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 Simulation 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 ----- Simulation 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 = 6.997 Charge balance pe = 4.000 Specific Conductance (uS/cm, 25 oC) = 0 Density (g/cm3) = 0.99704 Volume (L) = 1.00297 Activity of water = 1.000 Ionic strength = 1.006e-007 Mass of water (kg) = 1.000e+000 Total alkalinity (eq/kg) = 3.040e-017 Total carbon (mol/kg) = 0.000e+000 Total CO2 (mol/kg) = 0.000e+000 Temperature (deg C) = 25.00 Electrical balance (eq) = -3.040e-017 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 mole V Species Molality Activity Molality Activity Gamma cm3/mol OH- 1.006e-007 1.006e-007 -6.997 -6.997 -0.000 -4.14 H+ 1.006e-007 1.006e-007 -6.997 -6.997 -0.000 0.00 H2O 5.551e+001 1.000e+000 1.744 -0.000 0.000 18.07 H(0) 1.433e-025 H2 7.166e-026 7.166e-026 -25.145 -25.145 0.000 28.61 O(0) 0.000e+000 O2 0.000e+000 0.000e+000 -42.090 -42.090 0.000 30.40 ------------------------------Saturation indices------------------------------- Phase SI log IAP log K(298 K, 1 atm) H2(g) -22.04 -25.14 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O O2(g) -39.20 -42.09 -2.89 O2 ------------------ End of simulation. ------------------ ------------------------------------ Reading input data for simulation 2. ------------------------------------ TITLE Simulation 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 Simulation 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 ----- Simulation 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 -2.658e-008 K-feldspar -14.69 -13.82 0.88 0.000e+000 0 0.000e+000 K-mica -10.69 2.28 12.97 0.000e+000 0 0.000e+000 Kaolinite -3.81 1.90 5.71 0.000e+000 0 0.000e+000 -----------------------------Solution composition------------------------------ Elements Molality Moles Al 2.658e-008 2.658e-008 K 2.658e-008 2.658e-008 Si 7.974e-008 7.974e-008 ----------------------------Description of solution---------------------------- pH = 7.004 Charge balance pe = 10.368 Adjusted to redox equilibrium Specific Conductance (uS/cm, 25 oC) = 0 Density (g/cm3) = 0.99704 Volume (L) = 1.00297 Activity of water = 1.000 Ionic strength = 1.267e-007 Mass of water (kg) = 1.000e+000 Total alkalinity (eq/kg) = 1.063e-007 Total carbon (mol/kg) = 0.000e+000 Total CO2 (mol/kg) = 0.000e+000 Temperature (deg C) = 25.00 Electrical balance (eq) = -3.065e-017 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 mole V Species Molality Activity Molality Activity Gamma cm3/mol OH- 1.021e-007 1.021e-007 -6.991 -6.991 -0.000 -4.14 H+ 9.919e-008 9.915e-008 -7.004 -7.004 -0.000 0.00 H2O 5.551e+001 1.000e+000 1.744 -0.000 0.000 18.07 Al 2.658e-008 Al(OH)4- 2.442e-008 2.441e-008 -7.612 -7.612 -0.000 (0) Al(OH)3 1.284e-009 1.284e-009 -8.891 -8.891 0.000 (0) Al(OH)2+ 8.645e-010 8.641e-010 -9.063 -9.063 -0.000 (0) AlOH+2 1.095e-011 1.093e-011 -10.961 -10.961 -0.001 -27.81 Al+3 1.095e-013 1.091e-013 -12.960 -12.962 -0.002 -44.55 H(0) 2.553e-038 H2 1.276e-038 1.276e-038 -37.894 -37.894 0.000 28.61 K 2.658e-008 K+ 2.658e-008 2.657e-008 -7.575 -7.576 -0.000 8.98 O(0) 5.119e-017 O2 2.559e-017 2.559e-017 -16.592 -16.592 0.000 30.40 Si 7.974e-008 H4SiO4 7.962e-008 7.962e-008 -7.099 -7.099 0.000 52.08 H3SiO4- 1.184e-010 1.184e-010 -9.926 -9.927 -0.000 27.94 H2SiO4-2 8.136e-017 8.123e-017 -16.090 -16.090 -0.001 (0) ------------------------------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) -34.79 -37.89 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O K-feldspar -14.69 -13.82 0.88 KAlSi3O8 K-mica -10.69 2.28 12.97 KAl3Si3O10(OH)2 Kaolinite -3.81 1.90 5.71 Al2Si2O5(OH)4 O2(g) -13.70 -16.59 -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 Simulation 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 ----- Simulation 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 1.785e-006 1.785e-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 -2.178e-006 -----------------------------Solution composition------------------------------ Elements Molality Moles Al 3.935e-007 3.935e-007 K 2.178e-006 2.178e-006 Si 6.535e-006 6.535e-006 ----------------------------Description of solution---------------------------- pH = 8.209 Charge balance pe = 9.163 Adjusted to redox equilibrium Specific Conductance (uS/cm, 25 oC) = 0 Density (g/cm3) = 0.99704 Volume (L) = 1.00297 Activity of water = 1.000 Ionic strength = 2.185e-006 Mass of water (kg) = 1.000e+000 Total alkalinity (eq/kg) = 3.359e-006 Total carbon (mol/kg) = 0.000e+000 Total CO2 (mol/kg) = 0.000e+000 Temperature (deg C) = 25.00 Electrical balance (eq) = -3.044e-017 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 14 Total H = 1.110124e+002 Total O = 5.550623e+001 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm3/mol OH- 1.640e-006 1.637e-006 -5.785 -5.786 -0.001 -4.14 H+ 6.193e-009 6.182e-009 -8.208 -8.209 -0.001 0.00 H2O 5.551e+001 1.000e+000 1.744 -0.000 0.000 18.07 Al 3.935e-007 Al(OH)4- 3.921e-007 3.915e-007 -6.407 -6.407 -0.001 (0) Al(OH)3 1.284e-009 1.284e-009 -8.891 -8.891 0.000 (0) Al(OH)2+ 5.397e-011 5.388e-011 -10.268 -10.269 -0.001 (0) AlOH+2 4.280e-014 4.250e-014 -13.369 -13.372 -0.003 -27.80 Al+3 2.687e-017 2.645e-017 -16.571 -16.578 -0.007 -44.54 H(0) 2.557e-038 H2 1.279e-038 1.279e-038 -37.893 -37.893 0.000 28.61 K 2.178e-006 K+ 2.178e-006 2.175e-006 -5.662 -5.663 -0.001 8.98 O(0) 5.099e-017 O2 2.550e-017 2.550e-017 -16.594 -16.594 0.000 30.40 Si 6.535e-006 H4SiO4 6.383e-006 6.383e-006 -5.195 -5.195 0.000 52.08 H3SiO4- 1.525e-007 1.522e-007 -6.817 -6.818 -0.001 27.95 H2SiO4-2 1.687e-012 1.675e-012 -11.773 -11.776 -0.003 (0) ------------------------------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) -34.79 -37.89 -3.10 H2 H2O(g) -1.50 -0.00 1.50 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) -13.70 -16.59 -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 Simulation 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 ----- Simulation 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 -2.54 -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 -2.010e-005 Kaolinite -0.00 5.71 5.71 0.000e+000 9.760e-006 9.760e-006 -----------------------------Solution composition------------------------------ Elements Molality Moles Al 5.799e-007 5.799e-007 K 2.010e-005 2.010e-005 Si 4.078e-005 4.078e-005 ----------------------------Description of solution---------------------------- pH = 9.107 Charge balance pe = 8.265 Adjusted to redox equilibrium Specific Conductance (uS/cm, 25 oC) = 4 Density (g/cm3) = 0.99705 Volume (L) = 1.00297 Activity of water = 1.000 Ionic strength = 2.010e-005 Mass of water (kg) = 1.000e+000 Total alkalinity (eq/kg) = 2.184e-005 Total carbon (mol/kg) = 0.000e+000 Total CO2 (mol/kg) = 0.000e+000 Temperature (deg C) = 25.00 Electrical balance (eq) = 1.180e-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 mole V Species Molality Activity Molality Activity Gamma cm3/mol OH- 1.302e-005 1.295e-005 -4.885 -4.888 -0.002 -4.13 H+ 7.856e-010 7.815e-010 -9.105 -9.107 -0.002 0.00 H2O 5.551e+001 1.000e+000 1.744 -0.000 0.000 18.07 Al 5.799e-007 Al(OH)4- 5.796e-007 5.766e-007 -6.237 -6.239 -0.002 (0) Al(OH)3 2.391e-010 2.391e-010 -9.621 -9.621 0.000 (0) Al(OH)2+ 1.275e-012 1.268e-012 -11.895 -11.897 -0.002 (0) AlOH+2 1.291e-016 1.265e-016 -15.889 -15.898 -0.009 -27.79 Al+3 1.043e-020 9.949e-021 -19.982 -20.002 -0.020 -44.52 H(0) 2.557e-038 H2 1.279e-038 1.279e-038 -37.893 -37.893 0.000 28.61 K 2.010e-005 K+ 2.010e-005 2.000e-005 -4.697 -4.699 -0.002 8.98 O(0) 5.100e-017 O2 2.550e-017 2.550e-017 -16.593 -16.593 0.000 30.40 Si 4.078e-005 H4SiO4 3.428e-005 3.428e-005 -4.465 -4.465 0.000 52.08 H3SiO4- 6.501e-006 6.468e-006 -5.187 -5.189 -0.002 27.95 H2SiO4-2 5.748e-010 5.629e-010 -9.240 -9.250 -0.009 (0) ------------------------------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 -0.91 -4.46 -3.55 SiO2 Gibbsite -0.73 7.32 8.05 Al(OH)3 H2(g) -34.79 -37.89 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O K-feldspar -2.54 -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) -13.70 -16.59 -2.89 O2 Quartz -0.48 -4.46 -3.98 SiO2 SiO2(a) -1.75 -4.46 -2.71 SiO2 ------------------ End of simulation. ------------------ ------------------------------------ Reading input data for simulation 5. ------------------------------------ TITLE Simulation 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 ----- Simulation 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 6.362e-005 6.362e-005 Kaolinite -0.72 4.99 5.71 0.000e+000 0 0.000e+000 -----------------------------Solution composition------------------------------ Elements Molality Moles Al 5.973e-008 5.973e-008 K 1.273e-004 1.273e-004 Si 3.819e-004 3.819e-004 ----------------------------Description of solution---------------------------- pH = 9.388 Charge balance pe = 7.984 Adjusted to redox equilibrium Specific Conductance (uS/cm, 25 oC) = 14 Density (g/cm3) = 0.99707 Volume (L) = 1.00298 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) = 1.290e-016 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 