Input file: H:\ntc\03\Tuesday\rain_uz.ec.pqi
Output file: H:\ntc\03\Tuesday\rain_uz.ec.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
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- 3.383e-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+ 5.332e-010 5.000e-010 -9.273 -9.301 -0.028
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 9.756e-014 9.764e-014 -13.011 -13.010 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 4.936e-005 -4.307 -4.307 0.000
CaHSO4+ 9.764e-009 9.143e-009 -8.010 -8.039 -0.029
CaHCO3+ 5.332e-010 5.000e-010 -9.273 -9.301 -0.028
CaOH+ 1.451e-012 1.358e-012 -11.838 -11.867 -0.029
CaCO3 9.756e-014 9.764e-014 -13.011 -13.010 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
KOH 3.666e-015 3.669e-015 -14.436 -14.435 0.000
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 1.920e-004 -3.687 -3.717 -0.029
NH4SO4- 2.525e-006 2.364e-006 -5.598 -5.626 -0.029
NH3 3.458e-009 3.461e-009 -8.461 -8.461 0.000
N(5) 2.370e-004
NO3- 2.370e-004 2.216e-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
NaOH 2.745e-014 2.747e-014 -13.562 -13.561 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 4.936e-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- 2.525e-006 2.364e-006 -5.598 -5.626 -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
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
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
NH3(g) -10.23 0.78 11.01 NH3
O2(g) -0.70 -3.66 -2.96 O2
------------------
End of simulation.
------------------
------------------------------------
Reading input data for simulation 2.
------------------------------------
MIX 1
1 20
REACTION
H2O 55.5
-19 moles
EQUILIBRIUM_PHASES
CO2(g) -3.5
SAVE solution 2
END
-----------------------------------------
Beginning of batch-reaction calculations.
-----------------------------------------
Reaction step 1.
Using mix 1.
Using pure phase assemblage 1.
Using reaction 1.
Mixture 1.
2.000e+001 Solution 1 Rainwater
Reaction 1. Irreversible reaction defined in simulation 2.
-1.900e+001 moles of the following reaction have been added:
Relative
Reactant moles
H2O 55.50
Relative
Element moles
H 111.00
O 55.50
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log KT Initial Final Delta
CO2(g) -3.50 -21.65 -18.15 1.000e+001 1.000e+001 2.077e-004
-----------------------------Solution composition------------------------------
Elements Molality Moles
C 1.063e-005 1.065e-005
Ca 7.663e-003 7.680e-003
Cl 4.709e-003 4.720e-003
K 7.184e-004 7.200e-004
Mg 8.581e-004 8.600e-004
N 8.880e-003 8.900e-003
Na 2.814e-003 2.820e-003
S 2.594e-002 2.600e-002
