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Darth Vader 2024-05-27 19:32:10 +00:00
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phreeqc3-examples/ex1.out
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@ -13,7 +13,7 @@ Reading data base.
EXCHANGE_SPECIES EXCHANGE_SPECIES
SURFACE_MASTER_SPECIES SURFACE_MASTER_SPECIES
SURFACE_SPECIES SURFACE_SPECIES
CALCULATE_VALUES MEAN_GAMMAS
RATES RATES
END END
------------------------------------ ------------------------------------
@ -121,21 +121,21 @@ Initial solution 1. SEAWATER FROM NORDSTROM AND OTHERS (1979)
pH = 8.220 pH = 8.220
pe = 8.451 pe = 8.451
Specific Conductance (µS/cm, 25°C) = 52855 Specific Conductance (µS/cm, 25°C) = 52856
Density (g/cm³) = 1.02328 Density (g/cm³) = 1.02328
Volume (L) = 1.01278 Volume (L) = 1.01278
Viscosity (mPa s) = 0.96027 Viscosity (mPa s) = 0.96029
Activity of water = 0.981 Activity of water = 0.981
Ionic strength (mol/kgw) = 6.704e-01 Ionic strength (mol/kgw) = 6.704e-01
Mass of water (kg) = 1.000e+00 Mass of water (kg) = 1.000e+00
Total carbon (mol/kg) = 2.240e-03 Total carbon (mol/kg) = 2.238e-03
Total CO2 (mol/kg) = 2.240e-03 Total CO2 (mol/kg) = 2.238e-03
Temperature (°C) = 25.00 Temperature (°C) = 25.00
Electrical balance (eq) = 7.936e-04 Electrical balance (eq) = 7.936e-04
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.07 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.07
Iterations = 7 Iterations = 7
Total H = 1.110148e+02 Total H = 1.110148e+02
Total O = 5.563072e+01 Total O = 5.563071e+01
---------------------------------Redox couples--------------------------------- ---------------------------------Redox couples---------------------------------
@ -149,50 +149,50 @@ Initial solution 1. SEAWATER FROM NORDSTROM AND OTHERS (1979)
Log Log Log mole V Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol Species Molality Activity Molality Activity Gamma cm³/mol
OH- 2.703e-06 1.647e-06 -5.568 -5.783 -0.215 -2.64 OH- 2.703e-06 1.647e-06 -5.568 -5.783 -0.215 -2.63
H+ 7.981e-09 6.026e-09 -8.098 -8.220 -0.122 0.00 H+ 7.981e-09 6.026e-09 -8.098 -8.220 -0.122 0.00
H2O 5.551e+01 9.806e-01 1.744 -0.008 0.000 18.07 H2O 5.551e+01 9.806e-01 1.744 -0.008 0.000 18.07
C(4) 2.240e-03 C(4) 2.238e-03
HCO3- 1.520e-03 1.027e-03 -2.818 -2.988 -0.170 25.99 HCO3- 1.541e-03 1.041e-03 -2.812 -2.983 -0.170 25.99
MgHCO3+ 2.745e-04 1.727e-04 -3.562 -3.763 -0.201 5.82 MgHCO3+ 2.782e-04 1.751e-04 -3.556 -3.757 -0.201 5.82
NaHCO3 2.221e-04 3.024e-04 -3.653 -3.519 0.134 31.73 NaHCO3 2.252e-04 3.066e-04 -3.647 -3.513 0.134 31.73
MgCO3 9.394e-05 1.096e-04 -4.027 -3.960 0.067 -17.09 MgCO3 9.523e-05 1.111e-04 -4.021 -3.954 0.067 -17.09
CaHCO3+ 4.703e-05 3.256e-05 -4.328 -4.487 -0.160 9.96 CO3-2 3.888e-05 8.103e-06 -4.410 -5.091 -0.681 -0.52
CO3-2 3.835e-05 7.992e-06 -4.416 -5.097 -0.681 -0.52 CaCO3 2.908e-05 3.393e-05 -4.536 -4.469 0.067 -14.60
CaCO3 2.859e-05 3.336e-05 -4.544 -4.477 0.067 -14.60 CaHCO3+ 1.446e-05 1.001e-05 -4.840 -5.000 -0.160 122.92
CO2 1.281e-05 1.419e-05 -4.892 -4.848 0.044 34.43 CO2 1.299e-05 1.438e-05 -4.886 -4.842 0.044 34.43
KHCO3 2.929e-06 2.972e-06 -5.533 -5.527 0.006 41.03 KHCO3 2.969e-06 3.013e-06 -5.527 -5.521 0.006 41.03
UO2(CO3)3-4 1.257e-08 1.167e-10 -7.901 -9.933 -2.032 (0) UO2(CO3)3-4 1.259e-08 1.169e-10 -7.900 -9.932 -2.032 (0)
UO2(CO3)2-2 1.788e-09 5.550e-10 -8.748 -9.256 -0.508 (0) UO2(CO3)2-2 1.767e-09 5.484e-10 -8.753 -9.261 -0.508 (0)
MnCO3 2.657e-10 3.100e-10 -9.576 -9.509 0.067 (0) MnCO3 2.690e-10 3.139e-10 -9.570 -9.503 0.067 (0)
MnHCO3+ 6.735e-11 4.469e-11 -10.172 -10.350 -0.178 (0) MnHCO3+ 6.820e-11 4.526e-11 -10.166 -10.344 -0.178 (0)
UO2CO3 7.271e-12 8.484e-12 -11.138 -11.071 0.067 (0) UO2CO3 7.086e-12 8.269e-12 -11.150 -11.083 0.067 (0)
(CO2)2 3.166e-12 3.694e-12 -11.500 -11.432 0.067 68.87 (CO2)2 3.254e-12 3.797e-12 -11.488 -11.421 0.067 68.87
FeCO3 1.840e-20 2.147e-20 -19.735 -19.668 0.067 (0) FeCO3 1.866e-20 2.177e-20 -19.729 -19.662 0.067 (0)
FeHCO3+ 1.541e-20 1.150e-20 -19.812 -19.939 -0.127 (0) FeHCO3+ 1.562e-20 1.166e-20 -19.806 -19.933 -0.127 (0)
Ca 1.066e-02 Ca 1.066e-02
Ca+2 9.933e-03 2.485e-03 -2.003 -2.605 -0.602 -16.70 Ca+2 9.964e-03 2.493e-03 -2.002 -2.603 -0.602 -16.70
CaSO4 6.518e-04 7.606e-04 -3.186 -3.119 0.067 7.50 CaSO4 6.537e-04 7.628e-04 -3.185 -3.118 0.067 7.50
CaHCO3+ 4.703e-05 3.256e-05 -4.328 -4.487 -0.160 9.96 CaCO3 2.908e-05 3.393e-05 -4.536 -4.469 0.067 -14.60
CaCO3 2.859e-05 3.336e-05 -4.544 -4.477 0.067 -14.60 CaHCO3+ 1.446e-05 1.001e-05 -4.840 -5.000 -0.160 122.92
CaOH+ 8.992e-08 6.712e-08 -7.046 -7.173 -0.127 (0) CaOH+ 9.020e-08 6.732e-08 -7.045 -7.172 -0.127 (0)
CaHSO4+ 4.036e-11 3.012e-11 -10.394 -10.521 -0.127 (0) CaHSO4+ 4.048e-11 3.021e-11 -10.393 -10.520 -0.127 (0)
Cl 5.657e-01 Cl 5.657e-01
Cl- 5.657e-01 3.570e-01 -0.247 -0.447 -0.200 18.79 Cl- 5.657e-01 3.570e-01 -0.247 -0.447 -0.200 18.79
MnCl+ 1.070e-09 7.103e-10 -8.970 -9.149 -0.178 -2.79 MnCl+ 1.069e-09 7.094e-10 -8.971 -9.149 -0.178 -2.79
HCl 3.842e-10 7.411e-10 -9.415 -9.130 0.285 (0) HCl 3.842e-10 7.411e-10 -9.415 -9.130 0.285 (0)
MnCl2 9.486e-11 1.107e-10 -10.023 -9.956 0.067 85.89 MnCl2 9.474e-11 1.106e-10 -10.023 -9.956 0.067 85.89
MnCl3- 1.640e-11 1.089e-11 -10.785 -10.963 -0.178 45.78 MnCl3- 1.638e-11 1.087e-11 -10.786 -10.964 -0.178 45.78
FeCl+2 1.515e-18 2.938e-19 -17.820 -18.532 -0.712 (0) FeCl+2 1.515e-18 2.938e-19 -17.820 -18.532 -0.712 (0)