mole V Species Molality Activity Molality Activity Gamma cm3/mol OH- 2.506e-005 2.474e-005 -4.601 -4.607 -0.006 -4.13 H+ 4.144e-010 4.092e-010 -9.383 -9.388 -0.006 0.00 H2O 5.551e+001 1.000e+000 1.744 -0.000 0.000 18.07 Al 5.973e-008 Al(OH)4- 5.972e-008 5.895e-008 -7.224 -7.230 -0.006 (0) Al(OH)3 1.280e-011 1.280e-011 -10.893 -10.893 0.000 (0) Al(OH)2+ 3.600e-014 3.554e-014 -13.444 -13.449 -0.006 (0) AlOH+2 1.954e-018 1.855e-018 -17.709 -17.732 -0.023 -27.77 Al+3 8.576e-023 7.641e-023 -22.067 -22.117 -0.050 -44.46 H(0) 2.557e-038 H2 1.278e-038 1.278e-038 -37.893 -37.893 0.000 28.61 K 1.273e-004 K+ 1.273e-004 1.256e-004 -3.895 -3.901 -0.006 8.99 O(0) 5.101e-017 O2 2.551e-017 2.551e-017 -16.593 -16.593 0.000 30.40 Si 3.819e-004 H4SiO4 2.797e-004 2.797e-004 -3.553 -3.553 0.000 52.08 H3SiO4- 1.021e-004 1.008e-004 -3.991 -3.996 -0.006 27.95 H2SiO4-2 1.765e-008 1.676e-008 -7.753 -7.776 -0.023 (0) ------------------------------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) -34.79 -37.89 -3.10 H2 H2O(g) -1.50 -0.00 1.50 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) -13.70 -16.59 -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 Simulation 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 ----- Simulation 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 -3.025e-006 Kaolinite -0.00 5.71 5.71 1.000e+000 1.000e+000 1.240e-006 -----------------------------Solution composition------------------------------ Elements Molality Moles Al 5.450e-007 5.450e-007 K 3.025e-006 3.025e-006 Si 6.594e-006 6.594e-006 ----------------------------Description of solution---------------------------- pH = 8.351 Charge balance pe = 9.021 Adjusted to redox equilibrium Specific Conductance (uS/cm, 25 oC) = 0 Density (g/cm3) = 0.99704 Volume (L) = 1.00297 Activity of water = 1.000 Ionic strength = 3.029e-006 Mass of water (kg) = 1.000e+000 Total alkalinity (eq/kg) = 4.660e-006 Total carbon (mol/kg) = 0.000e+000 Total CO2 (mol/kg) = 0.000e+000 Temperature (deg C) = 25.00 Electrical balance (eq) = -4.602e-016 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 mole V Species Molality Activity Molality Activity Gamma cm3/mol OH- 2.274e-006 2.269e-006 -5.643 -5.644 -0.001 -4.14 H+ 4.469e-009 4.460e-009 -8.350 -8.351 -0.001 0.00 H2O 5.551e+001 1.000e+000 1.744 -0.000 0.000 18.07 Al 5.450e-007 Al(OH)4- 5.437e-007 5.426e-007 -6.265 -6.266 -0.001 (0) Al(OH)3 1.284e-009 1.284e-009 -8.891 -8.891 0.000 (0) Al(OH)2+ 3.895e-011 3.887e-011 -10.409 -10.410 -0.001 (0) AlOH+2 2.230e-014 2.212e-014 -13.652 -13.655 -0.004 -27.80 Al+3 1.012e-017 9.934e-018 -16.995 -17.003 -0.008 -44.54 H(0) 2.557e-038 H2 1.279e-038 1.279e-038 -37.893 -37.893 0.000 28.61 K 3.025e-006 K+ 3.025e-006 3.018e-006 -5.519 -5.520 -0.001 8.98 O(0) 5.099e-017 O2 2.549e-017 2.549e-017 -16.594 -16.594 0.000 30.40 Si 6.594e-006 H4SiO4 6.383e-006 6.383e-006 -5.195 -5.195 0.000 52.08 H3SiO4- 2.114e-007 2.110e-007 -6.675 -6.676 -0.001 27.95 H2SiO4-2 3.244e-012 3.218e-012 -11.489 -11.492 -0.004 (0) ------------------------------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) -34.79 -37.89 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O K-feldspar -5.58 -4.71 0.88 KAlSi3O8 K-mica -1.58 11.39 12.97 KAl3Si3O10(OH)2 Kaolinite -0.00 5.71 5.71 Al2Si2O5(OH)4 O2(g) -13.70 -16.59 -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 Simulation 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 ----- Simulation 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 1.083e-005 Kaolinite -0.00 5.71 5.71 KAlSi3O8 is reactant 1.000e+001 1.000e+001 -3.281e-005 -----------------------------Solution composition------------------------------ Elements Molality Moles Al 3.235e-007 3.235e-007 K 2.198e-005 2.198e-005 Si 6.595e-005 6.595e-005 ----------------------------Description of solution---------------------------- pH = 9.068 Charge balance pe = -3.259 Adjusted to redox equilibrium Specific Conductance (uS/cm, 25 oC) = 3 Density (g/cm3) = 0.99705 Volume (L) = 1.00297 Activity of water = 1.000 Ionic strength = 2.199e-005 Mass of water (kg) = 1.000e+000 Total alkalinity (eq/kg) = 2.295e-005 Total carbon (mol/kg) = 0.000e+000 Total CO2 (mol/kg) = 0.000e+000 Temperature (deg C) = 25.00 Electrical balance (eq) = -6.401e-014 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 12 Total H = 1.110124e+002 Total O = 5.550635e+001 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm3/mol OH- 1.191e-005 1.184e-005 -4.924 -4.926 -0.002 -4.13 H+ 8.592e-010 8.545e-010 -9.066 -9.068 -0.002 0.00 H2O 5.551e+001 1.000e+000 1.744 -0.000 0.000 18.07 Al 3.235e-007 Al(OH)4- 3.234e-007 3.216e-007 -6.490 -6.493 -0.002 (0) Al(OH)3 1.458e-010 1.458e-010 -9.836 -9.836 0.000 (0) Al(OH)2+ 8.504e-013 8.458e-013 -12.070 -12.073 -0.002 (0) AlOH+2 9.425e-017 9.222e-017 -16.026 -16.035 -0.009 -27.79 Al+3 8.331e-021 7.933e-021 -20.079 -20.101 -0.021 -44.52 H(0) 3.401e-015 H2 1.701e-015 1.701e-015 -14.769 -14.769 0.000 28.61 K 2.198e-005 K+ 2.198e-005 2.186e-005 -4.658 -4.660 -0.002 8.98 O(0) 0.000e+000 O2 0.000e+000 0.000e+000 -62.841 -62.841 0.000 30.40 Si 6.595e-005 H4SiO4 5.620e-005 5.620e-005 -4.250 -4.250 0.000 52.08 H3SiO4- 9.751e-006 9.697e-006 -5.011 -5.013 -0.002 27.95 H2SiO4-2 7.890e-010 7.719e-010 -9.103 -9.112 -0.009 (0) ------------------------------Saturation indices------------------------------- Phase SI log IAP log K(298 K, 1 atm) Al(OH)3(a) -3.70 7.10 10.80 Al(OH)3 Chalcedony -0.70 -4.25 -3.55 SiO2 Gibbsite -0.94 7.10 8.05 Al(OH)3 H2(g) -11.67 -14.77 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O K-feldspar -2.11 -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) -59.95 -62.84 -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 Simulation 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 ----- Simulation 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. 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 1.200e-008 1.200e-008 K-feldspar -13.96 -13.08 0.88 0.000e+000 0 0.000e+000 K-mica -9.96 3.01 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 2.800e-008 2.800e-008 K 4.000e-008 4.000e-008 Si 1.200e-007 1.200e-007 ----------------------------Description of solution---------------------------- pH = 7.029 Charge balance pe = -1.250 Adjusted to redox equilibrium Specific Conductance (uS/cm, 25 oC) = 0 Density (g/cm3) = 0.99704 Volume (L) = 1.00297 Activity of water = 1.000 Ionic strength = 1.344e-007 Mass of water (kg) = 1.000e+000 Total alkalinity (eq/kg) = 1.240e-007 Total carbon (mol/kg) = 0.000e+000 Total CO2 (mol/kg) = 0.000e+000 Temperature (deg C) = 25.00 Electrical balance (eq) = -3.040e-017 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 mole V Species Molality Activity Molality Activity Gamma cm3/mol OH- 1.083e-007 1.082e-007 -6.965 -6.966 -0.000 -4.14 H+ 9.354e-008 9.350e-008 -7.029 -7.029 -0.000 0.00 H2O 5.551e+001 1.000e+000 1.744 -0.000 0.000 18.07 Al 2.800e-008 Al(OH)4- 2.589e-008 2.588e-008 -7.587 -7.587 -0.000 (0) Al(OH)3 1.284e-009 1.284e-009 -8.891 -8.891 0.000 (0) Al(OH)2+ 8.152e-010 8.149e-010 -9.089 -9.089 -0.000 (0) AlOH+2 9.738e-012 9.722e-012 -11.012 -11.012 -0.001 -27.81 Al+3 9.187e-014 9.151e-014 -13.037 -13.039 -0.002 -44.55 H(0) 3.920e-015 H2 1.960e-015 1.960e-015 -14.708 -14.708 0.000 28.61 K 4.000e-008 K+ 4.000e-008 3.998e-008 -7.398 -7.398 -0.000 8.98 O(0) 0.000e+000 O2 0.000e+000 0.000e+000 -62.965 -62.965 0.000 30.40 Si 1.200e-007 H4SiO4 1.198e-007 1.198e-007 -6.922 -6.922 0.000 52.08 H3SiO4- 1.890e-010 1.889e-010 -9.723 -9.724 -0.000 27.94 H2SiO4-2 1.377e-016 1.374e-016 -15.861 -15.862 -0.001 (0) ------------------------------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) -11.61 -14.71 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O K-feldspar -13.96 -13.08 0.88 KAlSi3O8 K-mica -9.96 3.01 12.97 KAl3Si3O10(OH)2 Kaolinite -3.45 2.25 5.71 Al2Si2O5(OH)4 O2(g) -60.07 -62.96 -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. 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 4.731e-008 4.731e-008 K-feldspar -12.68 -11.81 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 3.269e-008 3.269e-008 K 8.000e-008 8.000e-008 Si 2.400e-007 2.400e-007 ----------------------------Description of solution---------------------------- pH = 7.103 Charge balance pe = 10.720 Adjusted to redox equilibrium Specific Conductance (uS/cm, 25 oC) = 0 Density (g/cm3) = 0.99704 Volume (L) = 1.00297 Activity of water = 1.000 Ionic strength = 1.596e-007 Mass of water (kg) = 1.000e+000 Total alkalinity (eq/kg) = 1.781e-007 Total carbon (mol/kg) = 0.000e+000 Total CO2 (mol/kg) = 0.000e+000 Temperature (deg C) = 25.00 Electrical balance (eq) = -3.040e-017 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 mole V Species Molality Activity Molality Activity Gamma cm3/mol OH- 1.284e-007 1.284e-007 -6.891 -6.892 -0.000 -4.14 H+ 7.888e-008 7.885e-008 -7.103 -7.103 -0.000 0.00 H2O 5.551e+001 1.000e+000 1.744 -0.000 0.000 18.07 Al 3.269e-008 Al(OH)4- 3.071e-008 3.069e-008 -7.513 -7.513 -0.000 (0) Al(OH)3 1.284e-009 1.284e-009 -8.891 -8.891 0.000 (0) Al(OH)2+ 6.875e-010 6.872e-010 -9.163 -9.163 -0.000 (0) AlOH+2 6.926e-012 6.913e-012 -11.160 -11.160 -0.001 -27.81 Al+3 5.511e-014 5.487e-014 -13.259 -13.261 -0.002 -44.55 H(0) 3.203e-039 H2 1.602e-039 1.602e-039 -38.795 -38.795 0.000 28.61 K 8.000e-008 K+ 8.000e-008 7.996e-008 -7.097 -7.097 -0.000 8.98 O(0) 3.251e-015 O2 1.625e-015 1.625e-015 -14.789 -14.789 0.000 30.40 Si 2.400e-007 H4SiO4 2.396e-007 2.396e-007 -6.621 -6.621 0.000 52.08 H3SiO4- 4.482e-010 4.480e-010 -9.349 -9.349 -0.000 27.94 H2SiO4-2 3.872e-016 3.865e-016 -15.412 -15.413 -0.001 (0) ------------------------------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) -35.69 -38.80 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O K-feldspar -12.68 -11.81 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) -11.90 -14.79 -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. 