 -7.324 -7.391 -0.067 ------------------------------Saturation indices------------------------------- Phase SI log IAP log K(298 K, 1 atm) Al(OH)3(a) -2.75 8.05 10.80 Al(OH)3 Chalcedony -2.84 -6.39 -3.55 SiO2 Gibbsite -0.00 8.05 8.05 Al(OH)3 H2(g) -30.00 -33.15 -3.15 H2 H2O(g) -1.51 -0.00 1.51 H2O K-feldspar -4.00 -3.13 0.88 KAlSi3O8 K-mica -0.00 12.97 12.97 KAl3Si3O10(OH)2 K_H 8.00 8.00 0.00 KH Kaolinite -2.39 3.31 5.71 Al2Si2O5(OH)4 O2(g) -23.19 -26.08 -2.89 O2 Quartz -2.41 -6.39 -3.98 SiO2 SiO2(a) -3.68 -6.39 -2.71 SiO2 Initial solution 2. -----------------------------Solution composition------------------------------ Elements Molality Moles Al 2.741e-008 2.741e-008 Equilibrium with Gibbsite K 2.666e-003 2.666e-003 Equilibrium with K-mica Si 6.390e-006 6.390e-006 Equilibrium with Kaolinite ----------------------------Description of solution---------------------------- pH = 7.000 pe = 4.000 Specific Conductance (uS/cm, 25 oC) = 191 Density (g/cm3) = 0.99713 Activity of water = 1.000 Ionic strength = 1.333e-003 Mass of water (kg) = 1.000e+000 Total alkalinity (eq/kg) = 1.168e-007 Total carbon (mol/kg) = 0.000e+000 Total CO2 (mol/kg) = 0.000e+000 Temperature (deg C) = 25.00 Electrical balance (eq) = 2.666e-003 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 99.99 Iterations = 7 Total H = 1.110125e+002 Total O = 5.550624e+001 ----------------------------Distribution of species---------------------------- Log Log Log Species Molality Activity Molality Activity Gamma OH- 1.043e-007 1.001e-007 -6.982 -7.000 -0.018 H+ 1.039e-007 1.000e-007 -6.983 -7.000 -0.017 H2O 5.551e+001 1.000e+000 1.744 -0.000 0.000 Al 2.741e-008 Al(OH)4- 2.521e-008 2.420e-008 -7.598 -7.616 -0.018 Al(OH)3 1.284e-009 1.284e-009 -8.892 -8.891 0.000 Al(OH)2+ 9.079e-010 8.716e-010 -9.042 -9.060 -0.018 AlOH+2 1.309e-011 1.112e-011 -10.883 -10.954 -0.071 Al+3 1.585e-013 1.120e-013 -12.800 -12.951 -0.151 H(0) 1.415e-025 H2 7.077e-026 7.079e-026 -25.150 -25.150 0.000 K 2.666e-003 K+ 2.666e-003 2.558e-003 -2.574 -2.592 -0.018 KOH 8.868e-011 8.871e-011 -10.052 -10.052 0.000 O(0) 0.000e+000 O2 0.000e+000 0.000e+000 -42.080 -42.080 0.000 Si 6.390e-006 H4SiO4 6.380e-006 6.382e-006 -5.195 -5.195 0.000 H3SiO4- 9.802e-009 9.410e-009 -8.009 -8.026 -0.018 H2SiO4-2 7.537e-015 6.401e-015 -14.123 -14.194 -0.071 ------------------------------Saturation indices------------------------------- Phase SI log IAP log K(298 K, 1 atm) Al(OH)3(a) -2.75 8.05 10.80 Al(OH)3 Chalcedony -1.64 -5.20 -3.55 SiO2 Gibbsite -0.00 8.05 8.05 Al(OH)3 H2(g) -22.00 -25.15 -3.15 H2 H2O(g) -1.51 -0.00 1.51 H2O K-feldspar -4.00 -3.13 0.88 KAlSi3O8 K-mica -0.00 12.97 12.97 KAl3Si3O10(OH)2 K_H 4.41 4.41 0.00 KH Kaolinite -0.00 5.71 5.71 Al2Si2O5(OH)4 O2(g) -39.19 -42.08 -2.89 O2 Quartz -1.21 -5.20 -3.98 SiO2 SiO2(a) -2.48 -5.20 -2.71 SiO2 Initial solution 3. -----------------------------Solution composition------------------------------ Elements Molality Moles Al 2.732e-010 2.732e-010 Equilibrium with K-feldspar K 2.666e-003 2.666e-003 Equilibrium with K-mica Si 6.412e-004 6.412e-004 Equilibrium with Kaolinite ----------------------------Description of solution---------------------------- pH = 7.000 pe = 4.000 Specific Conductance (uS/cm, 25 oC) = 191 Density (g/cm3) = 0.99713 Activity of water = 1.000 Ionic strength = 1.333e-003 Mass of water (kg) = 1.000e+000 Total alkalinity (eq/kg) = 9.852e-007 Total carbon (mol/kg) = 0.000e+000 Total CO2 (mol/kg) = 0.000e+000 Temperature (deg C) = 25.00 Electrical balance (eq) = 2.665e-003 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 99.92 Iterations = 7 Total H = 1.110150e+002 Total O = 5.550878e+001 ----------------------------Distribution of species---------------------------- Log Log Log Species Molality Activity Molality Activity Gamma OH- 1.043e-007 1.001e-007 -6.982 -7.000 -0.018 H+ 1.039e-007 1.000e-007 -6.983 -7.000 -0.017 H2O 5.551e+001 9.999e-001 1.744 -0.000 0.000 Al 2.732e-010 Al(OH)4- 2.512e-010 2.412e-010 -9.600 -9.618 -0.018 Al(OH)3 1.279e-011 1.280e-011 -10.893 -10.893 0.000 Al(OH)2+ 9.047e-012 8.685e-012 -11.043 -11.061 -0.018 AlOH+2 1.305e-013 1.108e-013 -12.884 -12.955 -0.071 Al+3 1.580e-015 1.116e-015 -14.801 -14.952 -0.151 H(0) 1.415e-025 H2 7.077e-026 7.079e-026 -25.150 -25.150 0.000 K 2.666e-003 K+ 2.666e-003 2.558e-003 -2.574 -2.592 -0.018 KOH 8.868e-011 8.870e-011 -10.052 -10.052 0.000 O(0) 0.000e+000 O2 0.000e+000 0.000e+000 -42.080 -42.080 0.000 Si 6.412e-004 H4SiO4 6.402e-004 6.404e-004 -3.194 -3.194 0.000 H3SiO4- 9.837e-007 9.443e-007 -6.007 -6.025 -0.018 H2SiO4-2 7.563e-013 6.423e-013 -12.121 -12.192 -0.071 ------------------------------Saturation indices------------------------------- Phase SI log IAP log K(298 K, 1 atm) Al(OH)3(a) -4.75 6.05 10.80 Al(OH)3 Chalcedony 0.36 -3.19 -3.55 SiO2 Gibbsite -2.00 6.05 8.05 Al(OH)3 H2(g) -22.00 -25.15 -3.15 H2 H2O(g) -1.51 -0.00 1.51 H2O K-feldspar 0.00 0.88 0.88 KAlSi3O8 K-mica -0.00 12.97 12.97 KAl3Si3O10(OH)2 K_H 4.41 4.41 0.00 KH Kaolinite -0.00 5.71 5.71 Al2Si2O5(OH)4 O2(g) -39.19 -42.08 -2.89 O2 Quartz 0.79 -3.19 -3.98 SiO2 SiO2(a) -0.48 -3.19 -2.71 SiO2 Initial solution 4. -----------------------------Solution composition------------------------------ Elements Molality Moles Al 5.251e-013 5.251e-013 Equilibrium with Kaolinite K 1.018e-008 1.018e-008 Equilibrium with K_H Si 3.205e-001 3.205e-001 Equilibrium with K-feldspar ----------------------------Description of solution---------------------------- pH = 7.000 pe = 4.000 Specific Conductance (uS/cm, 25 oC) = 0 Density (g/cm3) = 0.99838 Activity of water = 0.995 Ionic strength = 2.403e-004 Mass of water (kg) = 1.000e+000 Total alkalinity (eq/kg) = 4.803e-004 Total carbon (mol/kg) = 0.000e+000 Total CO2 (mol/kg) = 0.000e+000 Temperature (deg C) = 25.00 Electrical balance (eq) = -4.803e-004 