FeCl2+ 7.061e-19 4.686e-19 -18.151 -18.329 -0.178 (0) FeCl2+ 7.061e-19 4.686e-19 -18.151 -18.329 -0.178 (0)
FeCl+ 7.395e-20 5.520e-20 -19.131 -19.258 -0.127 (0) FeCl+ 7.395e-20 5.520e-20 -19.131 -19.258 -0.127 (0)
FeCl3 1.434e-20 1.673e-20 -19.844 -19.777 0.067 (0) FeCl3 1.434e-20 1.673e-20 -19.844 -19.777 0.067 (0)
Fe(2) 6.337e-19 Fe(2) 6.342e-19
Fe+2 4.878e-19 1.120e-19 -18.312 -18.951 -0.639 -20.72 Fe+2 4.879e-19 1.120e-19 -18.312 -18.951 -0.639 -20.72
FeCl+ 7.395e-20 5.520e-20 -19.131 -19.258 -0.127 (0) FeCl+ 7.395e-20 5.520e-20 -19.131 -19.258 -0.127 (0)
FeSO4 2.938e-20 3.428e-20 -19.532 -19.465 0.067 18.97 FeSO4 2.937e-20 3.428e-20 -19.532 -19.465 0.067 18.97
FeCO3 1.840e-20 2.147e-20 -19.735 -19.668 0.067 (0) FeCO3 1.866e-20 2.177e-20 -19.729 -19.662 0.067 (0)
FeHCO3+ 1.541e-20 1.150e-20 -19.812 -19.939 -0.127 (0) FeHCO3+ 1.562e-20 1.166e-20 -19.806 -19.933 -0.127 (0)
FeOH+ 8.686e-21 5.764e-21 -20.061 -20.239 -0.178 (0) FeOH+ 8.686e-21 5.764e-21 -20.061 -20.239 -0.178 (0)
Fe(OH)2 6.842e-24 7.984e-24 -23.165 -23.098 0.067 (0) Fe(OH)2 6.842e-24 7.984e-24 -23.165 -23.098 0.067 (0)
Fe(OH)3- 7.275e-26 4.828e-26 -25.138 -25.316 -0.178 (0) Fe(OH)3- 7.275e-26 4.828e-26 -25.138 -25.316 -0.178 (0)
@ -205,7 +205,7 @@ Fe(3) 3.711e-08
FeCl+2 1.515e-18 2.938e-19 -17.820 -18.532 -0.712 (0) FeCl+2 1.515e-18 2.938e-19 -17.820 -18.532 -0.712 (0)
FeSO4+ 7.749e-19 5.142e-19 -18.111 -18.289 -0.178 (0) FeSO4+ 7.749e-19 5.142e-19 -18.111 -18.289 -0.178 (0)
FeCl2+ 7.061e-19 4.686e-19 -18.151 -18.329 -0.178 (0) FeCl2+ 7.061e-19 4.686e-19 -18.151 -18.329 -0.178 (0)
Fe+3 3.420e-19 2.725e-20 -18.466 -19.565 -1.099 (0) Fe+3 3.421e-19 2.725e-20 -18.466 -19.565 -1.099 (0)
Fe(SO4)2- 2.594e-20 1.936e-20 -19.586 -19.713 -0.127 (0) Fe(SO4)2- 2.594e-20 1.936e-20 -19.586 -19.713 -0.127 (0)
FeCl3 1.434e-20 1.673e-20 -19.844 -19.777 0.067 (0) FeCl3 1.434e-20 1.673e-20 -19.844 -19.777 0.067 (0)
Fe2(OH)2+4 2.378e-24 2.207e-26 -23.624 -25.656 -2.032 (0) Fe2(OH)2+4 2.378e-24 2.207e-26 -23.624 -25.656 -2.032 (0)
@ -215,55 +215,55 @@ H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -44.469 -44.402 0.067 28.61 H2 0.000e+00 0.000e+00 -44.469 -44.402 0.067 28.61
K 1.058e-02 K 1.058e-02
K+ 1.039e-02 6.478e-03 -1.983 -2.189 -0.205 9.66 K+ 1.039e-02 6.478e-03 -1.983 -2.189 -0.205 9.66
KSO4- 1.873e-04 1.697e-04 -3.728 -3.770 -0.043 11.35 KSO4- 1.873e-04 1.696e-04 -3.728 -3.770 -0.043 11.34
KHCO3 2.929e-06 2.972e-06 -5.533 -5.527 0.006 41.03 KHCO3 2.969e-06 3.013e-06 -5.527 -5.521 0.006 41.03
Mg 5.507e-02 Mg 5.507e-02
Mg+2 4.980e-02 1.437e-02 -1.303 -1.842 -0.540 -20.42 Mg+2 4.979e-02 1.437e-02 -1.303 -1.842 -0.540 -20.42
MgSO4 4.757e-03 6.477e-03 -2.323 -2.189 0.134 -7.92 MgSO4 4.756e-03 6.476e-03 -2.323 -2.189 0.134 -7.92
MgHCO3+ 2.745e-04 1.727e-04 -3.562 -3.763 -0.201 5.82 MgHCO3+ 2.782e-04 1.751e-04 -3.556 -3.757 -0.201 5.82
Mg(SO4)2-2 1.297e-04 3.672e-05 -3.887 -4.435 -0.548 32.91 Mg(SO4)2-2 1.296e-04 3.671e-05 -3.887 -4.435 -0.548 32.91
MgCO3 9.394e-05 1.096e-04 -4.027 -3.960 0.067 -17.09 MgCO3 9.523e-05 1.111e-04 -4.021 -3.954 0.067 -17.09
MgOH+ 1.205e-05 8.493e-06 -4.919 -5.071 -0.152 (0) MgOH+ 1.205e-05 8.493e-06 -4.919 -5.071 -0.152 (0)
Mn(2) 3.773e-09 Mn(2) 3.773e-09
Mn+2 2.127e-09 4.883e-10 -8.672 -9.311 -0.639 -16.37 Mn+2 2.125e-09 4.877e-10 -8.673 -9.312 -0.639 -16.37
MnCl+ 1.070e-09 7.103e-10 -8.970 -9.149 -0.178 -2.79 MnCl+ 1.069e-09 7.094e-10 -8.971 -9.149 -0.178 -2.79
MnCO3 2.657e-10 3.100e-10 -9.576 -9.509 0.067 (0) MnCO3 2.690e-10 3.139e-10 -9.570 -9.503 0.067 (0)
MnSO4 1.281e-10 1.495e-10 -9.893 -9.825 0.067 22.54 MnSO4 1.279e-10 1.493e-10 -9.893 -9.826 0.067 22.54
MnCl2 9.486e-11 1.107e-10 -10.023 -9.956 0.067 85.89 MnCl2 9.474e-11 1.106e-10 -10.023 -9.956 0.067 85.89
MnHCO3+ 6.735e-11 4.469e-11 -10.172 -10.350 -0.178 (0) MnHCO3+ 6.820e-11 4.526e-11 -10.166 -10.344 -0.178 (0)
MnCl3- 1.640e-11 1.089e-11 -10.785 -10.963 -0.178 45.78 MnCl3- 1.638e-11 1.087e-11 -10.786 -10.964 -0.178 45.78
MnOH+ 3.078e-12 2.043e-12 -11.512 -11.690 -0.178 (0) MnOH+ 3.075e-12 2.040e-12 -11.512 -11.690 -0.178 (0)
Mn(OH)3- 5.027e-20 3.336e-20 -19.299 -19.477 -0.178 (0) Mn(OH)3- 5.021e-20 3.332e-20 -19.299 -19.477 -0.178 (0)
Mn(NO3)2 1.350e-20 1.576e-20 -19.870 -19.802 0.067 41.04 Mn(NO3)2 1.349e-20 1.574e-20 -19.870 -19.803 0.067 41.04
Mn(3) 5.351e-26 Mn(3) 5.345e-26
Mn+3 5.351e-26 4.263e-27 -25.272 -26.370 -1.099 (0) Mn+3 5.345e-26 4.258e-27 -25.272 -26.371 -1.099 (0)
N(-3) 1.724e-06 N(-3) 1.724e-06
NH4+ 1.618e-06 9.103e-07 -5.791 -6.041 -0.250 18.48 NH4+ 1.618e-06 9.103e-07 -5.791 -6.041 -0.250 18.48
NH3 7.378e-08 8.610e-08 -7.132 -7.065 0.067 24.42 NH3 7.378e-08 8.610e-08 -7.132 -7.065 0.067 24.42
NH4SO4- 3.206e-08 2.000e-08 -7.494 -7.699 -0.205 18.66 NH4SO4- 3.206e-08 2.000e-08 -7.494 -7.699 -0.205 18.66
N(5) 4.847e-06 N(5) 4.847e-06
NO3- 4.847e-06 2.847e-06 -5.314 -5.546 -0.231 30.29 NO3- 4.847e-06 2.847e-06 -5.314 -5.546 -0.231 30.29
Mn(NO3)2 1.350e-20 1.576e-20 -19.870 -19.802 0.067 41.04 Mn(NO3)2 1.349e-20 1.574e-20 -19.870 -19.803 0.067 41.04
Na 4.854e-01 Na 4.854e-01
Na+ 4.712e-01 3.381e-01 -0.327 -0.471 -0.144 -0.51 Na+ 4.712e-01 3.381e-01 -0.327 -0.471 -0.144 -0.51
NaSO4- 1.396e-02 9.474e-03 -1.855 -2.023 -0.168 8.22 NaSO4- 1.396e-02 9.473e-03 -1.855 -2.024 -0.168 8.22
NaHCO3 2.221e-04 3.024e-04 -3.653 -3.519 0.134 31.73 NaHCO3 2.252e-04 3.066e-04 -3.647 -3.513 0.134 31.73
NaOH 4.773e-17 5.570e-17 -16.321 -16.254 0.067 (0) NaOH 4.773e-17 5.570e-17 -16.321 -16.254 0.067 (0)