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 1.163e-007 1.163e-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 4.369e-008 4.369e-008 K 1.600e-007 1.600e-007 Si 4.800e-007 4.800e-007 ----------------------------Description of solution---------------------------- pH = 7.238 Charge balance pe = -1.232 Adjusted to redox equilibrium Specific Conductance (uS/cm, 25 oC) = 0 Density (g/cm3) = 0.99704 Volume (L) = 1.00297 Activity of water = 1.000 Ionic strength = 2.183e-007 Mass of water (kg) = 1.000e+000 Total alkalinity (eq/kg) = 2.911e-007 Total carbon (mol/kg) = 0.000e+000 Total CO2 (mol/kg) = 0.000e+000 Temperature (deg C) = 25.00 Electrical balance (eq) = -2.121e-015 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 mole V Species Molality Activity Molality Activity Gamma cm3/mol OH- 1.752e-007 1.751e-007 -6.756 -6.757 -0.000 -4.14 H+ 5.783e-008 5.780e-008 -7.238 -7.238 -0.000 0.00 H2O 5.551e+001 1.000e+000 1.744 -0.000 0.000 18.07 Al 4.369e-008 Al(OH)4- 4.190e-008 4.187e-008 -7.378 -7.378 -0.000 (0) Al(OH)3 1.284e-009 1.284e-009 -8.891 -8.891 0.000 (0) Al(OH)2+ 5.040e-010 5.037e-010 -9.298 -9.298 -0.000 (0) AlOH+2 3.723e-012 3.714e-012 -11.429 -11.430 -0.001 -27.81 Al+3 2.172e-014 2.161e-014 -13.663 -13.665 -0.002 -44.55 H(0) 1.378e-015 H2 6.889e-016 6.889e-016 -15.162 -15.162 0.000 28.61 K 1.600e-007 K+ 1.600e-007 1.599e-007 -6.796 -6.796 -0.000 8.98 O(0) 0.000e+000 O2 0.000e+000 0.000e+000 -62.056 -62.056 0.000 30.40 Si 4.800e-007 H4SiO4 4.788e-007 4.788e-007 -6.320 -6.320 0.000 52.08 H3SiO4- 1.222e-009 1.221e-009 -8.913 -8.913 -0.000 27.94 H2SiO4-2 1.441e-015 1.438e-015 -14.841 -14.842 -0.001 (0) ------------------------------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) -12.06 -15.16 -3.10 H2 H2O(g) -1.50 -0.00 1.50 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) -59.16 -62.06 -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. 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 2.505e-007 2.505e-007 K-feldspar -9.93 -9.06 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 6.953e-008 6.953e-008 K 3.200e-007 3.200e-007 Si 9.600e-007 9.600e-007 ----------------------------Description of solution---------------------------- pH = 7.448 Charge balance pe = -1.590 Adjusted to redox equilibrium Specific Conductance (uS/cm, 25 oC) = 0 Density (g/cm3) = 0.99704 Volume (L) = 1.00297 Activity of water = 1.000 Ionic strength = 3.560e-007 Mass of water (kg) = 1.000e+000 Total alkalinity (eq/kg) = 5.286e-007 Total carbon (mol/kg) = 0.000e+000 Total CO2 (mol/kg) = 0.000e+000 Temperature (deg C) = 25.00 Electrical balance (eq) = -3.042e-017 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 mole V Species Molality Activity Molality Activity Gamma cm3/mol OH- 2.841e-007 2.839e-007 -6.547 -6.547 -0.000 -4.14 H+ 3.568e-008 3.565e-008 -7.448 -7.448 -0.000 0.00 H2O 5.551e+001 1.000e+000 1.744 -0.000 0.000 18.07 Al 6.953e-008 Al(OH)4- 6.793e-008 6.788e-008 -7.168 -7.168 -0.000 (0) Al(OH)3 1.284e-009 1.284e-009 -8.891 -8.891 0.000 (0) Al(OH)2+ 3.109e-010 3.107e-010 -9.507 -9.508 -0.000 (0) AlOH+2 1.417e-012 1.413e-012 -11.849 -11.850 -0.001 -27.81 Al+3 5.105e-015 5.073e-015 -14.292 -14.295 -0.003 -44.55 H(0) 2.725e-015 H2 1.363e-015 1.363e-015 -14.866 -14.866 0.000 28.61 K 3.200e-007 K+ 3.200e-007 3.198e-007 -6.495 -6.495 -0.000 8.98 O(0) 0.000e+000 O2 0.000e+000 0.000e+000 -62.649 -62.649 0.000 30.40 Si 9.600e-007 H4SiO4 9.560e-007 9.560e-007 -6.020 -6.020 0.000 52.08 H3SiO4- 3.957e-009 3.954e-009 -8.403 -8.403 -0.000 27.94 H2SiO4-2 7.565e-015 7.544e-015 -14.121 -14.122 -0.001 (0) ------------------------------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) -11.76 -14.87 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O K-feldspar -9.93 -9.06 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) -59.76 -62.65 -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. 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 5.140e-007 5.140e-007 K-feldspar -8.47 -7.59 0.88 0.000e+000 0 0.000e+000 K-mica -4.47 8.50 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 1.260e-007 1.260e-007 K 6.400e-007 6.400e-007 Si 1.920e-006 1.920e-006 ----------------------------Description of solution---------------------------- pH = 7.711 Charge balance pe = -2.002 Adjusted to redox equilibrium Specific Conductance (uS/cm, 25 oC) = 0 Density (g/cm3) = 0.99704 Volume (L) = 1.00297 Activity of water = 1.000 Ionic strength = 6.596e-007 Mass of water (kg) = 1.000e+000 Total alkalinity (eq/kg) = 1.018e-006 Total carbon (mol/kg) = 0.000e+000 Total CO2 (mol/kg) = 0.000e+000 Temperature (deg C) = 25.00 Electrical balance (eq) = -1.374e-016 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 mole V Species Molality Activity Molality Activity Gamma cm3/mol OH- 5.207e-007 5.202e-007 -6.283 -6.284 -0.000 -4.14 H+ 1.948e-008 1.946e-008 -7.711 -7.711 -0.000 0.00 H2O 5.551e+001 1.000e+000 1.744 -0.000 0.000 18.07 Al 1.260e-007 Al(OH)4- 1.245e-007 1.244e-007 -6.905 -6.905 -0.000 (0) Al(OH)3 1.284e-009 1.284e-009 -8.891 -8.891 0.000 (0) Al(OH)2+ 1.697e-010 1.696e-010 -9.770 -9.771 -0.000 (0) AlOH+2 4.226e-013 4.210e-013 -12.374 -12.376 -0.002 -27.81 Al+3 8.317e-016 8.246e-016 -15.080 -15.084 -0.004 -44.55 H(0) 5.420e-015 H2 2.710e-015 2.710e-015 -14.567 -14.567 0.000 28.61 K 6.400e-007 K+ 6.400e-007 6.394e-007 -6.194 -6.194 -0.000 8.98 O(0) 0.000e+000 O2 0.000e+000 0.000e+000 -63.246 -63.246 0.000 30.40 Si 1.920e-006 H4SiO4 1.906e-006 1.906e-006 -5.720 -5.720 0.000 52.08 H3SiO4- 1.445e-008 1.444e-008 -7.840 -7.840 -0.000 27.94 H2SiO4-2 5.068e-014 5.048e-014 -13.295 -13.297 -0.002 (0) ------------------------------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) -11.47 -14.57 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O K-feldspar -8.47 -7.59 0.88 KAlSi3O8 K-mica -4.47 8.50 12.97 KAl3Si3O10(OH)2 Kaolinite -1.05 4.66 5.71 Al2Si2O5(OH)4 O2(g) -60.35 -63.25 -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. 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 8.097e-007 8.097e-007 K-feldspar -7.52 -6.64 0.88 0.000e+000 0 0.000e+000 K-mica -3.52 9.45 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 1.903e-007 1.903e-007 K 1.000e-006 1.000e-006 Si 3.000e-006 3.000e-006 ----------------------------Description of solution---------------------------- pH = 7.892 Charge balance pe = 9.814 Adjusted to redox equilibrium Specific Conductance (uS/cm, 25 oC) = 0 Density (g/cm3) = 0.99704 Volume (L) = 1.00297 Activity of water = 1.000 Ionic strength = 1.013e-006 Mass of water (kg) = 1.000e+000 Total alkalinity (eq/kg) = 1.571e-006 Total carbon (mol/kg) = 0.000e+000 Total CO2 (mol/kg) = 0.000e+000 Temperature (deg C) = 25.00 Electrical balance (eq) = -4.791e-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 mole V Species Molality Activity Molality Activity Gamma cm3/mol OH- 7.899e-007 7.890e-007 -6.102 -6.103 -0.001 -4.14 H+ 1.284e-008 1.283e-008 -7.891 -7.892 -0.001 0.00 H2O 5.551e+001 1.000e+000 1.744 -0.000 0.000 18.07 Al 1.903e-007 Al(OH)4- 1.889e-007 1.887e-007 -6.724 -6.724 -0.001 (0) Al(OH)3 1.284e-009 1.284e-009 -8.891 -8.891 0.000 (0) Al(OH)2+ 1.119e-010 1.118e-010 -9.951 -9.952 -0.001 (0) AlOH+2 1.839e-013 1.830e-013 -12.736 -12.738 -0.002 -27.81 Al+3 2.388e-016 2.363e-016 -15.622 -15.626 -0.005 -44.55 H(0) 5.499e-039 H2 2.749e-039 2.749e-039 -38.561 -38.561 0.000 28.61 K 1.000e-006 K+ 1.000e-006 9.988e-007 -6.000 -6.001 -0.001 8.98 O(0) 1.103e-015 O2 5.515e-016 5.515e-016 -15.258 -15.258 0.000 30.40 Si 3.000e-006 H4SiO4 2.966e-006 2.966e-006 -5.528 -5.528 0.000 52.08 H3SiO4- 3.413e-008 3.409e-008 -7.467 -7.467 -0.001 27.94 H2SiO4-2 1.816e-013 1.808e-013 -12.741 -12.743 -0.002 (0) ------------------------------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) -35.46 -38.56 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O K-feldspar -7.52 -6.64 0.88 KAlSi3O8 K-mica -3.52 9.45 12.97 KAl3Si3O10(OH)2 Kaolinite -0.67 5.04 5.71 Al2Si2O5(OH)4 O2(g) -12.37 -15.26 -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. 