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -99.95 Iterations = 10 Total H = 1.122938e+002 Total O = 5.678810e+001 ----------------------------Distribution of species---------------------------- Log Log Log Species Molality Activity Molality Activity Gamma H+ 1.018e-007 1.000e-007 -6.992 -7.000 -0.008 OH- 1.014e-007 9.956e-008 -6.994 -7.002 -0.008 H2O 5.551e+001 9.946e-001 1.744 -0.002 0.000 Al 5.251e-013 Al(OH)4- 4.821e-013 4.736e-013 -12.317 -12.325 -0.008 Al(OH)3 2.526e-014 2.526e-014 -13.598 -13.597 0.000 Al(OH)2+ 1.755e-014 1.724e-014 -13.756 -13.763 -0.008 AlOH+2 2.375e-016 2.212e-016 -15.624 -15.655 -0.031 Al+3 2.618e-018 2.239e-018 -17.582 -17.650 -0.068 H(0) 1.416e-025 H2 7.079e-026 7.079e-026 -25.150 -25.150 0.000 K 1.018e-008 K+ 1.018e-008 1.000e-008 -7.992 -8.000 -0.008 KOH 3.448e-016 3.448e-016 -15.462 -15.462 0.000 O(0) 0.000e+000 O2 0.000e+000 0.000e+000 -42.085 -42.085 0.000 Si 3.205e-001 H4SiO4 3.200e-001 3.200e-001 -0.495 -0.495 0.000 H3SiO4- 4.803e-004 4.719e-004 -3.318 -3.326 -0.008 H2SiO4-2 3.447e-010 3.210e-010 -9.463 -9.494 -0.031 ------------------------------Saturation indices------------------------------- Phase SI log IAP log K(298 K, 1 atm) Al(OH)3(a) -7.46 3.34 10.80 Al(OH)3 Chalcedony 3.06 -0.49 -3.55 SiO2 Gibbsite -4.71 3.34 8.05 Al(OH)3 H2(g) -22.00 -25.15 -3.15 H2 H2O(g) -1.51 -0.00 1.51 H2O K-feldspar 0.00 0.88 0.88 KAlSi3O8 K-mica -5.40 7.57 12.97 KAl3Si3O10(OH)2 K_H -1.00 -1.00 0.00 KH Kaolinite -0.00 5.71 5.71 Al2Si2O5(OH)4 O2(g) -39.19 -42.08 -2.89 O2 Quartz 3.49 -0.49 -3.98 SiO2 SiO2(a) 2.22 -0.49 -2.71 SiO2 ------------------ End of simulation. ------------------ ------------------------------------- Reading input data for simulation 11. ------------------------------------- USER_GRAPH 10 PLOT_XY LA("H4SiO4"), SI("K_H"), color = Black, symbol = None SOLUTION 1 pH 11 K 1 K_H 8 Al 1 K-feldspar Si 1 K-mica SOLUTION 2 pH 7 K 1 K-mica Al 1 K-feldspar Si 1 Kaolinite SOLUTION 3 pH 7 K 1 K-mica Al 1 Gibbsite Si 1 Kaolinite SOLUTION 4 pH 7 K 1 K_H -1 Al 1 Gibbsite Si 1 Kaolinite END ------------------------------------------- Beginning of initial solution calculations. ------------------------------------------- Initial solution 1. -----------------------------Solution composition------------------------------ Elements Molality Moles Al 2.513e-006 2.513e-006 Equilibrium with K-feldspar K 1.043e-003 1.043e-003 Equilibrium with K_H Si 6.702e-004 6.702e-004 Equilibrium with K-mica ----------------------------Description of solution---------------------------- pH = 11.000 pe = 4.000 Specific Conductance (uS/cm, 25 oC) = 276 Density (g/cm3) = 0.99708 Activity of water = 1.000 Ionic strength = 1.366e-003 Mass of water (kg) = 1.000e+000 Total alkalinity (eq/kg) = 1.688e-003 Total carbon (mol/kg) = 0.000e+000 Total CO2 (mol/kg) = 0.000e+000 Temperature (deg C) = 25.00 Electrical balance (eq) = -6.380e-004 