O(0) 4.381e-04 O(0) 4.381e-04
O2 2.190e-04 2.556e-04 -3.659 -3.592 0.067 30.40 O2 2.190e-04 2.556e-04 -3.659 -3.592 0.067 30.40
S(6) 2.926e-02 S(6) 2.926e-02
NaSO4- 1.396e-02 9.474e-03 -1.855 -2.023 -0.168 8.22 NaSO4- 1.396e-02 9.473e-03 -1.855 -2.024 -0.168 8.22
SO4-2 9.440e-03 1.721e-03 -2.025 -2.764 -0.739 38.41 SO4-2 9.440e-03 1.721e-03 -2.025 -2.764 -0.739 38.42
MgSO4 4.757e-03 6.477e-03 -2.323 -2.189 0.134 -7.92 MgSO4 4.756e-03 6.476e-03 -2.323 -2.189 0.134 -7.92
CaSO4 6.518e-04 7.606e-04 -3.186 -3.119 0.067 7.50 CaSO4 6.537e-04 7.628e-04 -3.185 -3.118 0.067 7.50
KSO4- 1.873e-04 1.697e-04 -3.728 -3.770 -0.043 11.35 KSO4- 1.873e-04 1.696e-04 -3.728 -3.770 -0.043 11.34
Mg(SO4)2-2 1.297e-04 3.672e-05 -3.887 -4.435 -0.548 32.91 Mg(SO4)2-2 1.296e-04 3.671e-05 -3.887 -4.435 -0.548 32.91
NH4SO4- 3.206e-08 2.000e-08 -7.494 -7.699 -0.205 18.66 NH4SO4- 3.206e-08 2.000e-08 -7.494 -7.699 -0.205 18.66
HSO4- 1.351e-09 1.008e-09 -8.869 -8.996 -0.127 40.96 HSO4- 1.351e-09 1.008e-09 -8.869 -8.996 -0.127 40.96
MnSO4 1.281e-10 1.495e-10 -9.893 -9.825 0.067 22.54 MnSO4 1.279e-10 1.493e-10 -9.893 -9.826 0.067 22.54
CaHSO4+ 4.036e-11 3.012e-11 -10.394 -10.521 -0.127 (0) CaHSO4+ 4.048e-11 3.021e-11 -10.393 -10.520 -0.127 (0)
FeSO4+ 7.749e-19 5.142e-19 -18.111 -18.289 -0.178 (0) FeSO4+ 7.749e-19 5.142e-19 -18.111 -18.289 -0.178 (0)
FeSO4 2.938e-20 3.428e-20 -19.532 -19.465 0.067 18.97 FeSO4 2.937e-20 3.428e-20 -19.532 -19.465 0.067 18.97
Fe(SO4)2- 2.594e-20 1.936e-20 -19.586 -19.713 -0.127 (0) Fe(SO4)2- 2.594e-20 1.936e-20 -19.586 -19.713 -0.127 (0)
FeHSO4+2 2.673e-26 8.297e-27 -25.573 -26.081 -0.508 (0) FeHSO4+2 2.673e-26 8.297e-27 -25.573 -26.081 -0.508 (0)
FeHSO4+ 1.819e-27 1.358e-27 -26.740 -26.867 -0.127 (0) FeHSO4+ 1.819e-27 1.358e-27 -26.740 -26.867 -0.127 (0)
@ -271,37 +271,37 @@ Si 7.382e-05
H4SiO4 7.062e-05 8.241e-05 -4.151 -4.084 0.067 52.08 H4SiO4 7.062e-05 8.241e-05 -4.151 -4.084 0.067 52.08
H3SiO4- 3.205e-06 2.017e-06 -5.494 -5.695 -0.201 28.72 H3SiO4- 3.205e-06 2.017e-06 -5.494 -5.695 -0.201 28.72
H2SiO4-2 1.092e-10 2.276e-11 -9.962 -10.643 -0.681 (0) H2SiO4-2 1.092e-10 2.276e-11 -9.962 -10.643 -0.681 (0)
U(4) 1.010e-21 U(4) 9.706e-22
U(OH)5- 1.009e-21 7.535e-22 -20.996 -21.123 -0.127 (0) U(OH)5- 9.704e-22 7.243e-22 -21.013 -21.140 -0.127 (0)
U(OH)4 1.613e-25 1.882e-25 -24.792 -24.725 0.067 (0) U(OH)4 1.550e-25 1.809e-25 -24.810 -24.743 0.067 (0)
U+4 0.000e+00 0.000e+00 -47.001 -49.033 -2.032 (0) U+4 0.000e+00 0.000e+00 -47.018 -49.051 -2.032 (0)
U(5) 1.582e-18 U(5) 1.521e-18
UO2+ 1.582e-18 1.181e-18 -17.801 -17.928 -0.127 (0) UO2+ 1.521e-18 1.135e-18 -17.818 -17.945 -0.127 (0)
U(6) 1.437e-08 U(6) 1.437e-08
UO2(CO3)3-4 1.257e-08 1.167e-10 -7.901 -9.933 -2.032 (0) UO2(CO3)3-4 1.259e-08 1.169e-10 -7.900 -9.932 -2.032 (0)
UO2(CO3)2-2 1.788e-09 5.550e-10 -8.748 -9.256 -0.508 (0) UO2(CO3)2-2 1.767e-09 5.484e-10 -8.753 -9.261 -0.508 (0)
UO2CO3 7.271e-12 8.484e-12 -11.138 -11.071 0.067 (0) UO2CO3 7.086e-12 8.269e-12 -11.150 -11.083 0.067 (0)
UO2OH+ 3.300e-14 2.463e-14 -13.481 -13.609 -0.127 (0) UO2OH+ 3.172e-14 2.368e-14 -13.499 -13.626 -0.127 (0)
UO2+2 2.952e-16 9.161e-17 -15.530 -16.038 -0.508 (0) UO2+2 2.837e-16 8.807e-17 -15.547 -16.055 -0.508 (0)
(UO2)2(OH)2+2 1.695e-21 5.259e-22 -20.771 -21.279 -0.508 (0) (UO2)2(OH)2+2 1.566e-21 4.860e-22 -20.805 -21.313 -0.508 (0)
(UO2)3(OH)5+ 2.688e-23 2.006e-23 -22.571 -22.698 -0.127 (0) (UO2)3(OH)5+ 2.388e-23 1.782e-23 -22.622 -22.749 -0.127 (0)
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(298 K, 1 atm) Phase SI** log IAP log K(298 K, 1 atm)
Anhydrite -1.09 -5.37 -4.28 CaSO4 Anhydrite -1.09 -5.37 -4.28 CaSO4
Aragonite 0.63 -7.70 -8.34 CaCO3 Aragonite 0.64 -7.69 -8.34 CaCO3
Arcanite -5.26 -7.14 -1.88 K2SO4 Arcanite -5.26 -7.14 -1.88 K2SO4
Calcite 0.78 -7.70 -8.48 CaCO3 Calcite 0.79 -7.69 -8.48 CaCO3
Chalcedony -0.52 -4.07 -3.55 SiO2 Chalcedony -0.52 -4.07 -3.55 SiO2
Chrysotile 3.42 35.62 32.20 Mg3Si2O5(OH)4 Chrysotile 3.41 35.62 32.20 Mg3Si2O5(OH)4
CO2(g) -3.38 -4.85 -1.47 CO2 CO2(g) -3.37 -4.84 -1.47 CO2
Dolomite 2.44 -14.64 -17.08 CaMg(CO3)2 Dolomite 2.46 -14.63 -17.08 CaMg(CO3)2
Epsomite -2.93 -4.67 -1.74 MgSO4:7H2O Epsomite -2.93 -4.67 -1.74 MgSO4:7H2O
Fe(OH)3(a) 0.18 5.07 4.89 Fe(OH)3 Fe(OH)3(a) 0.18 5.07 4.89 Fe(OH)3
Goethite 6.08 5.08 -1.00 FeOOH Goethite 6.08 5.08 -1.00 FeOOH
Gypsum -0.80 -5.39 -4.58 CaSO4:2H2O Gypsum -0.80 -5.38 -4.58 CaSO4:2H2O
H2(g) -41.30 -44.40 -3.10 H2 H2(g) -41.30 -44.40 -3.10 H2
H2O(g) -1.51 -0.01 1.50 H2O H2O(g) -1.51 -0.01 1.50 H2O
Halite -2.49 -0.92 1.57 NaCl Halite -2.49 -0.92 1.57 NaCl
@ -316,17 +316,17 @@ U(6) 1.437e-08
NH3(g) -8.86 -7.07 1.80 NH3 NH3(g) -8.86 -7.07 1.80 NH3
O2(g) -0.70 -3.59 -2.89 O2 Pressure 0.2 atm, phi 1.000 O2(g) -0.70 -3.59 -2.89 O2 Pressure 0.2 atm, phi 1.000
Pyrochroite -8.09 7.11 15.20 Mn(OH)2 Pyrochroite -8.09 7.11 15.20 Mn(OH)2
Pyrolusite 6.98 48.36 41.38 MnO2:H2O Pyrolusite 6.97 48.35 41.38 MnO2:H2O
Quartz -0.09 -4.07 -3.98 SiO2 Quartz -0.09 -4.07 -3.98 SiO2
Rhodochrosite -3.28 -14.41 -11.13 MnCO3 Rhodochrosite -3.27 -14.40 -11.13 MnCO3
Sepiolite 1.19 16.95 15.76 Mg2Si3O7.5OH:3H2O Sepiolite 1.19 16.95 15.76 Mg2Si3O7.5OH:3H2O
Sepiolite(d) -1.71 16.95 18.66 Mg2Si3O7.5OH:3H2O Sepiolite(d) -1.71 16.95 18.66 Mg2Si3O7.5OH:3H2O
Siderite -13.16 -24.05 -10.89 FeCO3 Siderite -13.15 -24.04 -10.89 FeCO3
SiO2(a) -1.36 -4.07 -2.71 SiO2 SiO2(a) -1.36 -4.07 -2.71 SiO2
