Input file: H:\ntc\03\Monday\totalalk.pqi Output file: H:\ntc\03\Monday\totalalk.pqo Database file: C:\Program Files\USGS\Phreeqc Interactive 2.6\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. ------------------------------------ DATABASE C:\Program Files\USGS\Phreeqc Interactive 2.6\phreeqc.dat SOLUTION_SPREAD pH Alkalinity 6 2 7 2 8 2 9 2 10 2 11 2 SELECTED_OUTPUT file totalalk.sel reset false ph true totals C molalities CO2 HCO3- CO3-2 END ------------------------------------------- Beginning of initial solution calculations. ------------------------------------------- Initial solution 1. -----------------------------Solution composition------------------------------ Elements Molality Moles Alkalinity 2.000e-003 2.000e-003 ----------------------------Description of solution---------------------------- pH = 6.000 pe = 4.000 Activity of water = 1.000 Ionic strength = 1.001e-003 Mass of water (kg) = 1.000e+000 Total carbon (mol/kg) = 6.344e-003 Total CO2 (mol/kg) = 6.344e-003 Temperature (deg C) = 25.000 Electrical balance (eq) = -2.000e-003 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -99.90 Iterations = 6 Total H = 1.110144e+002 Total O = 5.552090e+001 ----------------------------Distribution of species---------------------------- Log Log Log Species Molality Activity Molality Activity Gamma H+ 1.035e-006 1.000e-006 -5.985 -6.000 -0.015 OH- 1.037e-008 1.001e-008 -7.984 -8.000 -0.016 H2O 5.551e+001 9.999e-001 1.744 -0.000 0.000 C(4) 6.344e-003 CO2 4.343e-003 4.344e-003 -2.362 -2.362 0.000 HCO3- 2.001e-003 1.932e-003 -2.699 -2.714 -0.015 CO3-2 1.043e-007 9.059e-008 -6.982 -7.043 -0.061 H(0) 1.416e-023 H2 7.078e-024 7.079e-024 -23.150 -23.150 0.000 O(0) 0.000e+000 O2 0.000e+000 0.000e+000 -46.080 -46.080 0.000 ------------------------------Saturation indices------------------------------- Phase SI log IAP log KT CO2(g) -0.89 -19.04 -18.15 CO2 H2(g) -20.00 -20.00 0.00 H2 H2O(g) -1.51 -0.00 1.51 H2O O2(g) -43.12 40.00 83.12 O2 Initial solution 2. -----------------------------Solution composition------------------------------ Elements Molality Moles Alkalinity 2.000e-003 2.000e-003 ----------------------------Description of solution---------------------------- pH = 7.000 pe = 4.000 Activity of water = 1.000 Ionic strength = 1.001e-003 Mass of water (kg) = 1.000e+000 Total carbon (mol/kg) = 2.433e-003 Total CO2 (mol/kg) = 2.433e-003 Temperature (deg C) = 25.000 Electrical balance (eq) = -2.000e-003 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -99.99 Iterations = 3 Total H = 1.110144e+002 Total O = 5.551308e+001 ----------------------------Distribution of species---------------------------- Log Log Log Species Molality Activity Molality Activity Gamma OH- 1.038e-007 1.001e-007 -6.984 -7.000 -0.016 H+ 1.035e-007 1.000e-007 -6.985 -7.000 -0.015 H2O 5.551e+001 1.000e+000 1.744 -0.000 0.000 C(4) 2.433e-003 HCO3- 1.998e-003 1.929e-003 -2.699 -2.715 -0.015 CO2 4.336e-004 4.337e-004 -3.363 -3.363 0.000 CO3-2 1.041e-006 9.046e-007 -5.983 -6.044 -0.061 H(0) 1.416e-025 H2 7.078e-026 7.079e-026 -25.150 -25.150 0.000 O(0) 0.000e+000 O2 0.000e+000 0.000e+000 -42.080 -42.080 0.000 ------------------------------Saturation indices------------------------------- Phase SI log IAP log KT CO2(g) -1.89 -20.04 -18.15 CO2 H2(g) -22.00 -22.00 0.00 H2 H2O(g) -1.51 -0.00 1.51 H2O O2(g) -39.12 44.00 83.12 O2 Initial solution 3. -----------------------------Solution composition------------------------------ Elements Molality Moles Alkalinity 2.000e-003 2.000e-003 ----------------------------Description of solution---------------------------- pH = 8.000 pe = 4.000 Activity of water = 1.000 Ionic strength = 1.010e-003 Mass of water (kg) = 1.000e+000 Total carbon (mol/kg) = 2.032e-003 Total CO2 (mol/kg) = 2.032e-003 Temperature (deg C) = 25.000 Electrical balance (eq) = -2.000e-003 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -100.00 Iterations = 4 Total H = 1.110144e+002 Total O = 5.551227e+001 ----------------------------Distribution of species---------------------------- Log Log Log Species Molality Activity Molality Activity Gamma OH- 1.038e-006 1.001e-006 -5.984 -6.000 -0.016 H+ 1.035e-008 1.000e-008 -7.985 -8.000 -0.015 H2O 5.551e+001 1.000e+000 1.744 -0.000 0.000 C(4) 2.032e-003 HCO3- 1.978e-003 1.910e-003 -2.704 -2.719 -0.015 CO2 4.293e-005 4.294e-005 -4.367 -4.367 0.000 CO3-2 1.031e-005 8.956e-006 -4.987 -5.048 -0.061 H(0) 1.416e-027 H2 7.078e-028 7.079e-028 -27.150 -27.150 0.000 O(0) 1.663e-038 O2 8.315e-039 8.317e-039 -38.080 -38.080 0.000 ------------------------------Saturation