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 1.636e-006 1.636e-006 K-feldspar -6.05 -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 3.636e-007 3.636e-007 K 2.000e-006 2.000e-006 Si 6.000e-006 6.000e-006 ----------------------------Description of solution---------------------------- pH = 8.174 Charge balance pe = 9.607 Adjusted to redox equilibrium Specific Conductance (uS/cm, 25 oC) = 0 Density (g/cm3) = 0.99704 Volume (L) = 1.00297 Activity of water = 1.000 Ionic strength = 2.007e-006 Mass of water (kg) = 1.000e+000 Total alkalinity (eq/kg) = 3.091e-006 Total carbon (mol/kg) = 0.000e+000 Total CO2 (mol/kg) = 0.000e+000 Temperature (deg C) = 25.00 Electrical balance (eq) = -1.567e-016 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 11 Total H = 1.110124e+002 Total O = 5.550623e+001 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm3/mol OH- 1.515e-006 1.512e-006 -5.820 -5.820 -0.001 -4.14 H+ 6.703e-009 6.692e-009 -8.174 -8.174 -0.001 0.00 H2O 5.551e+001 1.000e+000 1.744 -0.000 0.000 18.07 Al 3.636e-007 Al(OH)4- 3.622e-007 3.616e-007 -6.441 -6.442 -0.001 (0) Al(OH)3 1.284e-009 1.284e-009 -8.891 -8.891 0.000 (0) Al(OH)2+ 5.842e-011 5.832e-011 -10.233 -10.234 -0.001 (0) AlOH+2 5.013e-014 4.980e-014 -13.300 -13.303 -0.003 -27.80 Al+3 3.406e-017 3.355e-017 -16.468 -16.474 -0.006 -44.54 H(0) 3.875e-039 H2 1.937e-039 1.937e-039 -38.713 -38.713 0.000 28.61 K 2.000e-006 K+ 2.000e-006 1.997e-006 -5.699 -5.700 -0.001 8.98 O(0) 2.221e-015 O2 1.111e-015 1.111e-015 -14.954 -14.954 0.000 30.40 Si 6.000e-006 H4SiO4 5.870e-006 5.870e-006 -5.231 -5.231 0.000 52.08 H3SiO4- 1.296e-007 1.293e-007 -6.888 -6.888 -0.001 27.95 H2SiO4-2 1.323e-012 1.315e-012 -11.878 -11.881 -0.003 (0) ------------------------------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) -35.61 -38.71 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O K-feldspar -6.05 -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) -12.06 -14.95 -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. 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 -4.24 0.88 0.000e+000 0 0.000e+000 K-mica -1.33 11.64 12.97 0.000e+000 0 0.000e+000 Kaolinite -0.00 5.71 5.71 0.000e+000 1.714e-006 1.714e-006 -----------------------------Solution composition------------------------------ Elements Molality Moles Al 5.714e-007 5.714e-007 K 4.000e-006 4.000e-006 Si 8.571e-006 8.571e-006 ----------------------------Description of solution---------------------------- pH = 8.480 Charge balance pe = -2.767 Adjusted to redox equilibrium Specific Conductance (uS/cm, 25 oC) = 0 Density (g/cm3) = 0.99704 Volume (L) = 1.00297 Activity of water = 1.000 Ionic strength = 4.003e-006 Mass of water (kg) = 1.000e+000 Total alkalinity (eq/kg) = 5.714e-006 Total carbon (mol/kg) = 0.000e+000 Total CO2 (mol/kg) = 0.000e+000 Temperature (deg C) = 25.00 Electrical balance (eq) = -2.400e-014 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 11 Total H = 1.110124e+002 Total O = 5.550623e+001 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm3/mol OH- 3.066e-006 3.059e-006 -5.513 -5.514 -0.001 -4.14 H+ 3.316e-009 3.309e-009 -8.479 -8.480 -0.001 0.00 H2O 5.551e+001 1.000e+000 1.744 -0.000 0.000 18.07 Al 5.714e-007 Al(OH)4- 5.704e-007 5.690e-007 -6.244 -6.245 -0.001 (0) Al(OH)3 9.989e-010 9.989e-010 -9.000 -9.000 0.000 (0) Al(OH)2+ 2.248e-011 2.243e-011 -10.648 -10.649 -0.001 (0) AlOH+2 9.558e-015 9.469e-015 -14.020 -14.024 -0.004 -27.80 Al+3 3.221e-018 3.154e-018 -17.492 -17.501 -0.009 -44.54 H(0) 5.295e-015 H2 2.648e-015 2.648e-015 -14.577 -14.577 0.000 28.61 K 4.000e-006 K+ 4.000e-006 3.991e-006 -5.398 -5.399 -0.001 8.98 O(0) 0.000e+000 O2 0.000e+000 0.000e+000 -63.226 -63.226 0.000 30.40 Si 8.571e-006 H4SiO4 8.205e-006 8.205e-006 -5.086 -5.086 0.000 52.08 H3SiO4- 3.665e-007 3.657e-007 -6.436 -6.437 -0.001 27.95 H2SiO4-2 7.589e-012 7.518e-012 -11.120 -11.124 -0.004 (0) ------------------------------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) -11.48 -14.58 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O K-feldspar -5.11 -4.24 0.88 KAlSi3O8 K-mica -1.33 11.64 12.97 KAl3Si3O10(OH)2 Kaolinite -0.00 5.71 5.71 Al2Si2O5(OH)4 O2(g) -60.33 -63.23 -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. 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 -3.98 -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 3.697e-006 3.697e-006 -----------------------------Solution composition------------------------------ Elements Molality Moles Al 6.057e-007 6.057e-007 K 8.000e-006 8.000e-006 Si 1.661e-005 1.661e-005 ----------------------------Description of solution---------------------------- pH = 8.775 Charge balance pe = 8.985 Adjusted to redox equilibrium Specific Conductance (uS/cm, 25 oC) = 1 Density (g/cm3) = 0.99704 Volume (L) = 1.00297 Activity of water = 1.000 Ionic strength = 8.002e-006 Mass of water (kg) = 1.000e+000 Total alkalinity (eq/kg) = 9.817e-006 Total carbon (mol/kg) = 0.000e+000 Total CO2 (mol/kg) = 0.000e+000 Temperature (deg C) = 25.00 Electrical balance (eq) = -3.043e-017 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 13 Total H = 1.110124e+002 Total O = 5.550625e+001 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm3/mol OH- 6.051e-006 6.031e-006 -5.218 -5.220 -0.001 -4.14 H+ 1.684e-009 1.678e-009 -8.774 -8.775 -0.001 0.00 H2O 5.551e+001 1.000e+000 1.744 -0.000 0.000 18.07 Al 6.057e-007 Al(OH)4- 6.052e-007 6.032e-007 -6.218 -6.220 -0.001 (0) Al(OH)3 5.371e-010 5.371e-010 -9.270 -9.270 0.000 (0) Al(OH)2+ 6.137e-012 6.117e-012 -11.212 -11.213 -0.001 (0) AlOH+2 1.327e-015 1.310e-015 -14.877 -14.883 -0.006 -27.80 Al+3 2.280e-019 2.213e-019 -18.642 -18.655 -0.013 -44.53 H(0) 4.275e-039 H2 2.137e-039 2.137e-039 -38.670 -38.670 0.000 28.61 K 8.000e-006 K+ 8.000e-006 7.974e-006 -5.097 -5.098 -0.001 8.98 O(0) 1.825e-015 O2 9.126e-016 9.126e-016 -15.040 -15.040 0.000 30.40 Si 1.661e-005 H4SiO4 1.526e-005 1.526e-005 -4.816 -4.816 0.000 52.08 H3SiO4- 1.345e-006 1.341e-006 -5.871 -5.873 -0.001 27.95 H2SiO4-2 5.507e-011 5.435e-011 -10.259 -10.265 -0.006 (0) ------------------------------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) -35.57 -38.67 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O K-feldspar -3.98 -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) -12.15 -15.04 -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. 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 7.703e-006 7.703e-006 -----------------------------Solution composition------------------------------ Elements Molality Moles Al 5.936e-007 5.936e-007 K 1.600e-005 1.600e-005 Si 3.259e-005 3.259e-005 ----------------------------Description of solution---------------------------- pH = 9.031 Charge balance pe = -3.375 Adjusted to redox equilibrium Specific Conductance (uS/cm, 25 oC) = 3 Density (g/cm3) = 0.99705 Volume (L) = 1.00297 Activity of water = 1.000 Ionic strength = 1.600e-005 Mass of water (kg) = 1.000e+000 Total alkalinity (eq/kg) = 1.778e-005 Total carbon (mol/kg) = 0.000e+000 Total CO2 (mol/kg) = 0.000e+000 Temperature (deg C) = 25.00 Electrical balance (eq) = -3.041e-017 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 mole V Species Molality Activity Molality Activity Gamma cm3/mol OH- 1.093e-005 1.088e-005 -4.961 -4.963 -0.002 -4.13 H+ 9.347e-010 9.304e-010 -9.029 -9.031 -0.002 0.00 H2O 5.551e+001 1.000e+000 1.744 -0.000 0.000 18.07 Al 5.936e-007 Al(OH)4- 5.933e-007 5.905e-007 -6.227 -6.229 -0.002 (0) Al(OH)3 2.915e-010 2.915e-010 -9.535 -9.535 0.000 (0) Al(OH)2+ 1.849e-012 1.841e-012 -11.733 -11.735 -0.002 (0) AlOH+2 2.226e-016 2.185e-016 -15.652 -15.661 -0.008 -27.79 Al+3 2.134e-020 2.046e-020 -19.671 -19.689 -0.018 -44.52 H(0) 6.880e-015 H2 3.440e-015 3.440e-015 -14.463 -14.463 0.000 28.61 K 1.600e-005 K+ 1.600e-005 1.593e-005 -4.796 -4.798 -0.002 8.98 O(0) 0.000e+000 O2 0.000e+000 0.000e+000 -63.453 -63.453 0.000 30.40 Si 3.259e-005 H4SiO4 2.812e-005 2.812e-005 -4.551 -4.551 0.000 52.08 H3SiO4- 4.477e-006 4.456e-006 -5.349 -5.351 -0.002 27.95 H2SiO4-2 3.319e-010 3.258e-010 -9.479 -9.487 -0.008 (0) ------------------------------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) -11.36 -14.46 -3.10 H2 H2O(g) -1.50 -0.00 1.50 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) -60.56 -63.45 -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. 