Input file: H:\ntc\03\Tuesday\implicit.pqi Output file: H:\ntc\03\Tuesday\implicit.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 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. ------------------------------------ ----------- End of run. -----------