Input file: H:\ntc\03\Tuesday\rain_uz.pqi Output file: H:\ntc\03\Tuesday\rain_uz.pqo Database file: C:\Program Files\USGS\Phreeqc Interactive 2.6\wateq4f.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. ------------------------------------ DATABASE C:\Program Files\USGS\Phreeqc Interactive 2.6\wateq4f.dat SOLUTION_SPREAD Description Temp pH O(0) Ca Mg Na K Cl S(6) C(4) N(5) N(-3) O2(g) -0.7 CO2(g) -3.5 Rainwater 25 4.5 1 0.384 0.043 0.141 0.036 0.236 1.3 1 0.237 0.208 END ------------------------------------------- Beginning of initial solution calculations. ------------------------------------------- Initial solution 1. Rainwater -----------------------------Solution composition------------------------------ Elements Molality Moles C(4) 1.092e-005 1.092e-005 Equilibrium with CO2(g) Ca 3.840e-004 3.840e-004 Cl 2.360e-004 2.360e-004 K 3.600e-005 3.600e-005 Mg 4.300e-005 4.300e-005 N(-3) 2.080e-004 2.080e-004 N(5) 2.370e-004 2.370e-004 Na 1.410e-004 1.410e-004 O(0) 4.372e-004 4.372e-004 Equilibrium with O2(g) S(6) 1.300e-003 1.300e-003 ----------------------------Description of solution---------------------------- pH = 4.500 pe = 4.000 Activity of water = 1.000 Ionic strength = 3.666e-003 Mass of water (kg) = 1.000e+000 Total alkalinity (eq/kg) = -3.657e-005 Total CO2 (mol/kg) = 1.092e-005 Temperature (deg C) = 25.000 Electrical balance (eq) = -1.797e-003 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -43.70 Iterations = 8 Total H = 1.110133e+002 Total O = 5.551259e+001 ---------------------------------Redox couples--------------------------------- Redox couple pe Eh (volts) N(-3)/N(5) 9.2674 0.5482 O(-2)/O(0) 16.1050 0.9527 ----------------------------Distribution of species---------------------------- Log Log Log Species Molality Activity Molality Activity Gamma H+ 3.359e-005 3.162e-005 -4.474 -4.500 -0.026 OH- 3.380e-010 3.166e-010 -9.471 -9.500 -0.029 H2O 5.551e+001 1.000e+000 1.744 -0.000 0.000 C(4) 1.092e-005 CO2 1.076e-005 1.077e-005 -4.968 -4.968 0.000 HCO3- 1.614e-007 1.514e-007 -6.792 -6.820 -0.028 CaHCO3+ 5.338e-010 4.999e-010 -9.273 -9.301 -0.029 MgHCO3+ 5.375e-011 5.034e-011 -10.270 -10.298 -0.029 NaHCO3 1.119e-011 1.120e-011 -10.951 -10.951 0.000 CO3-2 2.902e-013 2.246e-013 -12.537 -12.649 -0.111 CaCO3 9.729e-014 9.738e-014 -13.012 -13.012 0.000 MgCO3 6.083e-015 6.088e-015 -14.216 -14.216 0.000 NaCO3- 5.871e-016 5.498e-016 -15.231 -15.260 -0.029 Ca 3.840e-004 Ca+2 3.347e-004 2.588e-004 -3.475 -3.587 -0.112 CaSO4 4.931e-005 4.935e-005 -4.307 -4.307 0.000 CaHSO4+ 9.764e-009 9.143e-009 -8.010 -8.039 -0.029 CaHCO3+ 5.338e-010 4.999e-010 -9.273 -9.301 -0.029 CaOH+ 1.451e-012 1.358e-012 -11.838 -11.867 -0.029 CaCO3 9.729e-014 9.738e-014 -13.012 -13.012 0.000 Cl 2.360e-004 Cl- 2.360e-004 2.209e-004 -3.627 -3.656 -0.029 H(0) 1.415e-020 H2 7.073e-021 7.079e-021 -20.150 -20.150 0.000 K 3.600e-005 K+ 3.576e-005 3.347e-005 -4.447 -4.475 -0.029 KSO4- 2.400e-007 2.247e-007 -6.620 -6.648 -0.029 Mg 4.300e-005 Mg+2 3.664e-005 2.841e-005 -4.436 -4.546 -0.110 MgSO4 6.360e-006 6.365e-006 -5.197 -5.196 0.000 MgHCO3+ 5.375e-011 5.034e-011 -10.270 -10.298 -0.029 MgOH+ 3.483e-012 3.262e-012 -11.458 -11.487 -0.029 MgCO3 6.083e-015 6.088e-015 -14.216 -14.216 0.000 N(-3) 2.080e-004 NH4+ 2.055e-004 1.924e-004 -3.687 -3.716 -0.029 NH4SO4- 2.529e-006 2.369e-006 -5.597 -5.625 -0.029 NH3 3.465e-009 3.467e-009 -8.460 -8.460 0.000 N(5) 2.370e-004 NO3- 2.370e-004 2.219e-004 -3.625 -3.654 -0.029 Na 1.410e-004 Na+ 1.403e-004 1.315e-004 -3.853 -3.881 -0.028 NaSO4- 6.725e-007 6.297e-007 -6.172 -6.201 -0.029 NaHCO3 1.119e-011 1.120e-011 -10.951 -10.951 0.000 NaCO3- 5.871e-016 5.498e-016 -15.231 -15.260 -0.029 O(0) 4.372e-004 O2 2.186e-004 2.188e-004 -3.660 -3.660 0.000 S(6) 1.300e-003 SO4-2 1.238e-003 9.556e-004 -2.907 -3.020 -0.112 CaSO4 4.931e-005 4.935e-005 -4.307 -4.307 0.000 MgSO4 6.360e-006 6.365e-006 -5.197 -5.196 0.000 HSO4- 3.137e-006 2.938e-006 -5.503 -5.532 -0.029 NH4SO4- 2.529e-006 2.369e-006 -5.597 -5.625 -0.029 NaSO4- 6.725e-007 6.297e-007 -6.172 -6.201 -0.029 KSO4- 2.400e-007 2.247e-007 -6.620 -6.648 -0.029 CaHSO4+ 9.764e-009 9.143e-009 -8.010 -8.039 -0.029 ------------------------------Saturation indices------------------------------- Phase SI log IAP log KT Anhydrite -2.25 -6.61 -4.36 CaSO4 Aragonite -7.90 -16.24 -8.34 CaCO3 Artinite -22.34 -12.74 9.60 MgCO3:Mg(OH)2:3H2O Brucite -12.39 4.45 16.84 Mg(OH)2 Calcite -7.76 -16.24 -8.48 CaCO3 CO2(g) -3.50 -21.65 -18.15 CO2 Dolomite -16.34 -33.43 -17.09 CaMg(CO3)2 Dolomite(d) -16.89 -33.43 -16.54 CaMg(CO3)2 Epsomite -5.43 -7.57 -2.14 MgSO4:7H2O Gypsum -2.03 -6.61 -4.58 CaSO4:2H2O H2(g) -17.00 -17.00 0.00 H2 H2O(g) -1.51 -0.00 1.51 H2O Halite -9.12 -7.54 1.58 NaCl Huntite -37.85 -67.82 -29.97 CaMg3(CO3)4 Hydromagnesite -55.57 -64.33 -8.76 Mg5(CO3)4(OH)2:4H2O Magnesite -9.17 -17.20 -8.03 MgCO3 Mirabilite -9.67 -10.78 -1.11 Na2SO4:10H2O Nahcolite -10.15 -21.03 -10.88 NaHCO3 Natron -19.10 -20.41 -1.31 Na2CO3:10H2O Nesquehonite -11.57 -17.20 -5.62 MgCO3:3H2O NH3(g) -10.23 0.78 11.01 NH3 O2(g) -0.70 -3.66 -2.96 O2 Portlandite -17.39 5.41 22.80 Ca(OH)2 Thenardite -10.60 -10.78 -0.18 Na2SO4 Thermonatrite -20.54 -20.41 0.13 Na2CO3:H2O Trona -30.32 -41.44 -11.12 NaHCO3:Na2CO3:2H2O ------------------ End of simulation. ------------------ ------------------------------------ Reading input data for simulation 2. ------------------------------------ MIX 1 1 1 SAVE solution 2 END ----------------------------------------- Beginning of batch-reaction calculations. ----------------------------------------- Reaction step 1. Using mix 1. Mixture 1. 