Input file: H:\ntc\03\Monday\totalc.pqi Output file: H:\ntc\03\Monday\totalc.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 C 4 1 5 1 6 1 7 1 8 1 9 1 10 1 11 1 12 1 SELECTED_OUTPUT file totalc.sel reset false ph true molalities CO2 HCO3- CO3-2 END ------------------------------------------- Beginning of initial solution calculations. ------------------------------------------- Initial solution 1. -----------------------------Solution composition------------------------------ Elements Molality Moles C 1.000e-003 1.000e-003 ----------------------------Description of solution---------------------------- pH = 4.000 pe = 4.000 Activity of water = 1.000 Ionic strength = 5.265e-005 Mass of water (kg) = 1.000e+000 Total alkalinity (eq/kg) = -9.637e-005 Total CO2 (mol/kg) = 1.000e-003 Temperature (deg C) = 25.000 Electrical balance (eq) = 9.637e-005 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 91.52 Iterations = 3 Total H = 1.110125e+002 Total O = 5.550822e+001 ----------------------------Distribution of species---------------------------- Log Log Log Species Molality Activity Molality Activity Gamma H+ 1.008e-004 1.000e-004 -3.996 -4.000 -0.004 OH- 1.010e-010 1.001e-010 -9.996 -10.000 -0.004 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 -42.612 -42.612 0.000 C(4) 1.000e-003 CO2 9.955e-004 9.955e-004 -3.002 -3.002 0.000 HCO3- 4.465e-006 4.428e-006 -5.350 -5.354 -0.004 CO3-2 2.147e-012 2.077e-012 -11.668 -11.683 -0.015 H(0) 1.416e-019 H2 7.079e-020 7.079e-020 -19.150 -19.150 0.000 O(0) 0.000e+000 O2 0.000e+000 0.000e+000 -54.080 -54.080 0.000 ------------------------------Saturation indices------------------------------- Phase SI log IAP log KT CH4(g) -39.75 -83.68 -43.93 CH4 CO2(g) -1.53 -19.68 -18.15 CO2 H2(g) -16.00 -16.00 0.00 H2 H2O(g) -1.51 -0.00 1.51 H2O O2(g) -51.12 32.00 83.12 O2 Initial solution 2. -----------------------------Solution composition------------------------------ Elements Molality Moles C 1.000e-003 1.000e-003 ----------------------------Description of solution---------------------------- pH = 5.000 pe = 4.000 Activity of water = 1.000 Ionic strength = 2.644e-005 Mass of water (kg) = 1.000e+000 Total alkalinity (eq/kg) = 3.277e-005 Total CO2 (mol/kg) = 1.000e-003 Temperature (deg C) = 25.000 Electrical balance (eq) = -3.277e-005 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -61.96 Iterations = 3 Total H = 1.110125e+002 Total O = 5.550826e+001 ----------------------------Distribution of species---------------------------- Log Log Log Species Molality Activity Molality Activity Gamma H+ 1.006e-005 1.000e-005 -4.997 -5.000 -0.003 OH- 1.007e-009 1.001e-009 -8.997 -9.000 -0.003 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 -50.629 -50.629 0.000 C(4) 1.000e-003 CO2 9.572e-004 9.572e-004 -3.019 -3.019 0.000 HCO3- 4.283e-005 4.257e-005 -4.368 -4.371 -0.003 CO3-2 2.045e-010 1.996e-010 -9.689 -9.700 -0.010 H(0) 1.416e-021 H2 7.079e-022 7.079e-022 -21.150 -21.150 0.000 O(0) 0.000e+000 O2 0.000e+000 0.000e+000 -50.080 -50.080 0.000 ------------------------------Saturation indices------------------------------- Phase SI log IAP log KT CH4(g) -47.77 -91.70 -43.93 CH4 CO2(g) -1.55 -19.70 -18.15 CO2 H2(g) -18.00 -18.00 0.00 H2 H2O(g) -1.51 -0.00 1.51 H2O O2(g) -47.12 36.00 83.12 O2 Initial solution 3. -----------------------------Solution composition------------------------------ Elements Molality Moles C 1.000e-003 1.000e-003 ----------------------------Description of solution---------------------------- pH = 6.000 pe = 4.000 Activity of water = 1.000 Ionic strength = 1.560e-004 Mass of water (kg) = 1.000e+000 Total alkalinity (eq/kg) = 3.099e-004 Total CO2 (mol/kg) = 1.000e-003 Temperature (deg C) = 25.000 Electrical balance (eq) = -3.099e-004 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -99.35 Iterations = 3 Total H = 1.110127e+002 Total O = 5.550853e+001 ----------------------------Distribution of species---------------------------- Log Log Log Species Molality Activity Molality Activity Gamma H+ 1.014e-006 1.000e-006 -5.994 -6.000 -0.006 OH- 1.016e-008 1.001e-008 -7.993 -8.000 -0.006 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 -58.771 -58.771 0.000 C(4) 1.000e-003 CO2 6.891e-004 6.891e-004 -3.162 -3.162 0.000 HCO3- 3.109e-004 3.065e-004 -3.507 -3.514 -0.006 CO3-2 1.522e-008 1.437e-008 -7.818 -7.842 -0.025 H(0) 1.416e-023 H2 7.079e-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 CH4(g) -55.91 -99.84 -43.93 CH4 CO2(g) -1.69 -19.84 -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 4. -----------------------------Solution composition------------------------------ Elements Molality Moles C 1.000e-003 1.000e-003 ----------------------------Description of solution---------------------------- pH = 7.000 pe = 4.000 Activity of water = 1.000 Ionic strength = 4.107e-004 Mass of water (kg) = 1.000e+000 Total alkalinity (eq/kg) = 8.203e-004 Total CO2 (mol/kg) = 1.000e-003 Temperature (deg C) = 25.000 Electrical balance (eq) = -8.203e-004 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -99.98 Iterations = 4 Total H = 1.110133e+002 Total O = 5.550904e+001 ----------------------------Distribution of species---------------------------- Log Log Log Species Molality Activity Molality Activity Gamma OH- 1.025e-007 1.001e-007 -6.989 -7.000 -0.010 H+ 1.023e-007 1.000e-007 -6.990 -7.000 -0.010 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 -67.354 -67.354 0.000 C(4) 1.000e-003 HCO3- 8.195e-004 8.009e-004 -3.086 -3.096 -0.010 CO2 1.801e-004 1.801e-004 -3.745 -3.745 0.000 CO3-2 4.117e-007 3.756e-007 -6.385 -6.425 -0.040 H(0) 1.416e-025 H2 7.079e-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 CH4(g) -64.49 -108.43 -43.93 CH4 CO2(g) -2.28 -20.43 -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 5. -----------------------------Solution composition------------------------------ Elements Molality Moles C 1.000e-003 1.000e-003 ----------------------------Description of solution---------------------------- pH = 8.000 pe = 4.000 Activity of water = 1.000 Ionic strength = 4.972e-004 Mass of water (kg) = 1.000e+000 Total alkalinity (eq/kg) = 9.846e-004 Total CO2 (mol/kg) = 1.000e-003 Temperature (deg C) = 25.000 Electrical balance (eq) = -9.846e-004 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -100.00 Iterations = 4 Total H = 1.110134e+002 Total O = 5.550920e+001 ----------------------------Distribution of species---------------------------- Log Log Log Species Molality Activity Molality Activity Gamma OH- 1.027e-006 1.001e-006 -5.988 -6.000 -0.011 H+ 1.025e-008 1.000e-008 -7.989 -8.000 -0.011 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 -76.280 -76.280 0.000 C(4) 1.000e-003 HCO3- 9.737e-004 9.495e-004 -3.012 -3.022 -0.011 CO2 2.135e-005 2.135e-005 -4.671 -4.671 0.000 CO3-2 4.924e-006 4.453e-006 -5.308 -5.351 -0.044 H(0) 1.416e-027 H2 7.079e-028 7.079e-028 -27.150 -27.150 0.000 O(0) 1.663e-038 O2 8.316e-039 8.317e-039 -38.080 -38.080 0.000 ------------------------------Saturation indices------------------------------- Phase SI log IAP log KT CH4(g) -73.42 -117.35 -43.93 CH4 CO2(g) -3.20 -21.35 -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 6. -----------------------------Solution composition------------------------------ Elements Molality Moles C 1.000e-003 1.000e-003 ----------------------------Description of solution---------------------------- pH = 9.000 pe = 4.000 Activity of water = 1.000 Ionic strength = 5.765e-004 Mass of water (kg) = 1.000e+000 Total alkalinity (eq/kg) = 1.057e-003 Total CO2 (mol/kg) = 1.000e-003 Temperature (deg C) = 25.000 Electrical balance (eq) = -1.057e-003 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -100.00 Iterations = 4 Total H = 1.110134e+002 Total O = 5.550922e+001 ----------------------------Distribution of species---------------------------- Log Log Log Species Molality Activity Molality Activity Gamma OH- 1.029e-005 1.001e-005 -4.988 -5.000 -0.012 H+ 1.027e-009 1.000e-009 -8.989 -9.000 -0.011 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 -85.292 -85.292 0.000 C(4) 1.000e-003 HCO3- 9.496e-004 9.243e-004 -3.022 -3.034 -0.012 CO3-2 4.829e-005 4.335e-005 -4.316 -4.363 -0.047 CO2 2.078e-006 2.078e-006 -5.682 -5.682 0.000 H(0) 1.416e-029 H2 7.079e-030 7.079e-030 -29.150 -29.150 0.000 O(0) 1.663e-034 O2 8.316e-035 8.317e-035 -34.080 -34.080 0.000 ------------------------------Saturation indices------------------------------- Phase SI log IAP log KT CH4(g) -82.43 -126.36 -43.93 CH4 CO2(g) -4.21 -22.36 -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 7. -----------------------------Solution composition------------------------------ Elements Molality Moles C 