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 1.014e-005 1.014e-005 Kaolinite -0.00 5.71 5.71 0.000e+000 6.295e-007 6.295e-007 -----------------------------Solution composition------------------------------ Elements Molality Moles Al 3.338e-007 3.338e-007 K 2.186e-005 2.186e-005 Si 6.433e-005 6.433e-005 ----------------------------Description of solution---------------------------- pH = 9.071 Charge balance pe = 8.470 Adjusted to redox equilibrium Specific Conductance (uS/cm, 25 oC) = 3 Density (g/cm3) = 0.99705 Volume (L) = 1.00297 Activity of water = 1.000 Ionic strength = 2.187e-005 Mass of water (kg) = 1.000e+000 Total alkalinity (eq/kg) = 2.287e-005 Total carbon (mol/kg) = 0.000e+000 Total CO2 (mol/kg) = 0.000e+000 Temperature (deg C) = 25.00 Electrical balance (eq) = 8.617e-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 mole V Species Molality Activity Molality Activity Gamma cm3/mol OH- 1.197e-005 1.191e-005 -4.922 -4.924 -0.002 -4.13 H+ 8.545e-010 8.499e-010 -9.068 -9.071 -0.002 0.00 H2O 5.551e+001 1.000e+000 1.744 -0.000 0.000 18.07 Al 3.338e-007 Al(OH)4- 3.336e-007 3.318e-007 -6.477 -6.479 -0.002 (0) Al(OH)3 1.496e-010 1.496e-010 -9.825 -9.825 0.000 (0) Al(OH)2+ 8.678e-013 8.630e-013 -12.062 -12.064 -0.002 (0) AlOH+2 9.565e-017 9.359e-017 -16.019 -16.029 -0.009 -27.79 Al+3 8.407e-021 8.007e-021 -20.075 -20.097 -0.021 -44.52 H(0) 1.177e-038 H2 5.884e-039 5.884e-039 -38.230 -38.230 0.000 28.61 K 2.186e-005 K+ 2.186e-005 2.175e-005 -4.660 -4.663 -0.002 8.98 O(0) 2.408e-016 O2 1.204e-016 1.204e-016 -15.919 -15.919 0.000 30.40 Si 6.433e-005 H4SiO4 5.478e-005 5.478e-005 -4.261 -4.261 0.000 52.08 H3SiO4- 9.556e-006 9.504e-006 -5.020 -5.022 -0.002 27.95 H2SiO4-2 7.774e-010 7.606e-010 -9.109 -9.119 -0.009 (0) ------------------------------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) -35.13 -38.23 -3.10 H2 H2O(g) -1.50 -0.00 1.50 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) -13.03 -15.92 -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. 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 6.70 8.05 0.000e+000 0 0.000e+000 K-feldspar -1.30 -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 -0.29 5.41 5.71 0.000e+000 0 0.000e+000 -----------------------------Solution composition------------------------------ Elements Molality Moles Al 1.804e-007 1.804e-007 K 4.273e-005 4.273e-005 Si 1.282e-004 1.282e-004 ----------------------------Description of solution---------------------------- pH = 9.223 Charge balance pe = 8.396 Adjusted to redox equilibrium Specific Conductance (uS/cm, 25 oC) = 6 Density (g/cm3) = 0.99705 Volume (L) = 1.00297 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) = -9.748e-014 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 17 Total H = 1.110124e+002 Total O = 5.550647e+001 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm3/mol OH- 1.704e-005 1.692e-005 -4.768 -4.772 -0.003 -4.13 H+ 6.029e-010 5.984e-010 -9.220 -9.223 -0.003 0.00 H2O 5.551e+001 1.000e+000 1.744 -0.000 0.000 18.07 Al 1.804e-007 Al(OH)4- 1.804e-007 1.790e-007 -6.744 -6.747 -0.003 (0) Al(OH)3 5.684e-011 5.684e-011 -10.245 -10.245 0.000 (0) Al(OH)2+ 2.326e-013 2.308e-013 -12.633 -12.637 -0.003 (0) AlOH+2 1.816e-017 1.762e-017 -16.741 -16.754 -0.013 -27.79 Al+3 1.136e-021 1.062e-021 -20.945 -20.974 -0.029 -44.50 H(0) 8.193e-039 H2 4.096e-039 4.096e-039 -38.388 -38.388 0.000 28.61 K 4.273e-005 K+ 4.273e-005 4.240e-005 -4.369 -4.373 -0.003 8.99 O(0) 4.969e-016 O2 2.484e-016 2.484e-016 -15.605 -15.605 0.000 30.40 Si 1.282e-004 H4SiO4 1.027e-004 1.027e-004 -3.989 -3.989 0.000 52.08 H3SiO4- 2.550e-005 2.530e-005 -4.594 -4.597 -0.003 27.95 H2SiO4-2 2.965e-009 2.877e-009 -8.528 -8.541 -0.013 (0) ------------------------------Saturation indices------------------------------- Phase SI log IAP log K(298 K, 1 atm) Al(OH)3(a) -4.10 6.70 10.80 Al(OH)3 Chalcedony -0.44 -3.99 -3.55 SiO2 Gibbsite -1.35 6.70 8.05 Al(OH)3 H2(g) -35.29 -38.39 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O K-feldspar -1.30 -0.42 0.88 KAlSi3O8 K-mica 0.00 12.97 12.97 KAl3Si3O10(OH)2 Kaolinite -0.29 5.41 5.71 Al2Si2O5(OH)4 O2(g) -12.71 -15.60 -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. 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 1.175e-007 1.175e-007 K 6.671e-005 6.671e-005 Si 2.001e-004 2.001e-004 ----------------------------Description of solution---------------------------- pH = 9.303 Charge balance pe = -3.515 Adjusted to redox equilibrium Specific Conductance (uS/cm, 25 oC) = 8 Density (g/cm3) = 0.99706 Volume (L) = 1.00297 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) = -1.245e-015 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 16 Total H = 1.110124e+002 Total O = 5.550662e+001 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm3/mol OH- 2.052e-005 2.033e-005 -4.688 -4.692 -0.004 -4.13 H+ 5.026e-010 4.979e-010 -9.299 -9.303 -0.004 0.00 H2O 5.551e+001 1.000e+000 1.744 -0.000 0.000 18.07 Al 1.175e-007 Al(OH)4- 1.174e-007 1.163e-007 -6.930 -6.934 -0.004 (0) Al(OH)3 3.073e-011 3.073e-011 -10.512 -10.512 0.000 (0) Al(OH)2+ 1.049e-013 1.039e-013 -12.979 -12.984 -0.004 (0) AlOH+2 6.853e-018 6.599e-018 -17.164 -17.181 -0.016 -27.78 Al+3 3.599e-022 3.308e-022 -21.444 -21.480 -0.037 -44.49 H(0) 3.759e-015 H2 1.879e-015 1.879e-015 -14.726 -14.726 0.000 28.61 K 6.671e-005 K+ 6.671e-005 6.608e-005 -4.176 -4.180 -0.004 8.99 O(0) 0.000e+000 O2 0.000e+000 0.000e+000 -62.928 -62.928 0.000 30.40 Si 2.001e-004 H4SiO4 1.541e-004 1.541e-004 -3.812 -3.812 0.000 52.08 H3SiO4- 4.606e-005 4.562e-005 -4.337 -4.341 -0.004 27.95 H2SiO4-2 6.472e-009 6.232e-009 -8.189 -8.205 -0.016 (0) ------------------------------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) -11.62 -14.73 -3.10 H2 H2O(g) -1.50 -0.00 1.50 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) -60.04 -62.93 -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. 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 9.093e-006 9.093e-006 K-mica -0.00 12.97 12.97 0.000e+000 6.362e-005 6.362e-005 Kaolinite -0.72 4.99 5.71 0.000e+000 0 0.000e+000 -----------------------------Solution composition------------------------------ Elements Molality Moles Al 5.973e-008 5.973e-008 K 1.273e-004 1.273e-004 Si 3.819e-004 3.819e-004 ----------------------------Description of solution---------------------------- pH = 9.388 Charge balance pe = 8.438 Adjusted to redox equilibrium Specific Conductance (uS/cm, 25 oC) = 14 Density (g/cm3) = 0.99707 Volume (L) = 1.00298 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) = 3.871e-015 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 13 Total H = 1.110123e+002 Total O = 5.550698e+001 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm3/mol OH- 2.506e-005 2.474e-005 -4.601 -4.607 -0.006 -4.13 H+ 4.144e-010 4.092e-010 -9.383 -9.388 -0.006 0.00 H2O 5.551e+001 1.000e+000 1.744 -0.000 0.000 18.07 Al 5.973e-008 Al(OH)4- 5.972e-008 5.895e-008 -7.224 -7.230 -0.006 (0) Al(OH)3 1.280e-011 1.280e-011 -10.893 -10.893 0.000 (0) Al(OH)2+ 3.600e-014 3.554e-014 -13.444 -13.449 -0.006 (0) AlOH+2 1.954e-018 1.855e-018 -17.709 -17.732 -0.023 -27.77 Al+3 8.576e-023 7.641e-023 -22.067 -22.117 -0.050 -44.46 H(0) 3.150e-039 H2 1.575e-039 1.575e-039 -38.803 -38.803 0.000 28.61 K 1.273e-004 K+ 1.273e-004 1.256e-004 -3.895 -3.901 -0.006 8.99 O(0) 3.362e-015 O2 1.681e-015 1.681e-015 -14.774 -14.774 0.000 30.40 Si 3.819e-004 H4SiO4 2.797e-004 2.797e-004 -3.553 -3.553 0.000 52.08 H3SiO4- 1.021e-004 1.008e-004 -3.991 -3.996 -0.006 27.95 H2SiO4-2 1.765e-008 1.676e-008 -7.753 -7.776 -0.023 (0) ------------------------------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) -35.70 -38.80 -3.10 H2 H2O(g) -1.50 -0.00 1.50 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) -11.88 -14.77 -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 Simulation 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 " transfer" 40 PRINT " (umoles)" 50 FOR i = 2 TO 7 60 READ s$ 70 IF EXISTS(i) THEN PRINT s$, GET(i,1), (GET(1) - GET(i))*1e6, 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 ----- Simulation 6C.--kinetic calculation ------------------------------------------- Beginning of initial solution calculations. ------------------------------------------- Initial solution 1. ----------------------------------User print----------------------------------- Transition Time K-feldspar LA(K/H) LA(H4SiO4) transfer (umoles) -----------------------------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) = 0.99704 Volume (L) = 1.00297 Activity of water = 1.000 Ionic strength = 1.006e-007 Mass of water (kg) = 1.000e+000 Total alkalinity (eq/kg) = 1.217e-009 Total carbon (mol/kg) = 0.000e+000 Total CO2 (mol/kg) = 0.000e+000 Temperature (deg C) = 25.00 Electrical balance (eq) = -1.216e-009 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.60 Iterations = 2 Total H = 1.110124e+002 Total O = 5.550622e+001 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm3/mol OH- 1.013e-007 1.012e-007 -6.995 -6.995 -0.000 -4.14 H+ 1.000e-007 1.000e-007 -7.000 -7.000 -0.000 0.00 H2O 5.551e+001 1.000e+000 1.744 -0.000 0.000 18.07 Al 1.000e-013 Al(OH)4- 9.178e-014 9.175e-014 -13.037 -13.037 -0.000 (0) Al(OH)3 4.868e-015 4.868e-015 -14.313 -14.313 0.000 (0) Al(OH)2+ 3.305e-015 3.304e-015 -14.481 -14.481 -0.000 (0) AlOH+2 4.222e-017 4.215e-017 -16.375 -16.375 -0.001 -27.81 Al+3 4.258e-019 4.244e-019 -18.371 -18.372 -0.001 -44.55 H(0) 1.416e-025 H2 7.079e-026 7.079e-026 -25.150 -25.150 0.000 28.61 K 1.000e-013 K+ 1.000e-013 9.996e-014 -13.000 -13.000 -0.000 8.98 O(0) 0.000e+000 O2 0.000e+000 0.000e+000 -42.080 -42.080 0.000 30.40 Si 3.000e-013 H4SiO4 2.996e-013 2.996e-013 -12.524 -12.524 0.000 52.08 H3SiO4- 4.419e-016 4.417e-016 -15.355 -15.355 -0.000 27.94 H2SiO4-2 3.009e-022 3.005e-022 -21.522 -21.522 -0.001 (0) ------------------------------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) -22.05 -25.15 -3.10 H2 H2O(g) -1.50 -0.00 1.50 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 1. 