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -23.43 Iterations = 5 Total H = 1.110155e+002 Total O = 5.550995e+001 ----------------------------Distribution of species---------------------------- Log Log Log Species Molality Activity Molality Activity Gamma OH- 1.044e-003 1.001e-003 -2.981 -3.000 -0.018 H+ 1.040e-011 1.000e-011 -10.983 -11.000 -0.017 H2O 5.551e+001 1.000e+000 1.744 -0.000 0.000 Al 2.513e-006 Al(OH)4- 2.513e-006 2.412e-006 -5.600 -5.618 -0.018 Al(OH)3 1.279e-011 1.280e-011 -10.893 -10.893 0.000 Al(OH)2+ 9.051e-016 8.685e-016 -15.043 -15.061 -0.018 AlOH+2 1.307e-021 1.108e-021 -20.884 -20.955 -0.072 Al+3 1.586e-027 1.116e-027 -26.800 -26.952 -0.153 H(0) 1.415e-033 H2 7.077e-034 7.079e-034 -33.150 -33.150 0.000 K 1.043e-003 K+ 1.042e-003 1.000e-003 -2.982 -3.000 -0.018 KOH 3.466e-007 3.467e-007 -6.460 -6.460 0.000 O(0) 1.663e-026 O2 8.314e-027 8.317e-027 -26.080 -26.080 0.000 Si 6.702e-004 H3SiO4- 6.248e-004 5.995e-004 -3.204 -3.222 -0.018 H4SiO4 4.064e-005 4.066e-005 -4.391 -4.391 0.000 H2SiO4-2 4.811e-006 4.078e-006 -5.318 -5.390 -0.072 ------------------------------Saturation indices------------------------------- Phase SI log IAP log K(298 K, 1 atm) Al(OH)3(a) -4.75 6.05 10.80 Al(OH)3 Chalcedony -0.84 -4.39 -3.55 SiO2 Gibbsite -2.00 6.05 8.05 Al(OH)3 H2(g) -30.00 -33.15 -3.15 H2 H2O(g) -1.51 -0.00 1.51 H2O K-feldspar 0.00 0.88 0.88 KAlSi3O8 K-mica 0.00 12.97 12.97 KAl3Si3O10(OH)2 K_H 8.00 8.00 0.00 KH Kaolinite -2.39 3.31 5.71 Al2Si2O5(OH)4 O2(g) -23.19 -26.08 -2.89 O2 Quartz -0.41 -4.39 -3.98 SiO2 SiO2(a) -1.68 -4.39 -2.71 SiO2 Initial solution 2. -----------------------------Solution composition------------------------------ Elements Molality Moles Al 2.732e-010 2.732e-010 Equilibrium with K-feldspar K 2.666e-003 2.666e-003 Equilibrium with K-mica Si 6.412e-004 6.412e-004 Equilibrium with Kaolinite ----------------------------Description of solution---------------------------- pH = 7.000 pe = 4.000 Specific Conductance (uS/cm, 25 oC) = 191 Density (g/cm3) = 0.99713 Activity of water = 1.000 Ionic strength = 1.333e-003 Mass of water (kg) = 1.000e+000 Total alkalinity (eq/kg) = 9.852e-007 Total carbon (mol/kg) = 0.000e+000 Total CO2 (mol/kg) = 0.000e+000 Temperature (deg C) = 25.00 Electrical balance (eq) = 2.665e-003 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 99.92 Iterations = 7 Total H = 1.110150e+002 Total O = 5.550878e+001 ----------------------------Distribution of species---------------------------- Log Log Log Species Molality Activity Molality Activity Gamma OH- 1.043e-007 1.001e-007 -6.982 -7.000 -0.018 H+ 1.039e-007 1.000e-007 -6.983 -7.000 -0.017 H2O 5.551e+001 9.999e-001 1.744 -0.000 0.000 Al 2.732e-010 Al(OH)4- 2.512e-010 2.412e-010 -9.600 -9.618 -0.018 Al(OH)3 1.279e-011 1.280e-011 -10.893 -10.893 0.000 Al(OH)2+ 9.047e-012 8.685e-012 -11.043 -11.061 -0.018 AlOH+2 1.305e-013 1.108e-013 -12.884 -12.955 -0.071 Al+3 1.580e-015 1.116e-015 -14.801 -14.952 -0.151 H(0) 1.415e-025 H2 7.077e-026 7.079e-026 -25.150 -25.150 0.000 K 2.666e-003 K+ 2.666e-003 2.558e-003 -2.574 -2.592 -0.018 KOH 8.868e-011 8.870e-011 -10.052 -10.052 0.000 O(0) 0.000e+000 O2 0.000e+000 0.000e+000 -42.080 -42.080 0.000 Si 6.412e-004 H4SiO4 6.402e-004 6.404e-004 -3.194 -3.194 0.000 H3SiO4- 9.837e-007 9.443e-007 -6.007 -6.025 -0.018 H2SiO4-2 7.563e-013 6.423e-013 -12.121 -12.192 -0.071 ------------------------------Saturation indices------------------------------- Phase SI log IAP log K(298 K, 1 atm) Al(OH)3(a) -4.75 6.05 10.80 Al(OH)3 Chalcedony 0.36 -3.19 -3.55 SiO2 Gibbsite -2.00 6.05 8.05 Al(OH)3 H2(g) -22.00 -25.15 -3.15 H2 H2O(g) -1.51 -0.00 1.51 H2O K-feldspar 0.00 0.88 0.88 KAlSi3O8 K-mica -0.00 12.97 12.97 KAl3Si3O10(OH)2 K_H 4.41 4.41 0.00 KH Kaolinite -0.00 5.71 5.71 Al2Si2O5(OH)4 O2(g) -39.19 -42.08 -2.89 O2 Quartz 0.79 -3.19 -3.98 SiO2 SiO2(a) -0.48 -3.19 -2.71 SiO2 Initial solution 3. -----------------------------Solution composition------------------------------ Elements Molality Moles Al 2.741e-008 2.741e-008 Equilibrium with Gibbsite K 2.666e-003 2.666e-003 Equilibrium with K-mica Si 6.390e-006 6.390e-006 Equilibrium with Kaolinite ----------------------------Description of solution---------------------------- pH = 7.000 pe = 4.000 Specific Conductance (uS/cm, 25 oC) = 191 Density (g/cm3) = 0.99713 Activity of water = 1.000 Ionic strength = 1.333e-003 Mass of water (kg) = 1.000e+000 Total alkalinity (eq/kg) = 1.168e-007 Total carbon (mol/kg) = 0.000e+000 Total CO2 (mol/kg) = 0.000e+000 Temperature (deg C) = 25.00 Electrical balance (eq) = 2.666e-003 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 99.99 Iterations = 7 Total H = 1.110125e+002 Total O = 5.550624e+001 ----------------------------Distribution of species---------------------------- Log Log Log Species Molality Activity Molality Activity Gamma OH- 1.043e-007 1.001e-007 -6.982 -7.000 -0.018 H+ 1.039e-007 1.000e-007 -6.983 -7.000 -0.017 H2O 5.551e+001 1.000e+000 1.744 -0.000 0.000 Al 2.741e-008 Al(OH)4- 2.521e-008 2.420e-008 -7.598 -7.616 -0.018 Al(OH)3 1.284e-009 1.284e-009 -8.892 -8.891 0.000 Al(OH)2+ 9.079e-010 8.716e-010 -9.042 -9.060 -0.018 AlOH+2 1.309e-011 1.112e-011 -10.883 -10.954 -0.071 Al+3 1.585e-013 1.120e-013 -12.800 -12.951 -0.151 H(0) 1.415e-025 H2 7.077e-026 7.079e-026 -25.150 -25.150 0.000 K 2.666e-003 K+ 2.666e-003 2.558e-003 -2.574 -2.592 -0.018 KOH 8.868e-011 8.871e-011 -10.052 -10.052 0.000 O(0) 0.000e+000 O2 0.000e+000 0.000e+000 -42.080 -42.080 0.000 Si 6.390e-006 H4SiO4 6.380e-006 6.382e-006 -5.195 -5.195 0.000 H3SiO4- 9.802e-009 9.410e-009 -8.009 -8.026 -0.018 H2SiO4-2 7.537e-015 6.401e-015 -14.123 -14.194 -0.071 ------------------------------Saturation indices------------------------------- Phase SI log IAP log K(298 K, 1 atm) Al(OH)3(a) -2.75 8.05 