----------------------------Description of solution----------------------------
pH = 2.578 Charge balance
pe = 17.426 Adjusted to redox equilibrium
Activity of water = 0.999
Ionic strength = 5.806e-002
Mass of water (kg) = 1.002e+000
Total alkalinity (eq/kg) = -5.879e-003
Total CO2 (mol/kg) = 1.063e-005
Temperature (deg C) = 25.000
Electrical balance (eq) = -3.595e-002
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -52.76
Iterations = 26
Total H = 1.112660e+002
Total O = 5.575132e+001
----------------------------Distribution of species----------------------------
Log Log Log
Species Molality Activity Molality Activity Gamma
H+ 3.115e-003 2.641e-003 -2.507 -2.578 -0.072
OH- 4.725e-012 3.787e-012 -11.326 -11.422 -0.096
H2O 5.551e+001 9.992e-001 1.744 -0.000 0.000
C(-4) 0.000e+000
CH4 0.000e+000 0.000e+000 -140.615 -140.609 0.006
C(4) 1.063e-005
CO2 1.062e-005 1.077e-005 -4.974 -4.968 0.006
HCO3- 2.208e-009 1.812e-009 -8.656 -8.742 -0.086
CaHCO3+ 5.516e-011 4.525e-011 -10.258 -10.344 -0.086
MgHCO3+ 5.435e-012 4.418e-012 -11.265 -11.355 -0.090
NaHCO3 2.210e-012 2.240e-012 -11.656 -11.650 0.006
CaCO3 1.044e-016 1.058e-016 -15.981 -15.976 0.006
CO3-2 7.101e-017 3.217e-017 -16.149 -16.493 -0.344
MgCO3 6.312e-018 6.397e-018 -17.200 -17.194 0.006
NaCO3- 1.620e-018 1.317e-018 -17.790 -17.880 -0.090
Ca 7.663e-003
Ca+2 4.305e-003 1.958e-003 -2.366 -2.708 -0.342
CaSO4 3.295e-003 3.339e-003 -2.482 -2.476 0.006
CaHSO4+ 6.356e-005 5.166e-005 -4.197 -4.287 -0.090
CaHCO3+ 5.516e-011 4.525e-011 -10.258 -10.344 -0.086
CaOH+ 1.512e-013 1.229e-013 -12.820 -12.910 -0.090
CaCO3 1.044e-016 1.058e-016 -15.981 -15.976 0.006
Cl 4.709e-003
Cl- 4.709e-003 3.782e-003 -2.327 -2.422 -0.095
H(0) 0.000e+000
H2 0.000e+000 0.000e+000 -43.164 -43.158 0.006
K 7.184e-004
K+ 6.782e-004 5.446e-004 -3.169 -3.264 -0.095
KSO4- 4.024e-005 3.271e-005 -4.395 -4.485 -0.090
KOH 7.049e-016 7.144e-016 -15.152 -15.146 0.006
Mg 8.581e-004
Mg+2 4.460e-004 2.084e-004 -3.351 -3.681 -0.330
MgSO4 4.121e-004 4.176e-004 -3.385 -3.379 0.006
MgHCO3+ 5.435e-012 4.418e-012 -11.265 -11.355 -0.090
MgOH+ 3.522e-013 2.863e-013 -12.453 -12.543 -0.090
MgCO3 6.312e-018 6.397e-018 -17.200 -17.194 0.006
N(-3) 0.000e+000
NH4+ 0.000e+000 0.000e+000 -48.349 -48.452 -0.102
NH4SO4- 0.000e+000 0.000e+000 -49.320 -49.410 -0.090
NH3 0.000e+000 0.000e+000 -55.123 -55.118 0.006
N(0) 3.152e-003
N2 1.576e-003 1.597e-003 -2.802 -2.797 0.006
N(3) 2.091e-014
NO2- 2.091e-014 1.664e-014 -13.680 -13.779 -0.099
N(5) 5.728e-003
NO3- 5.728e-003 4.559e-003 -2.242 -2.341 -0.099
Na 2.814e-003
Na+ 2.698e-003 2.199e-003 -2.569 -2.658 -0.089