Sylvite -3.54 -2.64 0.90 KCl Sylvite -3.54 -2.64 0.90 KCl
Talc 6.09 27.49 21.40 Mg3Si4O10(OH)2 Talc 6.09 27.49 21.40 Mg3Si4O10(OH)2
Thenardite -3.41 -3.71 -0.30 Na2SO4 Thenardite -3.41 -3.71 -0.30 Na2SO4
Uraninite -12.68 -16.17 -3.49 UO2 Uraninite -12.70 -16.19 -3.49 UO2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1. For ideal gases, phi = 1.

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@ -13,7 +13,7 @@ Reading data base.
EXCHANGE_SPECIES EXCHANGE_SPECIES
SURFACE_MASTER_SPECIES SURFACE_MASTER_SPECIES
SURFACE_SPECIES SURFACE_SPECIES
CALCULATE_VALUES MEAN_GAMMAS
RATES RATES
END END
------------------------------------ ------------------------------------

2
phreeqc3-examples/ex12.out
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@ -13,7 +13,7 @@ Reading data base.
EXCHANGE_SPECIES EXCHANGE_SPECIES
SURFACE_MASTER_SPECIES SURFACE_MASTER_SPECIES
SURFACE_SPECIES SURFACE_SPECIES
CALCULATE_VALUES MEAN_GAMMAS
RATES RATES
END END
------------------------------------ ------------------------------------

2
phreeqc3-examples/ex12a.out
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@ -13,7 +13,7 @@ Reading data base.
EXCHANGE_SPECIES EXCHANGE_SPECIES
SURFACE_MASTER_SPECIES SURFACE_MASTER_SPECIES
SURFACE_SPECIES SURFACE_SPECIES
CALCULATE_VALUES MEAN_GAMMAS
RATES RATES
END END
------------------------------------ ------------------------------------

2
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@ -13,7 +13,7 @@ Reading data base.
EXCHANGE_SPECIES EXCHANGE_SPECIES
SURFACE_MASTER_SPECIES SURFACE_MASTER_SPECIES
SURFACE_SPECIES SURFACE_SPECIES
CALCULATE_VALUES MEAN_GAMMAS
RATES RATES
END END
------------------------------------ ------------------------------------

2
phreeqc3-examples/ex13ac.out
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@ -13,7 +13,7 @@ Reading data base.
EXCHANGE_SPECIES EXCHANGE_SPECIES
SURFACE_MASTER_SPECIES SURFACE_MASTER_SPECIES
SURFACE_SPECIES SURFACE_SPECIES
CALCULATE_VALUES MEAN_GAMMAS
RATES RATES
END END
------------------------------------ ------------------------------------

2
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@ -13,7 +13,7 @@ Reading data base.
EXCHANGE_SPECIES EXCHANGE_SPECIES
SURFACE_MASTER_SPECIES SURFACE_MASTER_SPECIES
SURFACE_SPECIES SURFACE_SPECIES
CALCULATE_VALUES MEAN_GAMMAS
RATES RATES
END END
------------------------------------ ------------------------------------

2
phreeqc3-examples/ex13c.out
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@ -13,7 +13,7 @@ Reading data base.
EXCHANGE_SPECIES EXCHANGE_SPECIES
SURFACE_MASTER_SPECIES SURFACE_MASTER_SPECIES
SURFACE_SPECIES SURFACE_SPECIES
CALCULATE_VALUES MEAN_GAMMAS
RATES RATES
END END
------------------------------------ ------------------------------------

530
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@ -13,7 +13,7 @@ Reading data base.
EXCHANGE_SPECIES EXCHANGE_SPECIES
SURFACE_MASTER_SPECIES SURFACE_MASTER_SPECIES
SURFACE_SPECIES SURFACE_SPECIES
CALCULATE_VALUES MEAN_GAMMAS
RATES RATES
END END
------------------------------------ ------------------------------------
@ -88,21 +88,21 @@ Initial solution 1. Brine
pH = 5.713 pH = 5.713
pe = 14.962 Equilibrium with O2(g) pe = 14.962 Equilibrium with O2(g)
Specific Conductance (µS/cm, 25°C) = 243034 Specific Conductance (µS/cm, 25°C) = 243000
Density (g/cm³) = 1.21640 Density (g/cm³) = 1.21629
Volume (L) = 1.13690 Volume (L) = 1.13700
Viscosity (mPa s) = 1.95436 Viscosity (mPa s) = 1.95441
Activity of water = 0.785 Activity of water = 0.785
Ionic strength (mol/kgw) = 7.269e+00 Ionic strength (mol/kgw) = 7.270e+00
Mass of water (kg) = 1.000e+00 Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 3.726e-03 Total alkalinity (eq/kg) = 3.608e-03
Total CO2 (mol/kg) = 3.960e-03 Total CO2 (mol/kg) = 3.960e-03
Temperature (°C) = 25.00 Temperature (°C) = 25.00
Electrical balance (eq) = -2.013e-15 Electrical balance (eq) = -3.249e-13
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 11 Iterations = 14
Total H = 1.110162e+02 Total H = 1.110160e+02
Total O = 5.553686e+01 Total O = 5.553674e+01
----------------------------Distribution of species---------------------------- ----------------------------Distribution of species----------------------------
@ -114,79 +114,79 @@ Initial solution 1. Brine
H2O 5.551e+01 7.846e-01 1.744 -0.105 0.000 18.07 H2O 5.551e+01 7.846e-01 1.744 -0.105 0.000 18.07
As 2.500e-08 As 2.500e-08
H2AsO4- 2.498e-08 1.374e-07 -7.602 -6.862 0.740 (0) H2AsO4- 2.498e-08 1.374e-07 -7.602 -6.862 0.740 (0)
H3AsO4 8.668e-12 4.622e-11 -11.062 -10.335 0.727 (0) H3AsO4 8.669e-12 4.623e-11 -11.062 -10.335 0.727 (0)
HAsO4-2 8.511e-12 7.778e-09 -11.070 -8.109 2.961 (0) HAsO4-2 8.507e-12 7.779e-09 -11.070 -8.109 2.961 (0)
AsO4-3 2.766e-21 1.270e-14 -20.558 -13.896 6.662 (0) AsO4-3 2.763e-21 1.270e-14 -20.559 -13.896 6.663 (0)
C(-4) 0.000e+00 C(-4) 0.000e+00
CH4 0.000e+00 0.000e+00 -144.675 -143.948 0.727 35.46 CH4 0.000e+00 0.000e+00 -144.496 -143.769 0.727 35.46
C(4) 3.960e-03 C(4) 3.960e-03
CaHCO3+ 1.902e-03 1.152e-03 -2.721 -2.939 -0.218 10.08 MgHCO3+ 2.344e-03 1.167e-03 -2.630 -2.933 -0.303 6.01
MgHCO3+ 1.562e-03 7.781e-04 -2.806 -3.109 -0.303 6.01 CaHCO3+ 8.690e-04 5.263e-04 -3.061 -3.279 -0.218 123.05
CO2 2.334e-04 7.045e-04 -3.632 -3.152 0.480 34.43 CO2 3.518e-04 1.062e-03 -3.454 -2.974 0.480 34.43
HCO3- 2.195e-04 1.270e-04 -3.659 -3.896 -0.238 37.32 HCO3- 3.309e-04 1.914e-04 -3.480 -3.718 -0.238 37.32