1.000e+000 Solution 1 Rainwater -----------------------------Solution composition------------------------------ Elements Molality Moles C 1.092e-005 1.092e-005 Ca 3.840e-004 3.840e-004 Cl 2.360e-004 2.360e-004 K 3.600e-005 3.600e-005 Mg 4.300e-005 4.300e-005 N 4.450e-004 4.450e-004 Na 1.410e-004 1.410e-004 S 1.300e-003 1.300e-003 ----------------------------Description of solution---------------------------- pH = 3.595 Charge balance pe = 16.090 Adjusted to redox equilibrium Activity of water = 1.000 Ionic strength = 3.680e-003 Mass of water (kg) = 1.000e+000 Total alkalinity (eq/kg) = -2.946e-004 Total CO2 (mol/kg) = 1.092e-005 Temperature (deg C) = 25.000 Electrical balance (eq) = -1.797e-003 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -43.03 Iterations = 22 Total H = 1.110133e+002 Total O = 5.551259e+001 ----------------------------Distribution of species---------------------------- Log Log Log Species Molality Activity Molality Activity Gamma H+ 2.697e-004 2.539e-004 -3.569 -3.595 -0.026 OH- 4.210e-011 3.942e-011 -10.376 -10.404 -0.029 H2O 5.551e+001 1.000e+000 1.744 -0.000 0.000 C(-4) 0.000e+000 CH4 0.000e+000 0.000e+000 -138.053 -138.052 0.000 C(4) 1.092e-005 CO2 1.090e-005 1.091e-005 -4.963 -4.962 0.000 HCO3- 2.037e-008 1.910e-008 -7.691 -7.719 -0.028 CaHCO3+ 6.745e-011 6.316e-011 -10.171 -10.200 -0.029 MgHCO3+ 6.796e-012 6.363e-012 -11.168 -11.196 -0.029 NaHCO3 1.411e-012 1.412e-012 -11.850 -11.850 0.000 CO3-2 4.562e-015 3.528e-015 -14.341 -14.452 -0.112 CaCO3 1.531e-015 1.532e-015 -14.815 -14.815 0.000 MgCO3 9.575e-017 9.583e-017 -16.019 -16.018 0.000 NaCO3- 9.224e-018 8.637e-018 -17.035 -17.064 -0.029 Ca 3.840e-004 Ca+2 3.353e-004 2.592e-004 -3.475 -3.586 -0.112 CaSO4 4.862e-005 4.867e-005 -4.313 -4.313 0.000 CaHSO4+ 7.732e-008 7.240e-008 -7.112 -7.140 -0.029 CaHCO3+ 6.745e-011 6.316e-011 -10.171 -10.200 -0.029 CaOH+ 1.809e-013 1.694e-013 -12.743 -12.771 -0.029 CaCO3 1.531e-015 1.532e-015 -14.815 -14.815 0.000 Cl 2.360e-004 Cl- 2.360e-004 2.208e-004 -3.627 -3.656 -0.029 H(0) 0.000e+000 H2 0.000e+000 0.000e+000 -42.520 -42.520 0.000 K 3.600e-005 K+ 3.576e-005 3.347e-005 -4.447 -4.475 -0.029 KSO4- 2.363e-007 2.213e-007 -6.627 -6.655 -0.029 Mg 4.300e-005 Mg+2 3.673e-005 2.847e-005 -4.435 -4.546 -0.111 MgSO4 6.274e-006 6.279e-006 -5.202 -5.202 0.000 MgHCO3+ 6.796e-012 6.363e-012 -11.168 -11.196 -0.029 MgOH+ 4.346e-013 4.070e-013 -12.362 -12.390 -0.029 MgCO3 9.575e-017 9.583e-017 -16.019 -16.018 0.000 N(-3) 0.000e+000 NH4+ 0.000e+000 0.000e+000 -49.136 -49.164 -0.029 NH4SO4- 0.000e+000 0.000e+000 -51.052 -51.081 -0.029 NH3 0.000e+000 0.000e+000 -54.814 -54.813 0.000 N(0) 1.580e-004 N2 7.898e-005 7.905e-005 -4.102 -4.102 0.000 N(3) 4.548e-015 NO2- 4.548e-015 4.259e-015 -14.342 -14.371 -0.029 N(5) 2.870e-004 NO3- 2.870e-004 2.688e-004 -3.542 -3.571 -0.029 Na 1.410e-004 Na+ 1.403e-004 1.315e-004 -3.853 -3.881 -0.028 NaSO4- 6.622e-007 6.200e-007 -6.179 -6.208 -0.029 NaHCO3 