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) transfer (umoles) -------------------------------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 = 11.411 Adjusted to redox equilibrium Specific Conductance (uS/cm, 25 oC) = 0 Density (g/cm3) = 0.99704 Volume (L) = 1.00297 Activity of water = 1.000 Ionic strength = 1.019e-007 Mass of water (kg) = 1.000e+000 Total alkalinity (eq/kg) = 6.279e-009 Total carbon (mol/kg) = 0.000e+000 Total CO2 (mol/kg) = 0.000e+000 Temperature (deg C) = 25.00 Electrical balance (eq) = -1.216e-009 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.60 Iterations = 42 Total H = 1.110124e+002 Total O = 5.550622e+001 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm3/mol OH- 1.013e-007 1.013e-007 -6.994 -6.994 -0.000 -4.14 H+ 9.997e-008 9.993e-008 -7.000 -7.000 -0.000 0.00 H2O 5.551e+001 1.000e+000 1.744 -0.000 0.000 18.07 Al 1.266e-009 Al(OH)4- 1.162e-009 1.161e-009 -8.935 -8.935 -0.000 (0) Al(OH)3 6.157e-011 6.157e-011 -10.211 -10.211 0.000 (0) Al(OH)2+ 4.178e-011 4.176e-011 -10.379 -10.379 -0.000 (0) AlOH+2 5.332e-013 5.324e-013 -12.273 -12.274 -0.001 -27.81 Al+3 5.375e-015 5.357e-015 -14.270 -14.271 -0.001 -44.55 H(0) 2.129e-040 H2 1.065e-040 1.065e-040 -39.973 -39.973 0.000 28.61 K 1.266e-009 K+ 1.266e-009 1.265e-009 -8.898 -8.898 -0.000 8.98 O(0) 7.354e-013 O2 3.677e-013 3.677e-013 -12.434 -12.434 0.000 30.40 Si 3.797e-009 H4SiO4 3.791e-009 3.791e-009 -8.421 -8.421 0.000 52.08 H3SiO4- 5.596e-012 5.594e-012 -11.252 -11.252 -0.000 27.94 H2SiO4-2 3.814e-018 3.808e-018 -17.419 -17.419 -0.001 (0) ------------------------------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) -36.87 -39.97 -3.10 H2 H2O(g) -1.50 -0.00 1.50 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) -9.54 -12.43 -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 1. 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) transfer (umoles) -------------------------------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 = 11.408 Adjusted to redox equilibrium Specific Conductance (uS/cm, 25 oC) = 0 Density (g/cm3) = 0.99704 Volume (L) = 1.00297 Activity of water = 1.000 Ionic strength = 1.143e-007 Mass of water (kg) = 1.000e+000 Total alkalinity (eq/kg) = 5.690e-008 Total carbon (mol/kg) = 0.000e+000 Total CO2 (mol/kg) = 0.000e+000 Temperature (deg C) = 25.00 Electrical balance (eq) = -1.216e-009 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.53 Iterations = 17 Total H = 1.110124e+002 Total O = 5.550622e+001 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm3/mol OH- 1.020e-007 1.020e-007 -6.991 -6.991 -0.000 -4.14 H+ 9.928e-008 9.924e-008 -7.003 -7.003 -0.000 0.00 H2O 5.551e+001 1.000e+000 1.744 -0.000 0.000 18.07 Al 1.392e-008 Al(OH)4- 1.279e-008 1.278e-008 -7.893 -7.893 -0.000 (0) Al(OH)3 6.731e-010 6.731e-010 -9.172 -9.172 0.000 (0) Al(OH)2+ 4.535e-010 4.534e-010 -9.343 -9.344 -0.000 (0) AlOH+2 5.750e-012 5.741e-012 -11.240 -11.241 -0.001 -27.81 Al+3 5.756e-014 5.735e-014 -13.240 -13.241 -0.002 -44.55 H(0) 2.133e-040 H2 1.067e-040 1.067e-040 -39.972 -39.972 0.000 28.61 K 1.392e-008 K+ 1.392e-008 1.392e-008 -7.856 -7.856 -0.000 8.98 O(0) 7.328e-013 O2 3.664e-013 3.664e-013 -12.436 -12.436 0.000 30.40 Si 4.176e-008 H4SiO4 4.170e-008 4.170e-008 -7.380 -7.380 0.000 52.08 H3SiO4- 6.198e-011 6.196e-011 -10.208 -10.208 -0.000 27.94 H2SiO4-2 4.254e-017 4.247e-017 -16.371 -16.372 -0.001 (0) ------------------------------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) -36.87 -39.97 -3.10 H2 H2O(g) -1.50 -0.00 1.50 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) -9.54 -12.44 -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 1. 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) transfer (umoles) A: Gibbsite 1100 1.4048e-001 3.5642e-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 9.946e-008 9.946e-008 K-mica -7.60 5.37 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 4.101e-008 4.101e-008 K 1.405e-007 1.405e-007 Si 4.214e-007 4.214e-007 ----------------------------Description of solution---------------------------- pH = 7.209 Charge balance pe = 11.202 Adjusted to redox equilibrium Specific Conductance (uS/cm, 25 oC) = 0 Density (g/cm3) = 0.99704 Volume (L) = 1.00297 Activity of water = 1.000 Ionic strength = 2.035e-007 Mass of water (kg) = 1.000e+000 Total alkalinity (eq/kg) = 2.647e-007 Total carbon (mol/kg) = 0.000e+000 Total CO2 (mol/kg) = 0.000e+000 Temperature (deg C) = 25.00 Electrical balance (eq) = -1.216e-009 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.30 Iterations = 17 Total H = 1.110124e+002 Total O = 5.550622e+001 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm3/mol OH- 1.639e-007 1.638e-007 -6.785 -6.786 -0.000 -4.14 H+ 6.183e-008 6.180e-008 -7.209 -7.209 -0.000 0.00 H2O 5.551e+001 1.000e+000 1.744 -0.000 0.000 18.07 Al 4.101e-008 Al(OH)4- 3.919e-008 3.916e-008 -7.407 -7.407 -0.000 (0) Al(OH)3 1.284e-009 1.284e-009 -8.891 -8.891 0.000 (0) Al(OH)2+ 5.388e-010 5.386e-010 -9.269 -9.269 -0.000 (0) AlOH+2 4.255e-012 4.246e-012 -11.371 -11.372 -0.001 -27.81 Al+3 2.654e-014 2.642e-014 -13.576 -13.578 -0.002 -44.55 H(0) 2.135e-040 H2 1.068e-040 1.068e-040 -39.972 -39.972 0.000 28.61 K 1.405e-007 K+ 1.405e-007 1.404e-007 -6.852 -6.853 -0.000 8.98 O(0) 7.316e-013 O2 3.658e-013 3.658e-013 -12.437 -12.437 0.000 30.40 Si 4.214e-007 H4SiO4 4.204e-007 4.204e-007 -6.376 -6.376 0.000 52.08 H3SiO4- 1.004e-009 1.003e-009 -8.998 -8.999 -0.000 27.94 H2SiO4-2 1.107e-015 1.104e-015 -14.956 -14.957 -0.001 (0) ------------------------------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) -36.87 -39.97 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O K-feldspar -11.60 -10.72 0.88 KAlSi3O8 K-mica -7.60 5.37 12.97 KAl3Si3O10(OH)2 Kaolinite -2.36 3.35 5.71 Al2Si2O5(OH)4 O2(g) -9.54 -12.44 -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 1. 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) transfer (umoles) A: Gibbsite 1100 1.4048e-001 3.5642e-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 9.946e-008 1.144e-006 1.045e-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 2.620e-007 2.620e-007 K 1.406e-006 1.406e-006 Si 4.218e-006 4.218e-006 ----------------------------Description of solution---------------------------- pH = 8.032 Charge balance pe = 10.378 Adjusted to redox equilibrium Specific Conductance (uS/cm, 25 oC) = 0 Density (g/cm3) = 0.99704 Volume (L) = 1.00297 Activity of water = 1.000 Ionic strength = 1.416e-006 Mass of water (kg) = 1.000e+000 Total alkalinity (eq/kg) = 2.193e-006 Total carbon (mol/kg) = 0.000e+000 Total CO2 (mol/kg) = 0.000e+000 Temperature (deg C) = 25.00 Electrical balance (eq) = -1.216e-009 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.04 Iterations = 76 Total H = 1.110124e+002 Total O = 5.550622e+001 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm3/mol OH- 1.090e-006 1.089e-006 -5.963 -5.963 -0.001 -4.14 H+ 9.311e-009 9.298e-009 -8.031 -8.032 -0.001 0.00 H2O 5.551e+001 1.000e+000 1.744 -0.000 0.000 18.07 Al 2.620e-007 Al(OH)4- 2.606e-007 2.603e-007 -6.584 -6.585 -0.001 (0) Al(OH)3 1.284e-009 1.284e-009 -8.891 -8.891 0.000 (0) Al(OH)2+ 8.115e-011 8.104e-011 -10.091 -10.091 -0.001 (0) AlOH+2 9.668e-014 9.614e-014 -13.015 -13.017 -0.002 -27.81 Al+3 9.113e-017 8.999e-017 -16.040 -16.046 -0.005 -44.54 H(0) 2.144e-040 H2 1.072e-040 1.072e-040 -39.970 -39.970 0.000 28.61 K 1.406e-006 K+ 1.406e-006 1.404e-006 -5.852 -5.853 -0.001 8.98 O(0) 7.256e-013 O2 3.628e-013 3.628e-013 -12.440 -12.440 0.000 30.40 Si 4.218e-006 H4SiO4 4.152e-006 4.152e-006 -5.382 -5.382 0.000 52.08 H3SiO4- 6.594e-008 6.584e-008 -7.181 -7.181 -0.001 27.94 H2SiO4-2 4.844e-013 4.817e-013 -12.315 -12.317 -0.002 (0) ------------------------------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) -36.87 -39.97 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O K-feldspar -6.79 -5.92 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) -9.55 -12.44 -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 1. 