NaSO4- 1.159e-004 9.419e-005 -3.936 -4.026 -0.090
NaHCO3 2.210e-012 2.240e-012 -11.656 -11.650 0.006
NaOH 5.422e-015 5.495e-015 -14.266 -14.260 0.006
NaCO3- 1.620e-018 1.317e-018 -17.790 -17.880 -0.090
O(0) 1.700e-006
O2 8.501e-007 8.616e-007 -6.071 -6.065 0.006
S(-2) 0.000e+000
H2S 0.000e+000 0.000e+000 -126.669 -126.663 0.006
HS- 0.000e+000 0.000e+000 -130.931 -131.027 -0.096
S-2 0.000e+000 0.000e+000 -141.015 -141.367 -0.352
S(6) 2.594e-002
SO4-2 1.932e-002 8.547e-003 -1.714 -2.068 -0.354
CaSO4 3.295e-003 3.339e-003 -2.482 -2.476 0.006
HSO4- 2.700e-003 2.195e-003 -2.569 -2.659 -0.090
MgSO4 4.121e-004 4.176e-004 -3.385 -3.379 0.006
NaSO4- 1.159e-004 9.419e-005 -3.936 -4.026 -0.090
CaHSO4+ 6.356e-005 5.166e-005 -4.197 -4.287 -0.090
KSO4- 4.024e-005 3.271e-005 -4.395 -4.485 -0.090
NH4SO4- 0.000e+000 0.000e+000 -49.320 -49.410 -0.090
------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT
Anhydrite -0.42 -4.78 -4.36 CaSO4
Aragonite -10.86 -19.20 -8.34 CaCO3
Calcite -10.72 -19.20 -8.48 CaCO3
CH4(g) -137.75 -181.68 -43.93 CH4
CO2(g) -3.50 -21.65 -18.15 CO2
Dolomite -22.28 -39.37 -17.09 CaMg(CO3)2
Gypsum -0.20 -4.78 -4.58 CaSO4:2H2O
H2(g) -40.01 -40.01 0.00 H2
H2O(g) -1.51 -0.00 1.51 H2O
H2S(g) -125.67 -167.26 -41.59 H2S
Halite -6.66 -5.08 1.58 NaCl
N2(g) 0.46 -2.80 -3.26 N2
NH3(g) -56.89 -61.41 -4.52 NH3
O2(g) -3.10 80.02 83.12 O2
Sulfur -91.54 -127.25 -35.71 S
------------------
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 9.996e+000-4.171e-003
CO2(g) -2.00 -20.15 -18.15 1.000e+001 1.000e+001 1.405e-003
-----------------------------Solution composition------------------------------
Elements Molality Moles
C 2.771e-003 2.777e-003
Ca 1.182e-002 1.185e-002
Cl 4.709e-003 4.720e-003
K 7.184e-004 7.200e-004
Mg 8.581e-004 8.600e-004
N 8.880e-003 8.900e-003
Na 2.814e-003 2.820e-003
S 2.594e-002 2.600e-002
----------------------------Description of solution----------------------------
pH = 7.099 Charge balance
pe = 12.000 Adjusted to redox equilibrium
Activity of water = 0.999
Ionic strength = 6.293e-002
Mass of water (kg) = 1.002e+000
Total alkalinity (eq/kg) = 2.444e-003
Total CO2 (mol/kg) = 2.771e-003
Temperature (deg C) = 25.000
Electrical balance (eq) = -3.595e-002
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -50.43
Iterations = 9
Total H = 1.112660e+002
Total O = 5.576103e+001
----------------------------Distribution of species----------------------------
Log Log Log
Species Molality Activity Molality Activity Gamma
OH- 1.580e-007 1.257e-007 -6.801 -6.901 -0.099
H+ 9.420e-008 7.956e-008 -7.026 -7.099 -0.073
H2O 5.551e+001 9.991e-001 1.744 -0.000 0.000