NaHCO3 4.169e-05 1.186e-03 -4.380 -2.926 1.454 31.73 NaHCO3 6.284e-05 1.787e-03 -4.202 -2.748 1.454 31.73
CaCO3 6.889e-07 3.674e-06 -6.162 -5.435 0.727 -14.60 CaCO3 1.041e-06 5.551e-06 -5.983 -5.256 0.727 -14.60
MgCO3 2.882e-07 1.537e-06 -6.540 -5.813 0.727 -17.09 MgCO3 4.324e-07 2.306e-06 -6.364 -5.637 0.727 -17.09
CO3-2 2.748e-08 3.075e-09 -7.561 -8.512 -0.951 10.19 CO3-2 4.143e-08 4.635e-09 -7.383 -8.334 -0.951 10.19
(CO2)2 1.709e-09 9.111e-09 -8.767 -8.040 0.727 68.87 (CO2)2 3.882e-09 2.070e-08 -8.411 -7.684 0.727 68.87
Ca 4.655e-01 Ca 4.655e-01
Ca+2 4.633e-01 7.112e-01 -0.334 -0.148 0.186 -13.79 Ca+2 4.643e-01 7.129e-01 -0.333 -0.147 0.186 -13.79
CaHCO3+ 1.902e-03 1.152e-03 -2.721 -2.939 -0.218 10.08 CaHCO3+ 8.690e-04 5.263e-04 -3.061 -3.279 -0.218 123.05
CaSO4 3.220e-04 1.717e-03 -3.492 -2.765 0.727 7.50 CaSO4 3.227e-04 1.721e-03 -3.491 -2.764 0.727 7.50
CaCO3 6.889e-07 3.674e-06 -6.162 -5.435 0.727 -14.60 CaCO3 1.041e-06 5.551e-06 -5.983 -5.256 0.727 -14.60
CaOH+ 8.698e-09 4.782e-08 -8.061 -7.320 0.740 (0) CaOH+ 8.717e-09 4.794e-08 -8.060 -7.319 0.740 (0)
CaHSO4+ 3.975e-09 2.186e-08 -8.401 -7.660 0.740 (0) CaHSO4+ 3.984e-09 2.191e-08 -8.400 -7.659 0.740 (0)
Cl 6.642e+00 Cl 6.642e+00
Cl- 6.642e+00 4.165e+00 0.822 0.620 -0.203 20.27 Cl- 6.642e+00 4.165e+00 0.822 0.620 -0.203 20.27
HCl 2.239e-09 2.778e-06 -8.650 -5.556 3.094 (0) HCl 2.238e-09 2.778e-06 -8.650 -5.556 3.094 (0)
H(0) 0.000e+00 H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -45.226 -44.499 0.727 28.61 H2 0.000e+00 0.000e+00 -45.226 -44.499 0.727 28.61
Mg 1.609e-01 Mg 1.609e-01
Mg+2 1.593e-01 5.238e-01 -0.798 -0.281 0.517 -17.22 Mg+2 1.585e-01 5.213e-01 -0.800 -0.283 0.517 -17.22
MgHCO3+ 1.562e-03 7.781e-04 -2.806 -3.109 -0.303 6.01 MgHCO3+ 2.344e-03 1.167e-03 -2.630 -2.933 -0.303 6.01
MgSO4 6.548e-05 1.862e-03 -4.184 -2.730 1.454 -7.92 MgSO4 6.515e-05 1.853e-03 -4.186 -2.732 1.454 -7.92
MgOH+ 1.231e-06 7.705e-07 -5.910 -6.113 -0.204 (0) MgOH+ 1.225e-06 7.669e-07 -5.912 -6.115 -0.204 (0)
MgCO3 2.882e-07 1.537e-06 -6.540 -5.813 0.727 -17.09 MgCO3 4.324e-07 2.306e-06 -6.364 -5.637 0.727 -17.09
Mg(SO4)2-2 2.202e-07 8.328e-08 -6.657 -7.079 -0.422 54.97 Mg(SO4)2-2 2.191e-07 8.286e-08 -6.659 -7.082 -0.422 54.97
Na 5.402e+00 Na 5.402e+00
Na+ 5.398e+00 1.072e+01 0.732 1.030 0.298 1.52 Na+ 5.398e+00 1.072e+01 0.732 1.030 0.298 1.52
NaSO4- 4.064e-03 2.370e-03 -2.391 -2.625 -0.234 35.76 NaSO4- 4.063e-03 2.370e-03 -2.391 -2.625 -0.234 35.76
NaHCO3 4.169e-05 1.186e-03 -4.380 -2.926 1.454 31.73 NaHCO3 6.284e-05 1.787e-03 -4.202 -2.748 1.454 31.73
NaOH 8.245e-19 4.397e-18 -18.084 -17.357 0.727 (0) NaOH 8.245e-19 4.397e-18 -18.084 -17.357 0.727 (0)
O(0) 9.587e-05 O(0) 9.585e-05
O2 4.793e-05 2.556e-04 -4.319 -3.592 0.727 30.40 O2 4.793e-05 2.556e-04 -4.319 -3.592 0.727 30.40
S(-2) 0.000e+00 S(-2) 0.000e+00
H2S 0.000e+00 0.000e+00 -141.404 -140.677 0.727 36.27 H2S 0.000e+00 0.000e+00 -141.404 -140.677 0.727 36.27
HS- 0.000e+00 0.000e+00 -141.570 -141.905 -0.335 23.12 HS- 0.000e+00 0.000e+00 -141.570 -141.905 -0.335 23.12
S-2 0.000e+00 0.000e+00 -148.097 -149.110 -1.013 (0) S-2 0.000e+00 0.000e+00 -148.097 -149.110 -1.013 (0)
(H2S)2 0.000e+00 0.000e+00 -283.358 -282.631 0.727 30.09 (H2S)2 0.000e+00 0.000e+00 -283.359 -282.632 0.727 30.09
S(6) 4.725e-03 S(6) 4.725e-03
NaSO4- 4.064e-03 2.370e-03 -2.391 -2.625 -0.234 35.76 NaSO4- 4.063e-03 2.370e-03 -2.391 -2.625 -0.234 35.76
CaSO4 3.220e-04 1.717e-03 -3.492 -2.765 0.727 7.50 CaSO4 3.227e-04 1.721e-03 -3.491 -2.764 0.727 7.50
SO4-2 2.735e-04 1.358e-05 -3.563 -4.867 -1.304 85.83 SO4-2 2.734e-04 1.358e-05 -3.563 -4.867 -1.304 85.83
MgSO4 6.548e-05 1.862e-03 -4.184 -2.730 1.454 -7.92 MgSO4 6.515e-05 1.853e-03 -4.186 -2.732 1.454 -7.92
Mg(SO4)2-2 2.202e-07 8.328e-08 -6.657 -7.079 -0.422 54.97 Mg(SO4)2-2 2.191e-07 8.286e-08 -6.659 -7.082 -0.422 54.97
CaHSO4+ 3.975e-09 2.186e-08 -8.401 -7.660 0.740 (0) CaHSO4+ 3.984e-09 2.191e-08 -8.400 -7.659 0.740 (0)
HSO4- 4.649e-10 2.556e-09 -9.333 -8.592 0.740 42.16 HSO4- 4.648e-10 2.556e-09 -9.333 -8.592 0.740 42.16
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(298 K, 1 atm) Phase SI** log IAP log K(298 K, 1 atm)
Anhydrite -0.74 -5.02 -4.28 CaSO4 Anhydrite -0.74 -5.01 -4.28 CaSO4
Aragonite -0.32 -8.66 -8.34 CaCO3 Aragonite -0.14 -8.48 -8.34 CaCO3
Calcite -0.18 -8.66 -8.48 CaCO3 Calcite -0.00 -8.48 -8.48 CaCO3
CH4(g) -141.15 -143.95 -2.80 CH4 CH4(g) -140.97 -143.77 -2.80 CH4
CO2(g) -1.68 -3.15 -1.47 CO2 CO2(g) -1.51 -2.97 -1.47 CO2
Dolomite -0.37 -17.45 -17.08 CaMg(CO3)2 Dolomite -0.01 -17.10 -17.08 CaMg(CO3)2
Epsomite -4.15 -5.89 -1.74 MgSO4:7H2O Epsomite -4.15 -5.89 -1.74 MgSO4:7H2O
Gypsum -0.64 -5.23 -4.58 CaSO4:2H2O Gypsum -0.64 -5.22 -4.58 CaSO4:2H2O
H2(g) -41.40 -44.50 -3.10 H2 H2(g) -41.40 -44.50 -3.10 H2
H2O(g) -1.61 -0.11 1.50 H2O H2O(g) -1.61 -0.11 1.50 H2O
H2S(g) -139.68 -147.62 -7.94 H2S H2S(g) -139.68 -147.62 -7.94 H2S
Halite 0.08 1.65 1.57 NaCl Halite 0.08 1.65 1.57 NaCl
Hexahydrite -4.21 -5.78 -1.57 MgSO4:6H2O Hexahydrite -4.22 -5.78 -1.57 MgSO4:6H2O
Kieserite -4.09 -5.25 -1.16 MgSO4:H2O Kieserite -4.09 -5.26 -1.16 MgSO4:H2O
Mirabilite -2.62 -3.86 -1.24 Na2SO4:10H2O Mirabilite -2.62 -3.86 -1.24 Na2SO4:10H2O
O2(g) -0.70 -3.59 -2.89 O2 Pressure 0.2 atm, phi 1.000 O2(g) -0.70 -3.59 -2.89 O2 Pressure 0.2 atm, phi 1.000
Sulfur -104.21 -99.33 4.88 S Sulfur -104.21 -99.33 4.88 S
@ -230,105 +230,105 @@ Using pure phase assemblage 1.