indices------------------------------- Phase SI log IAP log KT CO2(g) -2.90 -21.05 -18.15 CO2 H2(g) -24.00 -24.00 0.00 H2 H2O(g) -1.51 -0.00 1.51 H2O O2(g) -35.12 48.00 83.12 O2 Initial solution 4. -----------------------------Solution composition------------------------------ Elements Molality Moles Alkalinity 2.000e-003 2.000e-003 ----------------------------Description of solution---------------------------- pH = 9.000 pe = 4.000 Activity of water = 1.000 Ionic strength = 1.094e-003 Mass of water (kg) = 1.000e+000 Total carbon (mol/kg) = 1.899e-003 Total CO2 (mol/kg) = 1.899e-003 Temperature (deg C) = 25.000 Electrical balance (eq) = -2.000e-003 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -100.00 Iterations = 4 Total H = 1.110142e+002 Total O = 5.551192e+001 ----------------------------Distribution of species---------------------------- Log Log Log Species Molality Activity Molality Activity Gamma OH- 1.039e-005 1.001e-005 -4.983 -5.000 -0.016 H+ 1.036e-009 1.000e-009 -8.985 -9.000 -0.015 H2O 5.551e+001 1.000e+000 1.744 -0.000 0.000 C(4) 1.899e-003 HCO3- 1.801e-003 1.736e-003 -2.744 -2.760 -0.016 CO3-2 9.428e-005 8.142e-005 -4.026 -4.089 -0.064 CO2 3.903e-006 3.904e-006 -5.409 -5.409 0.000 H(0) 1.416e-029 H2 7.078e-030 7.079e-030 -29.150 -29.150 0.000 O(0) 1.663e-034 O2 8.315e-035 8.317e-035 -34.080 -34.080 0.000 ------------------------------Saturation indices------------------------------- Phase SI log IAP log KT CO2(g) -3.94 -22.09 -18.15 CO2 H2(g) -26.00 -26.00 0.00 H2 H2O(g) -1.51 -0.00 1.51 H2O O2(g) -31.12 52.00 83.12 O2 Initial solution 5. -----------------------------Solution composition------------------------------ Elements Molality Moles Alkalinity 2.000e-003 2.000e-003 ----------------------------Description of solution---------------------------- pH = 10.000 pe = 4.000 Activity of water = 1.000 Ionic strength = 1.489e-003 Mass of water (kg) = 1.000e+000 Total carbon (mol/kg) = 1.407e-003 Total CO2 (mol/kg) = 1.407e-003 Temperature (deg C) = 25.000 Electrical balance (eq) = -2.000e-003 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -100.00 Iterations = 3 Total H = 1.110135e+002 Total O = 5.551054e+001 ----------------------------Distribution of species---------------------------- Log Log Log Species Molality Activity Molality Activity Gamma OH- 1.045e-004 1.001e-004 -3.981 -4.000 -0.019 H+ 1.041e-010 1.000e-010 -9.982 -10.000 -0.018 H2O 5.551e+001 1.000e+000 1.744 -0.000 0.000 C(4) 1.407e-003 HCO3- 9.179e-004 8.798e-004 -3.037 -3.056 -0.018 CO3-2 4.888e-004 4.126e-004 -3.311 -3.384 -0.074 CO2 1.978e-007 1.978e-007 -6.704 -6.704 0.000 H(0) 1.415e-031 H2 7.077e-032 7.079e-032 -31.150 -31.150 0.000 O(0) 1.663e-030 O2 8.314e-031 8.317e-031 -30.080 -30.080 0.000 ------------------------------Saturation indices------------------------------- Phase SI log IAP log KT CO2(g) -5.24 -23.38 -18.15 CO2 H2(g) -28.00 -28.00 0.00 H2 H2O(g) -1.51 -0.00 1.51 H2O O2(g) -27.12 56.00 83.12 O2 Initial solution 6. -----------------------------Solution composition------------------------------ Elements Molality Moles Alkalinity 2.000e-003 2.000e-003 ----------------------------Description of solution---------------------------- pH = 11.000 pe = 4.000 Activity of water = 1.000 Ionic strength = 1.437e-003 Mass of water (kg) = 1.000e+000 Total carbon (mol/kg) = 5.188e-004 Total CO2 (mol/kg) = 5.188e-004 Temperature (deg C) = 25.000 Electrical balance (eq) = -2.000e-003 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -100.00 Iterations = 5 Total H = 1.110136e+002 Total O = 5.550882e+001 ----------------------------Distribution of species---------------------------- Log Log Log Species Molality Activity Molality Activity Gamma OH- 1.045e-003 1.001e-003 -2.981 -3.000 -0.018 H+ 1.041e-011 1.000e-011 -10.983 -11.000 -0.017 H2O 5.551e+001 1.000e+000 1.744 -0.000 0.000 C(4) 5.188e-004 CO3-2 4.366e-004 3.696e-004 -3.360 -3.432 -0.072 HCO3- 8.216e-005 7.881e-005 -4.085 -4.103 -0.018 CO2 1.771e-009 1.772e-009 -8.752 -8.752 0.000 H(0) 1.415e-033 H2 7.077e-034 7.079e-034 -33.150 -33.150 0.000 O(0) 1.663e-026 O2 8.314e-027 8.317e-027 -26.080 -26.080 0.000 ------------------------------Saturation indices------------------------------- Phase SI log IAP log KT CO2(g) -7.28 -25.43 -18.15 CO2 H2(g) -30.00 -30.00 0.00 H2 H2O(g) -1.51 -0.00 1.51 H2O O2(g) -23.12 60.00 83.12 O2 ------------------ End of simulation. ------------------ ------------------------------------ Reading input data for simulation 2. ------------------------------------ ----------- End of run. -----------