1.000e-003 1.000e-003 ----------------------------Description of solution---------------------------- pH = 10.000 pe = 4.000 Activity of water = 1.000 Ionic strength = 1.067e-003 Mass of water (kg) = 1.000e+000 Total alkalinity (eq/kg) = 1.447e-003 Total CO2 (mol/kg) = 1.000e-003 Temperature (deg C) = 25.000 Electrical balance (eq) = -1.447e-003 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -100.00 Iterations = 4 Total H = 1.110132e+002 Total O = 5.550932e+001 ----------------------------Distribution of species---------------------------- Log Log Log Species Molality Activity Molality Activity Gamma OH- 1.039e-004 1.001e-004 -3.984 -4.000 -0.016 H+ 1.036e-010 1.000e-010 -9.985 -10.000 -0.015 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 -94.456 -94.456 0.000 C(4) 1.000e-003 HCO3- 6.566e-004 6.333e-004 -3.183 -3.198 -0.016 CO3-2 3.433e-004 2.970e-004 -3.464 -3.527 -0.063 CO2 1.423e-007 1.424e-007 -6.847 -6.847 0.000 H(0) 1.416e-031 H2 7.078e-032 7.079e-032 -31.150 -31.150 0.000 O(0) 1.663e-030 O2 8.315e-031 8.317e-031 -30.080 -30.080 0.000 ------------------------------Saturation indices------------------------------- Phase SI log IAP log KT CH4(g) -91.60 -135.53 -43.93 CH4 CO2(g) -5.38 -23.53 -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 8. -----------------------------Solution composition------------------------------ Elements Molality Moles C 1.000e-003 1.000e-003 ----------------------------Description of solution---------------------------- pH = 11.000 pe = 4.000 Activity of water = 1.000 Ionic strength = 2.296e-003 Mass of water (kg) = 1.000e+000 Total alkalinity (eq/kg) = 2.901e-003 Total CO2 (mol/kg) = 1.000e-003 Temperature (deg C) = 25.000 Electrical balance (eq) = -2.901e-003 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -100.00 Iterations = 4 Total H = 1.110136e+002 Total O = 5.551027e+001 ----------------------------Distribution of species---------------------------- Log Log Log Species Molality Activity Molality Activity Gamma OH- 1.056e-003 1.001e-003 -2.976 -3.000 -0.023 H+ 1.050e-011 1.000e-011 -10.979 -11.000 -0.021 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 -104.092 -104.092 0.000 C(4) 1.000e-003 CO3-2 8.456e-004 6.874e-004 -3.073 -3.163 -0.090 HCO3- 1.544e-004 1.466e-004 -3.811 -3.834 -0.022 CO2 3.294e-009 3.296e-009 -8.482 -8.482 0.000 H(0) 1.415e-033 H2 7.076e-034 7.079e-034 -33.150 -33.150 0.000 O(0) 1.663e-026 O2 8.313e-027 8.317e-027 -26.080 -26.080 0.000 ------------------------------Saturation indices------------------------------- Phase SI log IAP log KT CH4(g) -101.23 -145.16 -43.93 CH4 CO2(g) -7.01 -25.16 -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 Initial solution 9. -----------------------------Solution composition------------------------------ Elements Molality Moles C 1.000e-003 1.000e-003 ----------------------------Description of solution---------------------------- pH = 12.000 pe = 4.000 Activity of water = 1.000 Ionic strength = 7.463e-003 Mass of water (kg) = 1.000e+000 Total alkalinity (eq/kg) = 1.296e-002 Total CO2 (mol/kg) = 1.000e-003 Temperature (deg C) = 25.000 Electrical balance (eq) = -1.296e-002 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -100.00 Iterations = 4 Total H = 1.110234e+002 Total O = 5.552019e+001 ----------------------------Distribution of species---------------------------- Log Log Log Species Molality Activity Molality Activity Gamma OH- 1.098e-002 1.001e-002 -1.960 -2.000 -0.040 H+ 1.084e-012 1.000e-012 -11.965 -12.000 -0.035 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 -114.089 -114.088 0.001 C(4) 1.000e-003 CO3-2 9.839e-004 6.923e-004 -3.007 -3.160 -0.153 HCO3- 1.612e-005 1.476e-005 -4.793 -4.831 -0.038 CO2 3.314e-011 3.320e-011 -10.480 -10.479 0.001 H(0) 1.413e-035 H2 7.067e-036 7.079e-036 -35.151 -35.150 0.001 O(0) 1.660e-022 O2 8.300e-023 8.314e-023 -22.081 -22.080 0.001 ------------------------------Saturation indices------------------------------- Phase SI log IAP log KT CH4(g) -111.23 -155.16 -43.93 CH4 CO2(g) -9.01 -27.16 -18.15 CO2 H2(g) -32.00 -32.00 0.00 H2 H2O(g) -1.51 -0.00 1.51 H2O O2(g) -19.12 64.00 83.12 O2 ------------------ End of simulation. ------------------ ------------------------------------ Reading input data for simulation 2. ------------------------------------ ----------- End of run. -----------