Input file: H:\ntc\03\Tuesday\barite.pqi Output file: H:\ntc\03\Tuesday\barite.pqo Database file: C:\Program Files\USGS\Phreeqc Interactive 2.7\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 2.7\phreeqc.dat SOLUTION 1 EQUILIBRIUM_PHASES Barite REACTION CH2O 1 1 mmol END ------------------------------------------- Beginning of initial solution calculations. ------------------------------------------- Initial solution 1. -----------------------------Solution composition------------------------------ Elements Molality Moles Pure water ----------------------------Description of solution---------------------------- pH = 7.000 pe = 4.000 Activity of water = 1.000 Ionic strength = 1.001e-007 Mass of water (kg) = 1.000e+000 Total alkalinity (eq/kg) = 1.082e-010 Total carbon (mol/kg) = 0.000e+000 Total CO2 (mol/kg) = 0.000e+000 Temperature (deg C) = 25.000 Electrical balance (eq) = -1.082e-010 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.05 Iterations = 0 Total H = 1.110124e+002 Total O = 5.550622e+001 ----------------------------Distribution of species---------------------------- Log Log Log Species Molality Activity Molality Activity Gamma OH- 1.002e-007 1.001e-007 -6.999 -6.999 -0.000 H+ 1.001e-007 1.000e-007 -7.000 -7.000 -0.000 H2O 5.551e+001 1.000e+000 1.744 0.000 0.000 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 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 ----------------------------------------- Beginning of batch-reaction calculations. ----------------------------------------- Reaction step 1. Using solution 1. Using pure phase assemblage 1. Using reaction 1. Reaction 1. Irreversible reaction defined in simulation 1. 1.000e-003 moles of the following reaction have been added: Relative Reactant moles CH2O 1.00 Relative Element moles C 1.00 H 2.00 O 1.00 -------------------------------Phase assemblage-------------------------------- Moles in assemblage Phase SI log IAP log KT Initial Final Delta Barite 0.00 -9.97 -9.97 1.000e+001 1.000e+001-3.251e-004 -----------------------------Solution composition------------------------------ Elements Molality Moles Ba 3.251e-004 3.251e-004 C 1.000e-003 1.000e-003 S 3.251e-004 3.251e-004 ----------------------------Description of solution---------------------------- pH = 6.619 Charge balance pe = -3.544 Adjusted to redox equilibrium Activity of water = 1.000 Ionic strength = 9.729e-004 Mass of water (kg) = 1.000e+000 Total alkalinity (eq/kg) = 6.491e-004 Total CO2 (mol/kg) = 8.246e-004 Temperature (deg C) = 25.000 Electrical balance (eq) = -1.082e-010 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 21 Total H = 1.110144e+002 Total O = 5.550852e+001 ----------------------------Distribution of species---------------------------- Log Log Log Species Molality Activity Molality Activity Gamma H+ 2.489e-007 2.407e-007 -6.604 -6.619 -0.015 OH- 4.309e-008 4.160e-008 -7.366 -7.381 -0.015 H2O 5.551e+001 1.000e+000 1.744 -0.000 0.000 Ba 3.251e-004 Ba+2 3.235e-004 2.815e-004 -3.490 -3.551 -0.060 BaHCO3+ 1.459e-006 1.409e-006 -5.836 -5.851 -0.015 BaSO4 5.364e-008 5.366e-008 -7.270 -7.270 0.000 BaCO3 1.479e-008 1.480e-008 -7.830 -7.830 0.000 BaOH+ 4.105e-011 3.963e-011 -10.387 -10.402 -0.015 C(-4) 1.754e-004 CH4 1.754e-004 1.755e-004 -3.756 -3.756 0.000 C(4) 8.246e-004 HCO3- 5.405e-004 5.221e-004 -3.267 -3.282 -0.015 CO2 2.824e-004 2.825e-004 -3.549 -3.549 0.000 BaHCO3+ 1.459e-006 1.409e-006 -5.836 -5.851 -0.015 CO3-2 1.169e-007 1.017e-007 -6.932 -6.992 -0.060 BaCO3 1.479e-008 1.480e-008 -7.830 -7.830 0.000 H(0) 1.004e-009 H2 5.019e-010 5.020e-010 -9.299 -9.299 0.000 O(0) 0.000e+000 O2 0.000e+000 0.000e+000 -73.782 -73.781 0.000 S(-2) 3.246e-004 H2S 2.175e-004 2.175e-004 -3.663 -3.662 0.000 HS- 1.071e-004 1.034e-004 -3.970 -3.986 -0.015 S-2 5.963e-011 5.189e-011 -10.225 -10.285 -0.060 S(6) 4.908e-007 SO4-2 4.372e-007 3.803e-007 -6.359 -6.420 -0.060 BaSO4 5.364e-008 5.366e-008 -7.270 -7.270 0.000 HSO4- 9.217e-012 8.898e-012 -11.035 -11.051 -0.015 ------------------------------Saturation indices------------------------------- Phase SI log IAP log KT Barite 0.00 -9.97 -9.97 BaSO4 CH4(g) -0.90 -44.83 -43.93 CH4 CO2(g) -2.08 -20.23 -18.15 CO2 H2(g) -6.15 -6.15 0.00 H2 H2O(g) -1.51 -0.00 1.51 H2O H2S(g) -2.67 -44.25 -41.59 H2S O2(g) -70.82 12.30 83.12 O2 Sulfur -2.40 -38.10 -35.71 S Witherite -1.98 -10.54 -8.56 BaCO3 ------------------ End of simulation. ------------------ ------------------------------------ Reading input data for simulation 2. ------------------------------------ ----------- End of run. -----------