C(-4) 0.000e+000
CH4 0.000e+000 0.000e+000 -131.876 -131.870 0.006
C(4) 2.771e-003
HCO3- 2.331e-003 1.902e-003 -2.632 -2.721 -0.088
CO2 3.356e-004 3.405e-004 -3.474 -3.468 0.006
CaHCO3+ 8.789e-005 7.170e-005 -4.056 -4.145 -0.088
MgHCO3+ 5.577e-006 4.507e-006 -5.254 -5.346 -0.093
CaCO3 5.485e-006 5.565e-006 -5.261 -5.255 0.006
CO3-2 2.531e-006 1.121e-006 -5.597 -5.950 -0.354
NaHCO3 2.300e-006 2.333e-006 -5.638 -5.632 0.006
MgCO3 2.136e-007 2.167e-007 -6.670 -6.664 0.006
NaCO3- 5.636e-008 4.554e-008 -7.249 -7.342 -0.093
Ca 1.182e-002
Ca+2 6.640e-003 2.955e-003 -2.178 -2.529 -0.352
CaSO4 5.091e-003 5.166e-003 -2.293 -2.287 0.006
CaHCO3+ 8.789e-005 7.170e-005 -4.056 -4.145 -0.088
CaCO3 5.485e-006 5.565e-006 -5.261 -5.255 0.006
CaOH+ 7.621e-009 6.159e-009 -8.118 -8.211 -0.093
CaHSO4+ 2.979e-009 2.407e-009 -8.526 -8.618 -0.093
Cl 4.709e-003
Cl- 4.709e-003 3.756e-003 -2.327 -2.425 -0.098
H(0) 0.000e+000
H2 0.000e+000 0.000e+000 -41.354 -41.348 0.006
K 7.184e-004
K+ 6.772e-004 5.401e-004 -3.169 -3.267 -0.098
KSO4- 4.115e-005 3.325e-005 -4.386 -4.478 -0.093
KOH 2.318e-011 2.352e-011 -10.635 -10.629 0.006
Mg 8.581e-004
Mg+2 4.422e-004 2.025e-004 -3.354 -3.693 -0.339
MgSO4 4.100e-004 4.160e-004 -3.387 -3.381 0.006
MgHCO3+ 5.577e-006 4.507e-006 -5.254 -5.346 -0.093
MgCO3 2.136e-007 2.167e-007 -6.670 -6.664 0.006
MgOH+ 1.143e-008 9.236e-009 -7.942 -8.035 -0.093
N(-3) 0.000e+000
NH4+ 0.000e+000 0.000e+000 -50.152 -50.258 -0.106
NH4SO4- 0.000e+000 0.000e+000 -51.113 -51.205 -0.093
NH3 0.000e+000 0.000e+000 -52.409 -52.403 0.006
N(0) 3.151e-003
N2 1.576e-003 1.599e-003 -2.803 -2.796 0.006
N(3) 1.350e-012
NO2- 1.350e-012 1.066e-012 -11.870 -11.972 -0.102
N(5) 5.729e-003
NO3- 5.729e-003 4.525e-003 -2.242 -2.344 -0.102
Na 2.814e-003
Na+ 2.693e-003 2.182e-003 -2.570 -2.661 -0.091
NaSO4- 1.186e-004 9.580e-005 -3.926 -4.019 -0.093
NaHCO3 2.300e-006 2.333e-006 -5.638 -5.632 0.006
NaCO3- 5.636e-008 4.554e-008 -7.249 -7.342 -0.093
NaOH 1.784e-010 1.810e-010 -9.749 -9.742 0.006
O(0) 4.077e-010
O2 2.039e-010 2.068e-010 -9.691 -9.684 0.006
S(-2) 0.000e+000
HS- 0.000e+000 0.000e+000 -128.199 -128.298 -0.099
H2S 0.000e+000 0.000e+000 -128.462 -128.456 0.006
S-2 0.000e+000 0.000e+000 -133.755 -134.117 -0.362
S(6) 2.594e-002
SO4-2 2.028e-002 8.761e-003 -1.693 -2.057 -0.364
CaSO4 5.091e-003 5.166e-003 -2.293 -2.287 0.006
MgSO4 4.100e-004 4.160e-004 -3.387 -3.381 0.006
NaSO4- 1.186e-004 9.580e-005 -3.926 -4.019 -0.093
KSO4- 4.115e-005 3.325e-005 -4.386 -4.478 -0.093
HSO4- 8.386e-008 6.777e-008 -7.076 -7.169 -0.093
CaHSO4+ 2.979e-009 2.407e-009 -8.526 -8.618 -0.093