Moles in assemblage Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta Phase SI log IAP log K(T, P) Initial Final Delta
Calcite 0.00 -8.48 -8.48 1.000e-01 1.049e-01 4.857e-03 Calcite 0.00 -8.48 -8.48 1.000e-01 1.065e-01 6.536e-03
Dolomite 0.00 -17.08 -17.08 1.600e+00 1.598e+00 -2.464e-03 Dolomite 0.00 -17.08 -17.08 1.600e+00 1.597e+00 -3.272e-03
-----------------------------Solution composition------------------------------ -----------------------------Solution composition------------------------------
Elements Molality Moles Elements Molality Moles
As 2.500e-08 2.500e-08 As 2.500e-08 2.500e-08
C 4.032e-03 4.032e-03 C 3.968e-03 3.968e-03
Ca 4.631e-01 4.631e-01 Ca 4.622e-01 4.622e-01
Cl 6.642e+00 6.642e+00 Cl 6.642e+00 6.642e+00
Mg 1.634e-01 1.634e-01 Mg 1.642e-01 1.642e-01
Na 5.402e+00 5.402e+00 Na 5.402e+00 5.402e+00
S 4.725e-03 4.725e-03 S 4.725e-03 4.725e-03
----------------------------Description of solution---------------------------- ----------------------------Description of solution----------------------------
pH = 5.881 Charge balance pH = 5.720 Charge balance
pe = 14.794 Adjusted to redox equilibrium pe = 14.955 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 242989 Specific Conductance (µS/cm, 25°C) = 242937
Density (g/cm³) = 1.21638 Density (g/cm³) = 1.21626
Volume (L) = 1.13689 Volume (L) = 1.13699
Viscosity (mPa s) = 1.95471 Viscosity (mPa s) = 1.95490
Activity of water = 0.785 Activity of water = 0.785
Ionic strength (mol/kgw) = 7.269e+00 Ionic strength (mol/kgw) = 7.270e+00
Mass of water (kg) = 1.000e+00 Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 3.869e-03 Total alkalinity (eq/kg) = 3.625e-03
Total CO2 (mol/kg) = 4.032e-03 Total CO2 (mol/kg) = 3.968e-03
Temperature (°C) = 25.00 Temperature (°C) = 25.00
Electrical balance (eq) = 8.401e-13 Electrical balance (eq) = 3.117e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 3 Iterations = 2
Total H = 1.110162e+02 Total H = 1.110160e+02
Total O = 5.553708e+01 Total O = 5.553677e+01
----------------------------Distribution of species---------------------------- ----------------------------Distribution of species----------------------------
Log Log Log mole V Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol Species Molality Activity Molality Activity Gamma cm³/mol
H+ 1.872e-06 1.315e-06 -5.728 -5.881 -0.153 0.00 H+ 2.712e-06 1.905e-06 -5.567 -5.720 -0.153 0.00
OH- 1.307e-08 6.038e-09 -7.884 -8.219 -0.335 6.33 OH- 9.023e-09 4.168e-09 -8.045 -8.380 -0.335 6.33
H2O 5.551e+01 7.846e-01 1.744 -0.105 0.000 18.07 H2O 5.551e+01 7.846e-01 1.744 -0.105 0.000 18.07
As 2.500e-08 As 2.500e-08
H2AsO4- 2.498e-08 1.374e-07 -7.602 -6.862 0.740 (0) H2AsO4- 2.498e-08 1.374e-07 -7.602 -6.862 0.740 (0)
HAsO4-2 1.253e-11 1.145e-08 -10.902 -7.941 2.961 (0) HAsO4-2 8.646e-12 7.906e-09 -11.063 -8.102 2.961 (0)
H3AsO4 5.887e-12 3.139e-11 -11.230 -10.503 0.727 (0) H3AsO4 8.529e-12 4.549e-11 -11.069 -10.342 0.727 (0)
AsO4-3 5.997e-21 2.753e-14 -20.222 -13.560 6.662 (0) AsO4-3 2.854e-21 1.312e-14 -20.545 -13.882 6.663 (0)
C(-4) 0.000e+00 C(-4) 0.000e+00
CH4 0.000e+00 0.000e+00 -144.828 -144.101 0.727 35.46 CH4 0.000e+00 0.000e+00 -144.506 -143.780 0.727 35.46
C(4) 4.032e-03 C(4) 3.968e-03
CaHCO3+ 1.956e-03 1.185e-03 -2.709 -2.926 -0.218 10.08 MgHCO3+ 2.375e-03 1.183e-03 -2.624 -2.927 -0.303 6.01
MgHCO3+ 1.640e-03 8.166e-04 -2.785 -3.088 -0.303 6.01 CaHCO3+ 8.569e-04 5.189e-04 -3.067 -3.285 -0.218 123.05
HCO3- 2.270e-04 1.313e-04 -3.644 -3.882 -0.238 37.31 CO2 3.437e-04 1.038e-03 -3.464 -2.984 0.480 34.43
CO2 1.639e-04 4.948e-04 -3.785 -3.306 0.480 34.43 HCO3- 3.286e-04 1.901e-04 -3.483 -3.721 -0.238 37.32
NaHCO3 4.311e-05 1.226e-03 -4.365 -2.912 1.454 31.73 NaHCO3 6.240e-05 1.775e-03 -4.205 -2.751 1.454 31.73
CaCO3 1.043e-06 5.563e-06 -5.982 -5.255 0.727 -14.60 CaCO3 1.043e-06 5.563e-06 -5.982 -5.255 0.727 -14.60
MgCO3 4.453e-07 2.375e-06 -6.351 -5.624 0.727 -17.09 MgCO3 4.453e-07 2.375e-06 -6.351 -5.624 0.727 -17.09
CO3-2 4.184e-08 4.681e-09 -7.378 -8.330 -0.951 10.19 CO3-2 4.181e-08 4.678e-09 -7.379 -8.330 -0.951 10.19
(CO2)2 8.427e-10 4.494e-09 -9.074 -8.347 0.727 68.87 (CO2)2 3.706e-09 1.976e-08 -8.431 -7.704 0.727 68.87
Ca 4.631e-01 Ca 4.622e-01
Ca+2 4.608e-01 7.074e-01 -0.336 -0.150 0.186 -13.79 Ca+2 4.611e-01 7.079e-01 -0.336 -0.150 0.186 -13.79
CaHCO3+ 1.956e-03 1.185e-03 -2.709 -2.926 -0.218 10.08 CaHCO3+ 8.569e-04 5.189e-04 -3.067 -3.285 -0.218 123.05
CaSO4 3.204e-04 1.708e-03 -3.494 -2.767 0.727 7.50 CaSO4 3.205e-04 1.709e-03 -3.494 -2.767 0.727 7.50
CaCO3 1.043e-06 5.563e-06 -5.982 -5.255 0.727 -14.60 CaCO3 1.043e-06 5.563e-06 -5.982 -5.255 0.727 -14.60
CaOH+ 1.274e-08 7.004e-08 -7.895 -7.155 0.740 (0) CaOH+ 8.798e-09 4.838e-08 -8.056 -7.315 0.740 (0)
CaHSO4+ 2.686e-09 1.477e-08 -8.571 -7.831 0.740 (0) CaHSO4+ 3.893e-09 2.141e-08 -8.410 -7.669 0.740 (0)