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) transfer (umoles) A: Gibbsite 1100 1.4048e-001 3.5642e-001 -6.3763e+000 B: Gibbsite -> Kaolinite 1.7434e+005 2.2064e+000 2.5575e+000 -5.1950e+000 C: Gibbsite -> Kaolinite 2.3929e+005 3.0284e+000 2.8317e+000 -5.1945e+000 -------------------------------Phase assemblage-------------------------------- Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta Gibbsite -0.59 7.45 8.05 1.144e-006 0 -1.144e-006 K-mica -0.28 12.69 12.97 0.000e+000 0 0.000e+000 Kaolinite -0.00 5.71 5.71 0.000e+000 6.730e-006 6.730e-006 -----------------------------Solution composition------------------------------ Elements Molality Moles Al 5.993e-007 5.993e-007 K 1.406e-005 1.406e-005 Si 2.872e-005 2.872e-005 ----------------------------Description of solution---------------------------- pH = 8.987 Charge balance pe = 9.416 Adjusted to redox equilibrium Specific Conductance (uS/cm, 25 oC) = 2 Density (g/cm3) = 0.99705 Volume (L) = 1.00297 Activity of water = 1.000 Ionic strength = 1.406e-005 Mass of water (kg) = 1.000e+000 Total alkalinity (eq/kg) = 1.586e-005 Total carbon (mol/kg) = 0.000e+000 Total CO2 (mol/kg) = 0.000e+000 Temperature (deg C) = 25.00 Electrical balance (eq) = -1.216e-009 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 823 Total H = 1.110124e+002 Total O = 5.550627e+001 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm3/mol OH- 9.856e-006 9.813e-006 -5.006 -5.008 -0.002 -4.13 H+ 1.036e-009 1.031e-009 -8.985 -8.987 -0.002 0.00 H2O 5.551e+001 1.000e+000 1.744 -0.000 0.000 18.07 Al 5.993e-007 Al(OH)4- 5.990e-007 5.964e-007 -6.223 -6.224 -0.002 (0) Al(OH)3 3.264e-010 3.264e-010 -9.486 -9.486 0.000 (0) Al(OH)2+ 2.295e-012 2.285e-012 -11.639 -11.641 -0.002 (0) AlOH+2 3.060e-016 3.007e-016 -15.514 -15.522 -0.008 -27.80 Al+3 3.247e-020 3.122e-020 -19.489 -19.506 -0.017 -44.52 H(0) 2.218e-040 H2 1.109e-040 1.109e-040 -39.955 -39.955 0.000 28.61 K 1.406e-005 K+ 1.406e-005 1.400e-005 -4.852 -4.854 -0.002 8.98 O(0) 6.780e-013 O2 3.390e-013 3.390e-013 -12.470 -12.470 0.000 30.40 Si 2.872e-005 H4SiO4 2.511e-005 2.511e-005 -4.600 -4.600 0.000 52.08 H3SiO4- 3.606e-006 3.590e-006 -5.443 -5.445 -0.002 27.95 H2SiO4-2 2.409e-010 2.368e-010 -9.618 -9.626 -0.008 (0) ------------------------------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) -36.85 -39.96 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O K-feldspar -3.09 -2.21 0.88 KAlSi3O8 K-mica -0.28 12.69 12.97 KAl3Si3O10(OH)2 Kaolinite -0.00 5.71 5.71 Al2Si2O5(OH)4 O2(g) -9.58 -12.47 -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 1. 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) transfer (umoles) A: Gibbsite 1100 1.4048e-001 3.5642e-001 -6.3763e+000 B: Gibbsite -> Kaolinite 1.7434e+005 2.2064e+000 2.5575e+000 -5.1950e+000 C: Gibbsite -> Kaolinite 2.3929e+005 3.0284e+000 2.8317e+000 -5.1945e+000 D: Kaolinite -> K-mica 1.5967e+006 2.0194e+001 4.4080e+000 -4.4630e+000 E: Kaolinite -> K-mica 2.6017e+006 3.2848e+001 4.4087e+000 -4.2499e+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 6.730e-006 0 -6.730e-006 -----------------------------Solution composition------------------------------ Elements Molality Moles Al 9.244e-008 9.244e-008 K 8.445e-005 8.445e-005 Si 2.534e-004 2.533e-004 ----------------------------Description of solution---------------------------- pH = 9.338 Charge balance pe = 9.073 Adjusted to redox equilibrium Specific Conductance (uS/cm, 25 oC) = 10 Density (g/cm3) = 0.99706 Volume (L) = 1.00298 Activity of water = 1.000 Ionic strength = 8.446e-005 Mass of water (kg) = 1.000e+000 Total alkalinity (eq/kg) = 8.473e-005 Total carbon (mol/kg) = 0.000e+000 Total CO2 (mol/kg) = 0.000e+000 Temperature (deg C) = 25.00 Electrical balance (eq) = -1.216e-009 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 7480 Total H = 1.110123e+002 Total O = 5.550672e+001 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm3/mol OH- 2.227e-005 2.204e-005 -4.652 -4.657 -0.005 -4.13 H+ 4.641e-010 4.593e-010 -9.333 -9.338 -0.005 0.00 H2O 5.551e+001 1.000e+000 1.744 -0.000 0.000 18.07 Al 9.244e-008 Al(OH)4- 9.242e-008 9.144e-008 -7.034 -7.039 -0.005 (0) Al(OH)3 2.228e-011 2.228e-011 -10.652 -10.652 0.000 (0) Al(OH)2+ 7.020e-014 6.946e-014 -13.154 -13.158 -0.005 (0) AlOH+2 4.247e-018 4.070e-018 -17.372 -17.390 -0.018 -27.78 Al+3 2.069e-022 1.882e-022 -21.684 -21.725 -0.041 -44.48 H(0) 2.131e-040 H2 1.066e-040 1.066e-040 -39.972 -39.972 0.000 28.61 K 8.445e-005 K+ 8.445e-005 8.355e-005 -4.073 -4.078 -0.005 8.99 O(0) 7.342e-013 O2 3.671e-013 3.671e-013 -12.435 -12.435 0.000 30.40 Si 2.534e-004 H4SiO4 1.913e-004 1.913e-004 -3.718 -3.718 0.000 52.08 H3SiO4- 6.207e-005 6.141e-005 -4.207 -4.212 -0.005 27.95 H2SiO4-2 9.490e-009 9.095e-009 -8.023 -8.041 -0.018 (0) ------------------------------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) -36.87 -39.97 -3.10 H2 H2O(g) -1.50 -0.00 1.50 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) -9.54 -12.44 -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 1. Time step: 1e+008 seconds (Incremented time: 1.11111e+008 seconds) Rate name Delta Moles Total Moles Reactant Coefficient K-feldspar -6.428e-005 1.940e+000 K-feldspar 1 ----------------------------------User print----------------------------------- Transition Time K-feldspar LA(K/H) LA(H4SiO4) transfer (umoles) A: Gibbsite 1100 1.4048e-001 3.5642e-001 -6.3763e+000 B: Gibbsite -> Kaolinite 1.7434e+005 2.2064e+000 2.5575e+000 -5.1950e+000 C: Gibbsite -> Kaolinite 2.3929e+005 3.0284e+000 2.8317e+000 -5.1945e+000 D: Kaolinite -> K-mica 1.5967e+006 2.0194e+001 4.4080e+000 -4.4630e+000 E: Kaolinite -> K-mica 2.6017e+006 3.2848e+001 4.4087e+000 -4.2499e+000 F: K-mica -> K-feldspar 4.7638e+007 1.9074e+002 5.4868e+000 -3.5536e+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 6.362e-005 2.144e-005 Kaolinite -0.72 4.99 5.71 0.000e+000 0 0.000e+000 -----------------------------Solution composition------------------------------ Elements Molality Moles Al 5.973e-008 5.973e-008 K 1.273e-004 1.273e-004 Si 3.819e-004 3.819e-004 ----------------------------Description of solution---------------------------- pH = 9.388 Charge balance pe = 9.034 Adjusted to redox equilibrium Specific Conductance (uS/cm, 25 oC) = 14 Density (g/cm3) = 0.99707 Volume (L) = 1.00298 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) = -1.216e-009 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 4540 Total H = 1.110123e+002 Total O = 5.550698e+001 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm3/mol OH- 2.506e-005 2.474e-005 -4.601 -4.607 -0.006 -4.13 H+ 4.144e-010 4.091e-010 -9.383 -9.388 -0.006 0.00 H2O 5.551e+001 1.000e+000 1.744 -0.000 0.000 18.07 Al 5.973e-008 Al(OH)4- 5.972e-008 5.895e-008 -7.224 -7.230 -0.006 (0) Al(OH)3 1.280e-011 1.280e-011 -10.893 -10.893 0.000 (0) Al(OH)2+ 3.600e-014 3.553e-014 -13.444 -13.449 -0.006 (0) AlOH+2 1.954e-018 1.855e-018 -17.709 -17.732 -0.023 -27.77 Al+3 8.576e-023 7.641e-023 -22.067 -22.117 -0.050 -44.46 H(0) 2.027e-040 H2 1.014e-040 1.014e-040 -39.994 -39.994 0.000 28.61 K 1.273e-004 K+ 1.273e-004 1.256e-004 -3.895 -3.901 -0.006 8.99 O(0) 8.115e-013 O2 4.057e-013 4.058e-013 -12.392 -12.392 0.000 30.40 Si 3.819e-004 H4SiO4 2.797e-004 2.797e-004 -3.553 -3.553 0.000 52.08 H3SiO4- 1.021e-004 1.008e-004 -3.991 -3.996 -0.006 27.95 H2SiO4-2 1.765e-008 1.676e-008 -7.753 -7.776 -0.023 (0) ------------------------------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) -36.89 -39.99 -3.10 H2 H2O(g) -1.50 -0.00 1.50 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) -9.50 -12.39 -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 1.039e-003 1.039e-003 Equilibrium with K_H Si 6.661e-006 6.661e-006 Equilibrium with K-mica ----------------------------Description of solution---------------------------- pH = 11.000 pe = 4.000 Specific Conductance (uS/cm, 25 oC) = 278 Density (g/cm3) = 0.99712 Volume (L) = 1.00297 Activity of water = 1.000 Ionic strength = 1.175e-003 Mass of water (kg) = 1.000e+000 Total alkalinity (eq/kg) = 2.064e-003 Total carbon (mol/kg) = 0.000e+000 Total CO2 (mol/kg) = 0.000e+000 Temperature (deg C) = 25.00 Electrical balance (eq) = -2.704e-004 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -11.51 Iterations = 5 Total H = 1.110145e+002 Total O = 5.550830e+001 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm3/mol OH- 1.052e-003 1.012e-003 -2.978 -2.995 -0.017 -4.10 H+ 1.037e-011 1.000e-011 -10.984 -11.000 -0.016 0.00 H2O 5.551e+001 1.000e+000 1.744 -0.000 0.000 18.07 Al 2.515e-004 Al(OH)4- 2.515e-004 2.420e-004 -3.600 -3.616 -0.017 (0) Al(OH)3 1.284e-009 1.284e-009 -8.892 -8.891 0.000 (0) Al(OH)2+ 9.053e-014 8.715e-014 -13.043 -13.060 -0.016 (0) AlOH+2 1.294e-019 1.112e-019 -18.888 -18.954 -0.066 -27.69 Al+3 1.556e-025 1.120e-025 -24.808 -24.951 -0.143 -44.29 H(0) 1.416e-033 H2 7.078e-034 7.079e-034 -33.150 -33.150 0.000 28.61 K 1.039e-003 K+ 1.039e-003 1.000e-003 -2.983 -3.000 -0.017 9.01 O(0) 1.663e-026 O2 8.315e-027 8.317e-027 -26.080 -26.080 0.000 30.40 Si 6.661e-006 H3SiO4- 6.208e-006 5.974e-006 -5.207 -5.224 -0.017 27.98 H4SiO4 4.050e-007 4.051e-007 -6.393 -6.392 0.000 52.08 H2SiO4-2 4.730e-008 4.064e-008 -7.325 -7.391 -0.066 (0) ------------------------------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) -30.05 -33.15 -3.10 H2 H2O(g) -1.50 -0.00 1.50 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) = 0.99712 Volume (L) = 1.00299 Activity of water = 1.000 Ionic strength = 1.333e-003 Mass of water (kg) = 1.000e+000 Total alkalinity (eq/kg) = 1.178e-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 mole V Species Molality Activity Molality Activity Gamma cm3/mol OH- 1.055e-007 1.012e-007 -6.977 -6.995 -0.018 -4.10 H+ 1.039e-007 1.000e-007 -6.983 -7.000 -0.017 0.00 H2O 5.551e+001 1.000e+000 1.744 -0.000 0.000 18.07 Al 2.741e-008 Al(OH)4- 2.521e-008 2.420e-008 -7.598 -7.616 -0.018 (0) Al(OH)3 1.284e-009 1.284e-009 -8.892 -8.891 0.000 (0) Al(OH)2+ 9.074e-010 8.716e-010 -9.042 -9.060 -0.017 (0) AlOH+2 1.306e-011 1.112e-011 -10.884 -10.954 -0.070 -27.68 Al+3 1.586e-013 1.120e-013 -12.800 -12.951 -0.151 -44.27 