NH4SO4- 0.000e+000 0.000e+000 -51.113 -51.205 -0.093
------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT
Anhydrite -0.23 -4.59 -4.36 CaSO4
Aragonite -0.14 -8.48 -8.34 CaCO3
Calcite 0.00 -8.48 -8.48 CaCO3
CH4(g) -129.01 -172.94 -43.93 CH4
CO2(g) -2.00 -20.15 -18.15 CO2
Dolomite -1.03 -18.12 -17.09 CaMg(CO3)2
Gypsum -0.01 -4.59 -4.58 CaSO4:2H2O
H2(g) -38.20 -38.20 0.00 H2
H2O(g) -1.51 -0.00 1.51 H2O
H2S(g) -127.46 -169.05 -41.59 H2S
Halite -6.67 -5.09 1.58 NaCl
N2(g) 0.46 -209.88 -210.34 N2
NH3(g) -54.17 -162.24 -108.06 NH3
O2(g) -6.72 76.40 83.12 O2
Sulfur -95.14 -130.85 -35.71 S
------------------
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+000-5.752e-004
-----------------------------Solution composition------------------------------
Elements Molality Moles
C 4.343e-003 4.352e-003
Ca 1.240e-002 1.243e-002
Cl 4.709e-003 4.720e-003
K 7.184e-004 7.200e-004
Mg 8.581e-004 8.600e-004
N 8.880e-003 8.900e-003
Na 2.814e-003 2.820e-003
S 2.594e-002 2.600e-002
----------------------------Description of solution----------------------------
pH = 6.912 Charge balance
pe = 12.225 Adjusted to redox equilibrium
Activity of water = 0.999
Ionic strength = 6.386e-002
Mass of water (kg) = 1.002e+000
Total alkalinity (eq/kg) = 3.591e-003
Total CO2 (mol/kg) = 4.343e-003
Temperature (deg C) = 25.000
Electrical balance (eq) = -3.595e-002
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -49.38
Iterations = 5
Total H = 1.112660e+002
Total O = 5.576475e+001
----------------------------Distribution of species----------------------------
Log Log Log
Species Molality Activity Molality Activity Gamma
H+ 1.452e-007 1.225e-007 -6.838 -6.912 -0.074
OH- 1.027e-007 8.163e-008 -6.988 -7.088 -0.100
H2O 5.551e+001 9.991e-001 1.744 -0.000 0.000
C(-4) 0.000e+000
CH4 0.000e+000 0.000e+000 -131.821 -131.814 0.006
C(4) 4.343e-003
HCO3- 3.428e-003 2.794e-003 -2.465 -2.554 -0.089
CO2 7.591e-004 7.703e-004 -3.120 -3.113 0.006
CaHCO3+ 1.355e-004 1.104e-004 -3.868 -3.957 -0.089
MgHCO3+ 8.212e-006 6.629e-006 -5.086 -5.179 -0.093
CaCO3 5.484e-006 5.565e-006 -5.261 -5.255 0.006
NaHCO3 3.375e-006 3.425e-006 -5.472 -5.465 0.006
CO3-2 2.425e-006 1.069e-006 -5.615 -5.971 -0.356
MgCO3 2.039e-007 2.069e-007 -6.691 -6.684 0.006
NaCO3- 5.377e-008 4.340e-008 -7.269 -7.362 -0.093
Ca 1.240e-002
Ca+2 6.989e-003 3.098e-003 -2.156 -2.509 -0.353
CaSO4 5.268e-003 5.346e-003 -2.278 -2.272 0.006
CaHCO3+ 1.355e-004 1.104e-004 -3.868 -3.957 -0.089
CaCO3 5.484e-006 5.565e-006 -5.261 -5.255 0.006
CaOH+ 5.193e-009 4.192e-009 -8.285 -8.378 -0.093
CaHSO4+ 4.754e-009 3.838e-009 -8.323 -8.416 -0.093
Cl 4.709e-003