10.80 Al(OH)3 Chalcedony -1.64 -5.20 -3.55 SiO2 Gibbsite -0.00 8.05 8.05 Al(OH)3 H2(g) -22.00 -25.15 -3.15 H2 H2O(g) -1.51 -0.00 1.51 H2O K-feldspar -4.00 -3.13 0.88 KAlSi3O8 K-mica -0.00 12.97 12.97 KAl3Si3O10(OH)2 K_H 4.41 4.41 0.00 KH Kaolinite -0.00 5.71 5.71 Al2Si2O5(OH)4 O2(g) -39.19 -42.08 -2.89 O2 Quartz -1.21 -5.20 -3.98 SiO2 SiO2(a) -2.48 -5.20 -2.71 SiO2 Initial solution 4. -----------------------------Solution composition------------------------------ Elements Molality Moles Al 2.638e-008 2.638e-008 Equilibrium with Gibbsite K 1.000e-008 1.000e-008 Equilibrium with K_H Si 6.392e-006 6.392e-006 Equilibrium with Kaolinite ----------------------------Description of solution---------------------------- pH = 7.000 pe = 4.000 Specific Conductance (uS/cm, 25 oC) = 0 Density (g/cm3) = 0.99705 Activity of water = 1.000 Ionic strength = 1.224e-007 Mass of water (kg) = 1.000e+000 Total alkalinity (eq/kg) = 1.120e-007 Total carbon (mol/kg) = 0.000e+000 Total CO2 (mol/kg) = 0.000e+000 Temperature (deg C) = 25.00 Electrical balance (eq) = -2.284e-008 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -9.33 Iterations = 6 Total H = 1.110125e+002 Total O = 5.550624e+001 ----------------------------Distribution of species---------------------------- Log Log Log Species Molality Activity Molality Activity Gamma OH- 1.001e-007 1.001e-007 -6.999 -7.000 -0.000 H+ 1.000e-007 1.000e-007 -7.000 -7.000 -0.000 H2O 5.551e+001 1.000e+000 1.744 -0.000 0.000 Al 2.638e-008 Al(OH)4- 2.421e-008 2.420e-008 -7.616 -7.616 -0.000 Al(OH)3 1.284e-009 1.284e-009 -8.891 -8.891 0.000 Al(OH)2+ 8.719e-010 8.715e-010 -9.060 -9.060 -0.000 AlOH+2 1.114e-011 1.112e-011 -10.953 -10.954 -0.001 Al+3 1.124e-013 1.119e-013 -12.949 -12.951 -0.002 H(0) 1.416e-025 H2 7.079e-026 7.079e-026 -25.150 -25.150 0.000 K 1.000e-008 K+ 1.000e-008 1.000e-008 -8.000 -8.000 -0.000 KOH 3.467e-016 3.467e-016 -15.460 -15.460 0.000 O(0) 0.000e+000 O2 0.000e+000 0.000e+000 -42.080 -42.080 0.000 Si 6.392e-006 H4SiO4 6.383e-006 6.383e-006 -5.195 -5.195 0.000 H3SiO4- 9.415e-009 9.411e-009 -8.026 -8.026 -0.000 H2SiO4-2 6.412e-015 6.402e-015 -14.193 -14.194 -0.001 ------------------------------Saturation indices------------------------------- Phase SI log IAP log K(298 K, 1 atm) Al(OH)3(a) -2.75 8.05 10.80 Al(OH)3 Chalcedony -1.64 -5.20 -3.55 SiO2 Gibbsite -0.00 8.05 8.05 Al(OH)3 H2(g) -22.00 -25.15 -3.15 H2 H2O(g) -1.51 -0.00 1.51 H2O K-feldspar -9.41 -8.54 0.88 KAlSi3O8 K-mica -5.41 7.56 12.97 KAl3Si3O10(OH)2 K_H -1.00 -1.00 0.00 KH Kaolinite -0.00 5.71 5.71 Al2Si2O5(OH)4 O2(g) -39.19 -42.08 -2.89 O2 Quartz -1.21 -5.20 -3.98 SiO2 SiO2(a) -2.48 -5.20 -2.71 SiO2 ------------------ End of simulation. ------------------ ------------------------------------- Reading input data for simulation 12. ------------------------------------- ----------- End of run. 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