1.411e-012 1.412e-012 -11.850 -11.850 0.000 NaCO3- 9.224e-018 8.637e-018 -17.035 -17.064 -0.029 O(0) 9.137e-008 O2 4.568e-008 4.572e-008 -7.340 -7.340 0.000 S(-2) 0.000e+000 H2S 0.000e+000 0.000e+000 -127.054 -127.053 0.000 HS- 0.000e+000 0.000e+000 -130.371 -130.400 -0.029 S5-2 0.000e+000 0.000e+000 -136.300 -136.399 -0.100 S4-2 0.000e+000 0.000e+000 -136.530 -136.633 -0.103 S6-2 0.000e+000 0.000e+000 -136.589 -136.685 -0.097 S-2 0.000e+000 0.000e+000 -139.608 -139.722 -0.114 S3-2 0.000e+000 0.000e+000 -139.980 -140.086 -0.107 S2-2 0.000e+000 0.000e+000 -141.223 -141.332 -0.109 S(6) 1.300e-003 SO4-2 1.219e-003 9.410e-004 -2.914 -3.026 -0.113 CaSO4 4.862e-005 4.867e-005 -4.313 -4.313 0.000 HSO4- 2.481e-005 2.323e-005 -4.605 -4.634 -0.029 MgSO4 6.274e-006 6.279e-006 -5.202 -5.202 0.000 NaSO4- 6.622e-007 6.200e-007 -6.179 -6.208 -0.029 KSO4- 2.363e-007 2.213e-007 -6.627 -6.655 -0.029 CaHSO4+ 7.732e-008 7.240e-008 -7.112 -7.140 -0.029 NH4SO4- 0.000e+000 0.000e+000 -51.052 -51.081 -0.029 ------------------------------Saturation indices------------------------------- Phase SI log IAP log KT Anhydrite -2.25 -6.61 -4.36 CaSO4 Aragonite -9.70 -18.04 -8.34 CaCO3 Artinite -25.95 -16.35 9.60 MgCO3:Mg(OH)2:3H2O Brucite -14.20 2.64 16.84 Mg(OH)2 Calcite -9.56 -18.04 -8.48 CaCO3 CH4(g) -135.19 -179.12 -43.93 CH4 CO2(g) -3.49 -21.64 -18.15 CO2 Dolomite -19.95 -37.04 -17.09 CaMg(CO3)2 Dolomite(d) -20.50 -37.04 -16.54 CaMg(CO3)2 Epsomite -5.43 -7.57 -2.14 MgSO4:7H2O Gypsum -2.03 -6.61 -4.58 CaSO4:2H2O H2(g) -39.37 -39.37 0.00 H2 H2O(g) -1.51 -0.00 1.51 H2O H2S(g) -126.06 -167.70 -41.64 H2S Halite -9.12 -7.54 1.58 NaCl Huntite -45.07 -75.03 -29.97 CaMg3(CO3)4 Hydromagnesite -64.59 -73.35 -8.76 Mg5(CO3)4(OH)2:4H2O Magnesite -10.97 -19.00 -8.03 MgCO3 Mirabilite -9.67 -10.79 -1.11 Na2SO4:10H2O N2(g) -0.84 -4.10 -3.26 N2 Nahcolite -11.05 -21.93 -10.88 NaHCO3 Natron -20.90 -22.22 -1.31 Na2CO3:10H2O Nesquehonite -13.38 -19.00 -5.62 MgCO3:3H2O NH3(g) -56.58 -61.11 -4.52 NH3 O2(g) -4.38 78.74 83.12 O2 Portlandite -19.20 3.60 22.80 Ca(OH)2 Sulfur -92.52 -128.33 -35.81 S Thenardite -10.61 -10.79 -0.18 Na2SO4 Thermonatrite -22.34 -22.21 0.13 Na2CO3:H2O Trona -33.02 -44.14 -11.12 NaHCO3:Na2CO3:2H2O ------------------ End of simulation. ------------------ ------------------------------------ Reading input data for simulation 3. ------------------------------------ USE solution 2 EQUILIBRIUM_PHASES 2 Calcite 0 10 CO2(g) -2 10 SAVE solution 3 END ----------------------------------------- Beginning of batch-reaction calculations. ----------------------------------------- Reaction step 1. Using solution 2. Solution after simulation 2. Using pure phase assemblage 2. -------------------------------Phase assemblage-------------------------------- Moles in assemblage Phase SI log IAP log KT Initial Final Delta Calcite 0.00 -8.48 -8.48 1.000e+001 9.998e+000-1.749e-003 CO2(g) -2.00 -20.15 -18.15 1.000e+001 9.998e+000-1.774e-003 -----------------------------Solution composition------------------------------ Elements Molality Moles C 3.534e-003 3.534e-003 Ca 2.133e-003 2.133e-003 Cl 2.360e-004 2.360e-004 K 3.600e-005 3.600e-005 Mg 4.300e-005 4.300e-005 N 4.450e-004 4.450e-004 Na 1.410e-004 1.410e-004 S 1.300e-003 1.300e-003 ----------------------------Description of solution---------------------------- pH = 7.276 Charge balance pe = 11.670 Adjusted to redox equilibrium Activity of water = 1.000 Ionic strength = 7.972e-003 Mass of water (kg) = 1.000e+000 Total alkalinity (eq/kg) = 3.204e-003 Total CO2 (mol/kg) = 3.534e-003 Temperature (deg C) = 25.000 Electrical balance (eq) = -1.797e-003 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -18.13 Iterations = 9 Total H = 1.110133e+002 Total O = 5.552138e+001 ----------------------------Distribution of species---------------------------- Log Log Log Species Molality Activity Molality Activity Gamma OH- 2.076e-007 1.891e-007 -6.683 -6.723 -0.041 H+ 5.750e-008 5.292e-008 -7.240 -7.276 -0.036 H2O 5.551e+001 9.999e-001 1.744 -0.000 0.000 C(-4) 0.000e+000 CH4 0.000e+000 0.000e+000 -130.650 -130.649 0.001 C(4) 3.534e-003 HCO3- 3.131e-003 2.861e-003 -2.504 -2.544 -0.039 CO2 3.398e-004 3.405e-004 -3.469 -3.468 0.001 CaHCO3+ 5.235e-005 4.768e-005 -4.281 -4.322 -0.041 CaCO3 5.539e-006 5.550e-006 -5.257 -5.256 0.001 CO3-2 3.639e-006 2.535e-006 -5.439 -5.596 -0.157 MgHCO3+ 9.599e-007 8.743e-007 -6.018 -6.058 -0.041 NaHCO3 2.054e-007 2.057e-007 -6.687 -6.687 0.001 MgCO3 6.307e-008 6.318e-008 -7.200 -7.199 0.001 NaCO3- 6.627e-009 6.036e-009 -8.179 -8.219 -0.041 Ca 2.133e-003 Ca+2 1.877e-003 1.307e-003 -2.726 -2.884 -0.157 CaSO4 1.979e-004 1.983e-004 -3.703 -3.703 0.001 CaHCO3+ 5.235e-005 4.768e-005 -4.281 -4.322 -0.041 CaCO3 5.539e-006 5.550e-006 -5.257 -5.256 0.001 CaOH+ 4.498e-009 4.097e-009 -8.347 -8.388 -0.041 CaHSO4+ 6.750e-011 6.148e-011 -10.171 -10.211 -0.041 Cl 2.360e-004 Cl- 2.360e-004 2.147e-004 -3.627 -3.668 -0.041 H(0) 0.000e+000 H2 0.000e+000 0.000e+000 -41.044 -41.043 0.001 K 3.600e-005 K+ 3.581e-005 3.257e-005 -4.446 -4.487 -0.041 KSO4- 1.911e-007 1.741e-007 -6.719 -6.759 -0.041 Mg 4.300e-005 Mg+2 3.733e-005 2.612e-005 -4.428 -4.583 -0.155 MgSO4 4.648e-006 4.657e-006 -5.333 -5.332 0.001 MgHCO3+ 9.599e-007 8.743e-007 -6.018 -6.058 -0.041 MgCO3 6.307e-008 6.318e-008 -7.200 -7.199 0.001 MgOH+ 1.967e-009 1.792e-009 -8.706 -8.747 -0.041 N(-3) 0.000e+000 NH4+ 0.000e+000 0.000e+000 -50.589 -50.630 -0.041 NH4SO4- 0.000e+000 0.000e+000 -52.598 -52.638 -0.041 NH3 0.000e+000 0.000e+000 -52.598 -52.597 0.001 N(0) 1.579e-004 N2 7.897e-005 7.911e-005 -4.103 -4.102 0.001 N(3) 1.365e-013 NO2- 1.365e-013 1.244e-013 -12.865 -12.905 -0.041 N(5) 2.871e-004 NO3- 2.871e-004 2.615e-004 -3.542 -3.583 -0.041 Na 1.410e-004 Na+ 1.403e-004 1.279e-004 -3.853 -3.893 -0.040 NaSO4- 5.351e-007 4.875e-007 -6.272 -6.312 -0.041 NaHCO3 2.054e-007 2.057e-007 -6.687 -6.687 0.001 NaCO3- 6.627e-009 6.036e-009 -8.179 -8.219 -0.041 O(0) 1.014e-010 O2 5.068e-011 5.077e-011 -10.295 -10.294 0.001 S(-2) 0.000e+000 HS- 0.000e+000 0.000e+000 -128.224 -128.264 -0.041 H2S 0.000e+000 0.000e+000 -128.600 -128.599 0.001 S5-2 0.000e+000 0.000e+000 -130.448 -130.583 -0.135 S4-2 0.000e+000 0.000e+000 -130.676 -130.817 -0.141 S6-2 0.000e+000 0.000e+000 -130.740 -130.869 -0.129 S-2 0.000e+000 0.000e+000 -133.744 -133.906 -0.162 S3-2 0.000e+000 0.000e+000 -134.122 -134.270 -0.147 S2-2 0.000e+000 0.000e+000 -135.363 -135.516 -0.153 S(6) 1.300e-003 SO4-2 1.097e-003 7.605e-004 -2.960 -3.119 -0.159 CaSO4 1.979e-004 1.983e-004 -3.703 -3.703 0.001 MgSO4 4.648e-006 4.657e-006 -5.333 -5.332 0.001 NaSO4- 5.351e-007 4.875e-007 -6.272 -6.312 -0.041 KSO4- 1.911e-007 1.741e-007 -6.719 -6.759 -0.041 HSO4- 4.296e-009 3.913e-009 -8.367 -8.407 -0.041 CaHSO4+ 6.750e-011 6.148e-011 -10.171 -10.211 -0.041 NH4SO4- 0.000e+000 0.000e+000 -52.598 -52.638 -0.041 ------------------------------Saturation indices------------------------------- Phase SI log IAP log KT Anhydrite -1.64 -6.00 -4.36 CaSO4 Aragonite -0.14 -8.48 -8.34 CaCO3 Artinite -9.81 -0.21 9.60 MgCO3:Mg(OH)2:3H2O Brucite -6.87 9.97 16.84 Mg(OH)2 Calcite 0.00 -8.48 -8.48 CaCO3 CH4(g) -127.79 -171.72 -43.93 CH4 CO2(g) -2.00 -20.15 -18.15 CO2 Dolomite -1.57 -18.66 -17.09 CaMg(CO3)2 Dolomite(d) -2.12 -18.66 -16.54 CaMg(CO3)2 Epsomite -5.56 -7.70 -2.14 MgSO4:7H2O Gypsum -1.42 -6.00 -4.58 CaSO4:2H2O H2(g) -37.89 -37.89 0.00 H2 H2O(g) -1.51 -0.00 1.51 H2O H2S(g) -127.60 -169.24 -41.64 H2S Halite -9.14 -7.56 1.58 NaCl Huntite -9.05 -39.02 -29.97 CaMg3(CO3)4 Hydromagnesite -21.98 -30.75 -8.76 Mg5(CO3)4(OH)2:4H2O Magnesite -2.15 -10.18 -8.03 MgCO3 Mirabilite -9.79 -10.91 -1.11 Na2SO4:10H2O N2(g) -0.84 -211.18 -210.34 N2 Nahcolite -5.89 -16.77 -10.88 NaHCO3 Natron -12.07 -13.38 -1.31 Na2CO3:10H2O Nesquehonite -4.56 -10.18 -5.62 MgCO3:3H2O NH3(g) -54.37 -162.43 -108.06 NH3 O2(g) -7.33 75.79 83.12 O2 Portlandite -11.13 11.67 22.80 Ca(OH)2 Sulfur -95.54 -131.35 -35.81 S Thenardite -10.73 -10.91 -0.18 Na2SO4 Thermonatrite -13.51 -13.38 0.13 Na2CO3:H2O Trona -19.02 -30.15 -11.12 NaHCO3:Na2CO3:2H2O ------------------ End of simulation. ------------------ ------------------------------------ Reading input data for simulation 4. ------------------------------------ USE solution 3 REACTION 1 CO2 1 1 millimoles EQUILIBRIUM_PHASES 3 Calcite 0 10 SAVE solution 4 END ----------------------------------------- Beginning of batch-reaction calculations. ----------------------------------------- Reaction step 1. Using solution 3. Solution after simulation 3. Using pure phase assemblage 3. Using reaction 1. Reaction 1. Irreversible reaction defined in simulation 4. 