Cl 6.642e+00 Cl 6.642e+00
Cl- 6.642e+00 4.165e+00 0.822 0.620 -0.203 20.27 Cl- 6.642e+00 4.165e+00 0.822 0.620 -0.203 20.27
HCl 1.521e-09 1.887e-06 -8.818 -5.724 3.094 (0) HCl 2.202e-09 2.734e-06 -8.657 -5.563 3.094 (0)
H(0) 0.000e+00 H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -45.226 -44.499 0.727 28.61 H2 0.000e+00 0.000e+00 -45.226 -44.499 0.727 28.61
Mg 1.634e-01 Mg 1.642e-01
Mg+2 1.617e-01 5.316e-01 -0.791 -0.274 0.517 -17.22 Mg+2 1.617e-01 5.320e-01 -0.791 -0.274 0.517 -17.22
MgHCO3+ 1.640e-03 8.166e-04 -2.785 -3.088 -0.303 6.01 MgHCO3+ 2.375e-03 1.183e-03 -2.624 -2.927 -0.303 6.01
MgSO4 6.648e-05 1.890e-03 -4.177 -2.723 1.454 -7.92 MgSO4 6.650e-05 1.891e-03 -4.177 -2.723 1.454 -7.92
MgOH+ 1.840e-06 1.151e-06 -5.735 -5.939 -0.204 (0) MgOH+ 1.271e-06 7.954e-07 -5.896 -6.099 -0.204 (0)
MgCO3 4.453e-07 2.375e-06 -6.351 -5.624 0.727 -17.09 MgCO3 4.453e-07 2.375e-06 -6.351 -5.624 0.727 -17.09
Mg(SO4)2-2 2.236e-07 8.455e-08 -6.651 -7.073 -0.422 54.97 Mg(SO4)2-2 2.237e-07 8.458e-08 -6.650 -7.073 -0.422 54.97
Na 5.402e+00 Na 5.402e+00
Na+ 5.398e+00 1.072e+01 0.732 1.030 0.298 1.52 Na+ 5.398e+00 1.072e+01 0.732 1.030 0.298 1.52
NaSO4- 4.064e-03 2.370e-03 -2.391 -2.625 -0.234 35.76 NaSO4- 4.064e-03 2.370e-03 -2.391 -2.625 -0.234 35.76
NaHCO3 4.311e-05 1.226e-03 -4.365 -2.912 1.454 31.73 NaHCO3 6.240e-05 1.775e-03 -4.205 -2.751 1.454 31.73
NaOH 1.214e-18 6.474e-18 -17.916 -17.189 0.727 (0) NaOH 8.380e-19 4.469e-18 -18.077 -17.350 0.727 (0)
O(0) 9.587e-05 O(0) 9.585e-05
O2 4.793e-05 2.556e-04 -4.319 -3.592 0.727 30.40 O2 4.793e-05 2.556e-04 -4.319 -3.592 0.727 30.40
S(-2) 0.000e+00 S(-2) 0.000e+00
HS- 0.000e+00 0.000e+00 -141.738 -142.073 -0.335 23.12 H2S 0.000e+00 0.000e+00 -141.418 -140.691 0.727 36.27
H2S 0.000e+00 0.000e+00 -141.739 -141.013 0.727 36.27 HS- 0.000e+00 0.000e+00 -141.577 -141.912 -0.335 23.12
S-2 0.000e+00 0.000e+00 -148.097 -149.110 -1.013 (0) S-2 0.000e+00 0.000e+00 -148.097 -149.110 -1.013 (0)
(H2S)2 0.000e+00 0.000e+00 -284.030 -283.303 0.727 30.09 (H2S)2 0.000e+00 0.000e+00 -283.387 -282.660 0.727 30.09
S(6) 4.725e-03 S(6) 4.725e-03
NaSO4- 4.064e-03 2.370e-03 -2.391 -2.625 -0.234 35.76 NaSO4- 4.064e-03 2.370e-03 -2.391 -2.625 -0.234 35.76
CaSO4 3.204e-04 1.708e-03 -3.494 -2.767 0.727 7.50 CaSO4 3.205e-04 1.709e-03 -3.494 -2.767 0.727 7.50
SO4-2 2.735e-04 1.358e-05 -3.563 -4.867 -1.304 85.83 SO4-2 2.735e-04 1.358e-05 -3.563 -4.867 -1.304 85.83
MgSO4 6.648e-05 1.890e-03 -4.177 -2.723 1.454 -7.92 MgSO4 6.650e-05 1.891e-03 -4.177 -2.723 1.454 -7.92
Mg(SO4)2-2 2.236e-07 8.455e-08 -6.651 -7.073 -0.422 54.97 Mg(SO4)2-2 2.237e-07 8.458e-08 -6.650 -7.073 -0.422 54.97
CaHSO4+ 2.686e-09 1.477e-08 -8.571 -7.831 0.740 (0) CaHSO4+ 3.893e-09 2.141e-08 -8.410 -7.669 0.740 (0)
HSO4- 3.158e-10 1.737e-09 -9.501 -8.760 0.740 42.16 HSO4- 4.574e-10 2.515e-09 -9.340 -8.599 0.740 42.16
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
@ -337,20 +337,20 @@ S(6) 4.725e-03
Anhydrite -0.74 -5.02 -4.28 CaSO4 Anhydrite -0.74 -5.02 -4.28 CaSO4
Aragonite -0.14 -8.48 -8.34 CaCO3 Aragonite -0.14 -8.48 -8.34 CaCO3
Calcite 0.00 -8.48 -8.48 CaCO3 Calcite 0.00 -8.48 -8.48 CaCO3
CH4(g) -141.30 -144.10 -2.80 CH4 CH4(g) -140.98 -143.78 -2.80 CH4
CO2(g) -1.84 -3.31 -1.47 CO2 CO2(g) -1.52 -2.98 -1.47 CO2
Dolomite 0.00 -17.08 -17.08 CaMg(CO3)2 Dolomite 0.00 -17.08 -17.08 CaMg(CO3)2
Epsomite -4.14 -5.88 -1.74 MgSO4:7H2O Epsomite -4.14 -5.88 -1.74 MgSO4:7H2O
Gypsum -0.65 -5.23 -4.58 CaSO4:2H2O Gypsum -0.65 -5.23 -4.58 CaSO4:2H2O
H2(g) -41.40 -44.50 -3.10 H2 H2(g) -41.40 -44.50 -3.10 H2
H2O(g) -1.61 -0.11 1.50 H2O H2O(g) -1.61 -0.11 1.50 H2O
H2S(g) -140.02 -147.95 -7.94 H2S H2S(g) -139.70 -147.63 -7.94 H2S
Halite 0.08 1.65 1.57 NaCl Halite 0.08 1.65 1.57 NaCl
Hexahydrite -4.21 -5.77 -1.57 MgSO4:6H2O Hexahydrite -4.21 -5.77 -1.57 MgSO4:6H2O
Kieserite -4.09 -5.25 -1.16 MgSO4:H2O Kieserite -4.09 -5.25 -1.16 MgSO4:H2O
Mirabilite -2.62 -3.86 -1.24 Na2SO4:10H2O Mirabilite -2.62 -3.86 -1.24 Na2SO4:10H2O
O2(g) -0.70 -3.59 -2.89 O2 O2(g) -0.70 -3.59 -2.89 O2
Sulfur -104.55 -99.66 4.88 S Sulfur -104.22 -99.34 4.88 S
Thenardite -2.51 -2.81 -0.30 Na2SO4 Thenardite -2.51 -2.81 -0.30 Na2SO4
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
@ -385,8 +385,8 @@ X 1.000e+00 mol
Species Moles alents Fraction Gamma Species Moles alents Fraction Gamma
NaX 9.010e-01 9.010e-01 9.010e-01 0.298 NaX 9.010e-01 9.010e-01 9.010e-01 0.298
CaX2 4.051e-02 8.102e-02 8.102e-02 0.186 CaX2 4.053e-02 8.105e-02 8.105e-02 0.186
MgX2 8.966e-03 1.793e-02 1.793e-02 0.517 MgX2 8.970e-03 1.794e-02 1.794e-02 0.517
------------------------------------------------------ ------------------------------------------------------
Beginning of initial surface-composition calculations. Beginning of initial surface-composition calculations.