Cl- 4.709e-003 3.751e-003 -2.327 -2.426 -0.099
H(0) 0.000e+000
H2 0.000e+000 0.000e+000 -41.429 -41.423 0.006
K 7.184e-004
K+ 6.777e-004 5.399e-004 -3.169 -3.268 -0.099
KSO4- 4.064e-005 3.281e-005 -4.391 -4.484 -0.093
KOH 1.504e-011 1.526e-011 -10.823 -10.816 0.006
Mg 8.581e-004
Mg+2 4.444e-004 2.028e-004 -3.352 -3.693 -0.341
MgSO4 4.052e-004 4.112e-004 -3.392 -3.386 0.006
MgHCO3+ 8.212e-006 6.629e-006 -5.086 -5.179 -0.093
MgCO3 2.039e-007 2.069e-007 -6.691 -6.684 0.006
MgOH+ 7.438e-009 6.004e-009 -8.129 -8.222 -0.093
N(-3) 0.000e+000
NH4+ 0.000e+000 0.000e+000 -50.076 -50.182 -0.107
NH4SO4- 0.000e+000 0.000e+000 -51.042 -51.135 -0.093
NH3 0.000e+000 0.000e+000 -52.521 -52.515 0.006
N(0) 3.151e-003
N2 1.576e-003 1.599e-003 -2.803 -2.796 0.006
N(3) 1.136e-012
NO2- 1.136e-012 8.962e-013 -11.945 -12.048 -0.103
N(5) 5.729e-003
NO3- 5.729e-003 4.518e-003 -2.242 -2.345 -0.103
Na 2.814e-003
Na+ 2.693e-003 2.180e-003 -2.570 -2.662 -0.092
NaSO4- 1.171e-004 9.449e-005 -3.932 -4.025 -0.093
NaHCO3 3.375e-006 3.425e-006 -5.472 -5.465 0.006
NaCO3- 5.377e-008 4.340e-008 -7.269 -7.362 -0.093
NaOH 1.157e-010 1.174e-010 -9.937 -9.930 0.006
O(0) 5.752e-010
O2 2.876e-010 2.919e-010 -9.541 -9.535 0.006
S(-2) 0.000e+000
HS- 0.000e+000 0.000e+000 -128.315 -128.415 -0.100
H2S 0.000e+000 0.000e+000 -128.392 -128.385 0.006
S-2 0.000e+000 0.000e+000 -134.058 -134.421 -0.364
S(6) 2.594e-002
SO4-2 2.011e-002 8.649e-003 -1.697 -2.063 -0.366
CaSO4 5.268e-003 5.346e-003 -2.278 -2.272 0.006
MgSO4 4.052e-004 4.112e-004 -3.392 -3.386 0.006
NaSO4- 1.171e-004 9.449e-005 -3.932 -4.025 -0.093
KSO4- 4.064e-005 3.281e-005 -4.391 -4.484 -0.093
HSO4- 1.276e-007 1.030e-007 -6.894 -6.987 -0.093
CaHSO4+ 4.754e-009 3.838e-009 -8.323 -8.416 -0.093
NH4SO4- 0.000e+000 0.000e+000 -51.042 -51.135 -0.093
------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT
Anhydrite -0.21 -4.57 -4.36 CaSO4
Aragonite -0.14 -8.48 -8.34 CaCO3
Calcite 0.00 -8.48 -8.48 CaCO3
CH4(g) -128.95 -172.89 -43.93 CH4
CO2(g) -1.65 -19.79 -18.15 CO2
Dolomite -1.05 -18.14 -17.09 CaMg(CO3)2
Gypsum 0.01 -4.57 -4.58 CaSO4:2H2O
H2(g) -38.27 -38.27 0.00 H2
H2O(g) -1.51 -0.00 1.51 H2O
H2S(g) -127.39 -168.98 -41.59 H2S
Halite -6.67 -5.09 1.58 NaCl
N2(g) 0.46 -209.88 -210.34 N2
NH3(g) -54.28 -162.35 -108.06 NH3
O2(g) -6.57 76.55 83.12 O2
Sulfur -94.99 -130.70 -35.71 S
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End of simulation.
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Reading input data for simulation 5.
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End of run.
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