1.000e-003 moles of the following reaction have been added: Relative Reactant moles CO2 1.00 Relative Element moles C 1.00 O 2.00 -------------------------------Phase assemblage-------------------------------- Moles in assemblage Phase SI log IAP log KT Initial Final Delta Calcite 0.00 -8.48 -8.48 1.000e+001 9.999e+000-5.767e-004 -----------------------------Solution composition------------------------------ Elements Molality Moles C 5.111e-003 5.111e-003 Ca 2.710e-003 2.710e-003 Cl 2.360e-004 2.360e-004 K 3.600e-005 3.600e-005 Mg 4.300e-005 4.300e-005 N 4.450e-004 4.450e-004 Na 1.410e-004 1.410e-004 S 1.300e-003 1.300e-003 ----------------------------Description of solution---------------------------- pH = 7.055 Charge balance pe = 11.935 Adjusted to redox equilibrium Activity of water = 1.000 Ionic strength = 9.502e-003 Mass of water (kg) = 1.000e+000 Total alkalinity (eq/kg) = 4.357e-003 Total CO2 (mol/kg) = 5.111e-003 Temperature (deg C) = 25.000 Electrical balance (eq) = -1.797e-003 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -14.95 Iterations = 4 Total H = 1.110133e+002 Total O = 5.552511e+001 ----------------------------Distribution of species---------------------------- Log Log Log Species Molality Activity Molality Activity Gamma OH- 1.256e-007 1.136e-007 -6.901 -6.945 -0.044 H+ 9.631e-008 8.813e-008 -7.016 -7.055 -0.039 H2O 5.551e+001 9.998e-001 1.744 -0.000 0.000 C(-4) 0.000e+000 CH4 0.000e+000 0.000e+000 -130.648 -130.647 0.001 C(4) 5.111e-003 HCO3- 4.250e-003 3.856e-003 -2.372 -2.414 -0.042 CO2 7.624e-004 7.641e-004 -3.118 -3.117 0.001 CaHCO3+ 8.782e-005 7.940e-005 -4.056 -4.100 -0.044 CaCO3 5.537e-006 5.550e-006 -5.257 -5.256 0.001 CO3-2 3.030e-006 2.052e-006 -5.519 -5.688 -0.169 MgHCO3+ 1.271e-006 1.149e-006 -5.896 -5.940 -0.044 NaHCO3 2.746e-007 2.752e-007 -6.561 -6.560 0.001 MgCO3 4.975e-008 4.986e-008 -7.303 -7.302 0.001 NaCO3- 5.363e-009 4.849e-009 -8.271 -8.314 -0.044 Ca 2.710e-003 Ca+2 2.386e-003 1.615e-003 -2.622 -2.792 -0.170 CaSO4 2.305e-004 2.310e-004 -3.637 -3.636 0.001 CaHCO3+ 8.782e-005 7.940e-005 -4.056 -4.100 -0.044 CaCO3 5.537e-006 5.550e-006 -5.257 -5.256 0.001 CaOH+ 3.362e-009 3.040e-009 -8.473 -8.517 -0.044 CaHSO4+ 1.319e-010 1.193e-010 -9.880 -9.923 -0.044 Cl 2.360e-004 Cl- 2.360e-004 2.130e-004 -3.627 -3.672 -0.045 H(0) 0.000e+000 H2 0.000e+000 0.000e+000 -41.131 -41.130 0.001 K 3.600e-005 K+ 3.582e-005 3.233e-005 -4.446 -4.490 -0.045 KSO4- 1.802e-007 1.629e-007 -6.744 -6.788 -0.044 Mg 4.300e-005 Mg+2 3.741e-005 2.547e-005 -4.427 -4.594 -0.167 MgSO4 4.272e-006 4.282e-006 -5.369 -5.368 0.001 MgHCO3+ 1.271e-006 1.149e-006 -5.896 -5.940 -0.044 MgCO3 4.975e-008 4.986e-008 -7.303 -7.302 0.001 MgOH+ 1.160e-009 1.049e-009 -8.935 -8.979 -0.044 N(-3) 0.000e+000 NH4+ 0.000e+000 0.000e+000 -50.495 -50.539 -0.044 NH4SO4- 0.000e+000 0.000e+000 -52.530 -52.573 -0.044 NH3 0.000e+000 0.000e+000 -52.729 -52.728 0.001 N(0) 1.579e-004 N2 7.897e-005 7.914e-005 -4.103 -4.102 0.001 N(3) 1.117e-013 NO2- 1.117e-013 1.010e-013 -12.952 -12.996 -0.044 N(5) 2.871e-004 NO3- 2.871e-004 2.596e-004 -3.542 -3.586 -0.044 Na 1.410e-004 Na+ 1.402e-004 1.269e-004 -3.853 -3.896 -0.043 NaSO4- 5.045e-007 4.562e-007 -6.297 -6.341 -0.044 NaHCO3 2.746e-007 2.752e-007 -6.561 -6.560 0.001 NaCO3- 5.363e-009 4.849e-009 -8.271 -8.314 -0.044 O(0) 1.514e-010 O2 7.572e-011 7.588e-011 -10.121 -10.120 0.001 S(-2) 0.000e+000 HS- 0.000e+000 0.000e+000 -128.373 -128.417 -0.044 H2S 0.000e+000 0.000e+000 -128.531 -128.530 0.001 S5-2 0.000e+000 0.000e+000 -130.814 -130.957 -0.143 S4-2 0.000e+000 0.000e+000 -131.041 -131.191 -0.150 S6-2 0.000e+000 0.000e+000 -131.106 -131.243 -0.137 S-2 0.000e+000 0.000e+000 -134.105 -134.280 -0.175 S3-2 0.000e+000 0.000e+000 -134.486 -134.644 -0.158 S2-2 0.000e+000 0.000e+000 -135.726 -135.890 -0.164 S(6) 1.300e-003 SO4-2 1.065e-003 7.171e-004 -2.973 -3.144 -0.172 CaSO4 2.305e-004 2.310e-004 -3.637 -3.636 0.001 MgSO4 4.272e-006 4.282e-006 -5.369 -5.368 0.001 NaSO4- 5.045e-007 4.562e-007 -6.297 -6.341 -0.044 KSO4- 1.802e-007 1.629e-007 -6.744 -6.788 -0.044 HSO4- 6.796e-009 6.145e-009 -8.168 -8.212 -0.044 CaHSO4+ 1.319e-010 1.193e-010 -9.880 -9.923 -0.044 NH4SO4- 0.000e+000 0.000e+000 -52.530 -52.573 -0.044 ------------------------------Saturation indices------------------------------- Phase SI log IAP log KT Anhydrite -1.58 -5.94 -4.36 CaSO4 Aragonite -0.14 -8.48 -8.34 CaCO3 Artinite -10.37 -0.77 9.60 MgCO3:Mg(OH)2:3H2O Brucite -7.32 9.52 16.84 Mg(OH)2 Calcite 0.00 -8.48 -8.48 CaCO3 CH4(g) -127.79 -171.72 -43.93 CH4 CO2(g) -1.65 -19.80 -18.15 CO2 Dolomite -1.67 -18.76 -17.09 CaMg(CO3)2 Dolomite(d) -2.22 -18.76 -16.54 CaMg(CO3)2 Epsomite -5.60 -7.74 -2.14 MgSO4:7H2O Gypsum -1.36 -5.94 -4.58 CaSO4:2H2O H2(g) -37.98 -37.98 0.00 H2 H2O(g) -1.51 -0.00 1.51 H2O H2S(g) -127.53 -169.17 -41.64 H2S Halite -9.15 -7.57 1.58 NaCl Huntite -9.36 -39.33 -29.97 CaMg3(CO3)4 Hydromagnesite -22.85 -31.61 -8.76 Mg5(CO3)4(OH)2:4H2O Magnesite -2.25 -10.28 -8.03 MgCO3 Mirabilite -9.82 -10.94 -1.11 Na2SO4:10H2O N2(g) -0.84 -211.18 -210.34 N2 Nahcolite -5.76 -16.64 -10.88 NaHCO3 Natron -12.17 -13.48 -1.31 Na2CO3:10H2O Nesquehonite -4.66 -10.28 -5.62 MgCO3:3H2O NH3(g) -54.50 -162.56 -108.06 NH3 O2(g) -7.16 75.96 83.12 O2 Portlandite -11.48 11.32 22.80 Ca(OH)2 Sulfur -95.38 -131.19 -35.81 S Thenardite -10.76 -10.94 -0.18 Na2SO4 Thermonatrite -13.61 -13.48 0.13 Na2CO3:H2O Trona -19.00 -30.12 -11.12 NaHCO3:Na2CO3:2H2O ------------------ End of simulation. ------------------ ------------------------------------ Reading input data for simulation 5. ------------------------------------ ----------- End of run. -----------