H(0) 1.415e-025 H2 7.077e-026 7.079e-026 -25.150 -25.150 0.000 28.61 K 2.666e-003 K+ 2.666e-003 2.558e-003 -2.574 -2.592 -0.018 9.01 O(0) 0.000e+000 O2 0.000e+000 0.000e+000 -42.080 -42.080 0.000 30.40 Si 6.390e-006 H4SiO4 6.380e-006 6.382e-006 -5.195 -5.195 0.000 52.08 H3SiO4- 9.803e-009 9.410e-009 -8.009 -8.026 -0.018 27.98 H2SiO4-2 7.520e-015 6.401e-015 -14.124 -14.194 -0.070 (0) ------------------------------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) -22.05 -25.15 -3.10 H2 H2O(g) -1.50 -0.00 1.50 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 2.731e-010 2.731e-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) = 0.99715 Volume (L) = 1.00304 Activity of water = 1.000 Ionic strength = 1.333e-003 Mass of water (kg) = 1.000e+000 Total alkalinity (eq/kg) = 9.863e-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 mole V Species Molality Activity Molality Activity Gamma cm3/mol OH- 1.055e-007 1.012e-007 -6.977 -6.995 -0.018 -4.10 H+ 1.039e-007 1.000e-007 -6.983 -7.000 -0.017 0.00 H2O 5.551e+001 9.999e-001 1.744 -0.000 0.000 18.07 Al 2.731e-010 Al(OH)4- 2.512e-010 2.412e-010 -9.600 -9.618 -0.018 (0) Al(OH)3 1.279e-011 1.280e-011 -10.893 -10.893 0.000 (0) Al(OH)2+ 9.042e-012 8.685e-012 -11.044 -11.061 -0.017 (0) AlOH+2 1.302e-013 1.108e-013 -12.885 -12.955 -0.070 -27.68 Al+3 1.581e-015 1.116e-015 -14.801 -14.952 -0.151 -44.27 H(0) 1.415e-025 H2 7.077e-026 7.079e-026 -25.150 -25.150 0.000 28.61 K 2.666e-003 K+ 2.666e-003 2.558e-003 -2.574 -2.592 -0.018 9.01 O(0) 0.000e+000 O2 0.000e+000 0.000e+000 -42.080 -42.080 0.000 30.40 Si 6.412e-004 H4SiO4 6.402e-004 6.404e-004 -3.194 -3.194 0.000 52.08 H3SiO4- 9.837e-007 9.443e-007 -6.007 -6.025 -0.018 27.98 H2SiO4-2 7.546e-013 6.423e-013 -12.122 -12.192 -0.070 (0) ------------------------------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) -22.05 -25.15 -3.10 H2 H2O(g) -1.50 -0.00 1.50 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) = 1.01094 Volume (L) = 1.02979 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 mole V Species Molality Activity Molality Activity Gamma cm3/mol OH- 1.025e-007 1.007e-007 -6.989 -6.997 -0.008 -4.12 H+ 1.018e-007 1.000e-007 -6.992 -7.000 -0.008 0.00 H2O 5.551e+001 9.946e-001 1.744 -0.002 0.000 18.07 Al 5.251e-013 Al(OH)4- 4.821e-013 4.736e-013 -12.317 -12.325 -0.008 (0) Al(OH)3 2.526e-014 2.526e-014 -13.598 -13.597 0.000 (0) Al(OH)2+ 1.755e-014 1.724e-014 -13.756 -13.763 -0.008 (0) AlOH+2 2.374e-016 2.212e-016 -15.624 -15.655 -0.031 -27.75 Al+3 2.619e-018 2.239e-018 -17.582 -17.650 -0.068 -44.43 H(0) 1.416e-025 H2 7.079e-026 7.079e-026 -25.150 -25.150 0.000 28.61 K 1.018e-008 K+ 1.018e-008 1.000e-008 -7.992 -8.000 -0.008 8.99 O(0) 0.000e+000 O2 0.000e+000 0.000e+000 -42.085 -42.085 0.000 30.40 Si 3.205e-001 H4SiO4 3.200e-001 3.200e-001 -0.495 -0.495 0.000 52.08 H3SiO4- 4.803e-004 4.719e-004 -3.318 -3.326 -0.008 27.96 H2SiO4-2 3.445e-010 3.210e-010 -9.463 -9.494 -0.031 (0) ------------------------------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) -22.05 -25.15 -3.10 H2 H2O(g) -1.51 -0.00 1.50 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 6.703e-004 6.703e-004 Equilibrium with K-mica ----------------------------Description of solution---------------------------- pH = 11.000 pe = 4.000 Specific Conductance (uS/cm, 25 oC) = 278 Density (g/cm3) = 0.99714 Volume (L) = 1.00301 Activity of water = 1.000 Ionic strength = 1.372e-003 Mass of water (kg) = 1.000e+000 Total alkalinity (eq/kg) = 1.700e-003 Total carbon (mol/kg) = 0.000e+000 Total CO2 (mol/kg) = 0.000e+000 Temperature (deg C) = 25.00 Electrical balance (eq) = -6.497e-004 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -23.76 Iterations = 5 Total H = 1.110155e+002 Total O = 5.550996e+001 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm3/mol OH- 1.055e-003 1.012e-003 -2.977 -2.995 -0.018 -4.10 H+ 1.040e-011 1.000e-011 -10.983 -11.000 -0.017 0.00 H2O 5.551e+001 1.000e+000 1.744 -0.000 0.000 18.07 Al 2.513e-006 Al(OH)4- 2.513e-006 2.412e-006 -5.600 -5.618 -0.018 (0) Al(OH)3 1.279e-011 1.280e-011 -10.893 -10.893 0.000 (0) Al(OH)2+ 9.047e-016 8.685e-016 -15.043 -15.061 -0.018 (0) AlOH+2 1.305e-021 1.108e-021 -20.884 -20.955 -0.071 -27.68 Al+3 1.588e-027 1.116e-027 -26.799 -26.952 -0.153 -44.27 H(0) 1.415e-033 H2 7.077e-034 7.079e-034 -33.150 -33.150 0.000 28.61 K 1.043e-003 K+ 1.043e-003 1.000e-003 -2.982 -3.000 -0.018 9.01 O(0) 1.663e-026 O2 8.314e-027 8.317e-027 -26.080 -26.080 0.000 30.40 Si 6.703e-004 H3SiO4- 6.249e-004 5.995e-004 -3.204 -3.222 -0.018 27.98 H4SiO4 4.064e-005 4.066e-005 -4.391 -4.391 0.000 52.08 H2SiO4-2 4.801e-006 4.078e-006 -5.319 -5.390 -0.071 (0) ------------------------------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) -30.05 -33.15 -3.10 H2 H2O(g) -1.50 -0.00 1.50 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 2.731e-010 2.731e-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) = 0.99715 Volume (L) = 1.00304 Activity of water = 1.000 Ionic strength = 1.333e-003 Mass of water (kg) = 1.000e+000 Total alkalinity (eq/kg) = 9.863e-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 mole V Species Molality Activity Molality Activity Gamma cm3/mol OH- 1.055e-007 1.012e-007 -6.977 -6.995 -0.018 -4.10 H+ 1.039e-007 1.000e-007 -6.983 -7.000 -0.017 0.00 H2O 5.551e+001 9.999e-001 1.744 -0.000 0.000 18.07 Al 2.731e-010 Al(OH)4- 2.512e-010 2.412e-010 -9.600 -9.618 -0.018 (0) Al(OH)3 1.279e-011 1.280e-011 -10.893 -10.893 0.000 (0) Al(OH)2+ 9.042e-012 8.685e-012 -11.044 -11.061 -0.017 (0) AlOH+2 1.302e-013 1.108e-013 -12.885 -12.955 -0.070 -27.68 Al+3 1.581e-015 1.116e-015 -14.801 -14.952 -0.151 -44.27 H(0) 1.415e-025 H2 7.077e-026 7.079e-026 -25.150 -25.150 0.000 28.61 K 2.666e-003 K+ 2.666e-003 2.558e-003 -2.574 -2.592 -0.018 9.01 O(0) 0.000e+000 O2 0.000e+000 0.000e+000 -42.080 -42.080 0.000 30.40 Si 6.412e-004 H4SiO4 6.402e-004 6.404e-004 -3.194 -3.194 0.000 52.08 H3SiO4- 9.837e-007 9.443e-007 -6.007 -6.025 -0.018 27.98 H2SiO4-2 7.546e-013 6.423e-013 -12.122 -12.192 -0.070 (0) ------------------------------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) -22.05 -25.15 -3.10 H2 H2O(g) -1.50 -0.00 1.50 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) = 0.99712 Volume (L) = 1.00299 Activity of water = 1.000 Ionic strength = 1.333e-003 Mass of water (kg) = 1.000e+000 Total alkalinity (eq/kg) = 1.178e-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 mole V Species Molality Activity Molality Activity Gamma cm3/mol OH- 1.055e-007 1.012e-007 -6.977 -6.995 -0.018 -4.10 H+ 1.039e-007 1.000e-007 -6.983 -7.000 -0.017 0.00 H2O 5.551e+001 1.000e+000 1.744 -0.000 0.000 18.07 Al 2.741e-008 Al(OH)4- 2.521e-008 2.420e-008 -7.598 -7.616 -0.018 (0) Al(OH)3 1.284e-009 1.284e-009 -8.892 -8.891 0.000 (0) Al(OH)2+ 9.074e-010 8.716e-010 -9.042 -9.060 -0.017 (0) AlOH+2 1.306e-011 1.112e-011 -10.884 -10.954 -0.070 -27.68 Al+3 1.586e-013 1.120e-013 -12.800 -12.951 -0.151 -44.27 H(0) 1.415e-025 H2 7.077e-026 7.079e-026 -25.150 -25.150 0.000 28.61 K 2.666e-003 K+ 2.666e-003 2.558e-003 -2.574 -2.592 -0.018 9.01 O(0) 0.000e+000 O2 0.000e+000 0.000e+000 -42.080 -42.080 0.000 30.40 Si 6.390e-006 H4SiO4 6.380e-006 6.382e-006 -5.195 -5.195 0.000 52.08 H3SiO4- 9.803e-009 9.410e-009 -8.009 -8.026 -0.018 27.98 H2SiO4-2 7.520e-015 6.401e-015 -14.124 -14.194 -0.070 (0) ------------------------------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) -22.05 -25.15 -3.10 H2 H2O(g) -1.50 -0.00 1.50 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) = 0.99704 Volume (L) = 1.00297 Activity of water = 1.000 Ionic strength = 1.229e-007 Mass of water (kg) = 1.000e+000 Total alkalinity (eq/kg) = 1.131e-007 Total carbon (mol/kg) = 0.000e+000 Total CO2 (mol/kg) = 0.000e+000 Temperature (deg C) = 25.00 Electrical balance (eq) = -2.394e-008 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -9.74 Iterations = 6 Total H = 1.110125e+002 Total O = 5.550624e+001 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm3/mol OH- 1.013e-007 1.012e-007 -6.995 -6.995 -0.000 -4.14 H+ 1.000e-007 1.000e-007 -7.000 -7.000 -0.000 0.00 H2O 5.551e+001 1.000e+000 1.744 -0.000 0.000 18.07 Al 2.638e-008 Al(OH)4- 2.421e-008 2.420e-008 -7.616 -7.616 -0.000 (0) Al(OH)3 1.284e-009 1.284e-009 -8.891 -8.891 0.000 (0) Al(OH)2+ 8.719e-010 8.715e-010 -9.060 -9.060 -0.000 (0) AlOH+2 1.114e-011 1.112e-011 -10.953 -10.954 -0.001 -27.81 Al+3 1.124e-013 1.119e-013 -12.949 -12.951 -0.002 -44.55 H(0) 1.416e-025 H2 7.079e-026 7.079e-026 -25.150 -25.150 0.000 28.61 K 1.000e-008 K+ 1.000e-008 1.000e-008 -8.000 -8.000 -0.000 8.98 O(0) 0.000e+000 O2 0.000e+000 0.000e+000 -42.080 -42.080 0.000 30.40 Si 6.392e-006 H4SiO4 6.383e-006 6.383e-006 -5.195 -5.195 0.000 52.08 H3SiO4- 9.415e-009 9.411e-009 -8.026 -8.026 -0.000 27.94 H2SiO4-2 6.412e-015 6.402e-015 -14.193 -14.194 -0.001 (0) ------------------------------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) -22.05 -25.15 -3.10 H2 H2O(g) -1.50 -0.00 1.50 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 after 1.759 Seconds. -------------------------------