@ -397,11 +397,11 @@ Surface 1.
Diffuse Double Layer Surface-Complexation Model Diffuse Double Layer Surface-Complexation Model
Surf Surf
5.172e-02 Surface charge, eq 5.630e-02 Surface charge, eq
2.772e-01 sigma, C/m² 3.018e-01 sigma, C/m²
4.066e-02 psi, V 4.360e-02 psi, V
-1.583e+00 -F*psi/RT -1.697e+00 -F*psi/RT
2.054e-01 exp(-F*psi/RT) 1.832e-01 exp(-F*psi/RT)
6.000e+02 specific area, m²/g 6.000e+02 specific area, m²/g
1.800e+04 m² for 3.000e+01 g 1.800e+04 m² for 3.000e+01 g
@ -411,12 +411,12 @@ Surf
Mole Log Mole Log
Species Moles Fraction Molality Molality Species Moles Fraction Molality Molality
SurfOH2+ 5.669e-02 0.810 5.669e-02 -1.246 SurfOH2+ 5.939e-02 0.848 5.939e-02 -1.226
SurfOH 1.076e-02 0.154 1.076e-02 -1.968 SurfOH 8.727e-03 0.125 8.727e-03 -2.059
SurfOHAsO4-3 1.299e-03 0.019 1.299e-03 -2.886 SurfHAsO4- 9.359e-04 0.013 9.359e-04 -3.029
SurfHAsO4- 1.029e-03 0.015 1.029e-03 -2.988 SurfOHAsO4-3 7.082e-04 0.010 7.082e-04 -3.150
SurfH2AsO4 1.754e-04 0.003 1.754e-04 -3.756 SurfH2AsO4 2.061e-04 0.003 2.061e-04 -3.686
SurfO- 4.679e-05 0.001 4.679e-05 -4.330 SurfO- 2.938e-05 0.000 2.938e-05 -4.532
------------------ ------------------
End of simulation. End of simulation.
@ -474,7 +474,7 @@ Initial solution 0. 20 x precipitation
Total alkalinity (eq/kg) = -2.630e-05 Total alkalinity (eq/kg) = -2.630e-05
Total CO2 (mol/kg) = 1.096e-05 Total CO2 (mol/kg) = 1.096e-05
Temperature (°C) = 25.00 Temperature (°C) = 25.00
Electrical balance (eq) = 7.480e-16 Electrical balance (eq) = 1.978e-16
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 9 Iterations = 9
Total H = 1.110125e+02 Total H = 1.110125e+02
@ -493,7 +493,7 @@ C(-4) 0.000e+00
C(4) 1.096e-05 C(4) 1.096e-05
CO2 1.076e-05 1.076e-05 -4.968 -4.968 0.000 34.43 CO2 1.076e-05 1.076e-05 -4.968 -4.968 0.000 34.43
HCO3- 1.975e-07 1.906e-07 -6.704 -6.720 -0.016 24.58 HCO3- 1.975e-07 1.906e-07 -6.704 -6.720 -0.016 24.58
CaHCO3+ 4.061e-10 3.919e-10 -9.391 -9.407 -0.015 9.67 CaHCO3+ 1.228e-10 1.185e-10 -9.911 -9.926 -0.015 122.64
MgHCO3+ 6.872e-11 6.627e-11 -10.163 -10.179 -0.016 5.48 MgHCO3+ 6.872e-11 6.627e-11 -10.163 -10.179 -0.016 5.48
NaHCO3 1.957e-11 1.958e-11 -10.708 -10.708 0.000 31.73 NaHCO3 1.957e-11 1.958e-11 -10.708 -10.708 0.000 31.73
(CO2)2 2.126e-12 2.127e-12 -11.672 -11.672 0.000 68.87 (CO2)2 2.126e-12 2.127e-12 -11.672 -11.672 0.000 68.87
@ -504,7 +504,7 @@ Ca 1.916e-04
Ca+2 1.860e-04 1.612e-04 -3.731 -3.793 -0.062 -18.14 Ca+2 1.860e-04 1.612e-04 -3.731 -3.793 -0.062 -18.14
CaSO4 5.634e-06 5.635e-06 -5.249 -5.249 0.000 7.50 CaSO4 5.634e-06 5.635e-06 -5.249 -5.249 0.000 7.50
CaHSO4+ 9.648e-10 9.304e-10 -9.016 -9.031 -0.016 (0) CaHSO4+ 9.648e-10 9.304e-10 -9.016 -9.031 -0.016 (0)
CaHCO3+ 4.061e-10 3.919e-10 -9.391 -9.407 -0.015 9.67 CaHCO3+ 1.228e-10 1.185e-10 -9.911 -9.926 -0.015 122.64
CaOH+ 1.104e-12 1.065e-12 -11.957 -11.973 -0.016 (0) CaOH+ 1.104e-12 1.065e-12 -11.957 -11.973 -0.016 (0)
CaCO3 9.632e-14 9.634e-14 -13.016 -13.016 0.000 -14.60 CaCO3 9.632e-14 9.634e-14 -13.016 -13.016 0.000 -14.60
Cl 1.337e-04 Cl 1.337e-04
@ -580,100 +580,100 @@ Using pure phase assemblage 0.
Moles in assemblage Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta Phase SI log IAP log K(T, P) Initial Final Delta
CO2(g) -1.50 -2.97 -1.47 1.000e+01 9.996e+00 -4.073e-03 CO2(g) -1.50 -2.97 -1.47 1.000e+01 9.996e+00 -4.032e-03
Calcite 0.00 -8.48 -8.48 1.000e-01 9.968e-02 -3.160e-04 Calcite 0.00 -8.48 -8.48 1.000e-01 9.974e-02 -2.569e-04
Dolomite 0.00 -17.08 -17.08 1.600e+00 1.599e+00 -1.366e-03 Dolomite 0.00 -17.08 -17.08 1.600e+00 1.599e+00 -1.375e-03
-----------------------------Solution composition------------------------------ -----------------------------Solution composition------------------------------
Elements Molality Moles Elements Molality Moles
C 7.133e-03 7.132e-03 C 7.051e-03 7.051e-03
Ca 1.874e-03 1.874e-03 Ca 1.824e-03 1.824e-03
Cl 1.337e-04 1.337e-04 Cl 1.337e-04 1.337e-04
Mg 1.402e-03 1.402e-03 Mg 1.411e-03 1.411e-03
Na 1.227e-04 1.227e-04 Na 1.227e-04 1.227e-04
S 2.351e-04 2.351e-04 S 2.351e-04 2.351e-04
----------------------------Description of solution---------------------------- ----------------------------Description of solution----------------------------
pH = 7.048 Charge balance pH = 7.047 Charge balance
pe = 13.574 Adjusted to redox equilibrium pe = 13.576 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 604 Specific Conductance (µS/cm, 25°C) = 603
Density (g/cm³) = 0.99747 Density (g/cm³) = 0.99746
Volume (L) = 1.00305 Volume (L) = 1.00305
Viscosity (mPa s) = 0.89401 Viscosity (mPa s) = 0.89401
Activity of water = 1.000 Activity of water = 1.000
Ionic strength (mol/kgw) = 9.649e-03 Ionic strength (mol/kgw) = 9.649e-03
Mass of water (kg) = 9.999e-01 Mass of water (kg) = 9.999e-01
Total alkalinity (eq/kg) = 6.070e-03 Total alkalinity (eq/kg) = 5.989e-03
Total CO2 (mol/kg) = 7.133e-03 Total CO2 (mol/kg) = 7.051e-03
Temperature (°C) = 25.00 Temperature (°C) = 25.00
Electrical balance (eq) = 2.082e-15 Electrical balance (eq) = 2.051e-15
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 9 Iterations = 9
Total H = 1.110125e+02 Total H = 1.110125e+02
Total O = 5.552498e+01 Total O = 5.552478e+01
----------------------------Distribution of species---------------------------- ----------------------------Distribution of species----------------------------
Log Log Log mole V Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol Species Molality Activity Molality Activity Gamma cm³/mol
OH- 1.254e-07 1.130e-07 -6.902 -6.947 -0.045 -4.04 OH- 1.250e-07 1.126e-07 -6.903 -6.948 -0.045 -4.04
H+ 9.790e-08 8.953e-08 -7.009 -7.048 -0.039 0.00 H+ 9.823e-08 8.983e-08 -7.008 -7.047 -0.039 0.00
H2O 5.551e+01 9.998e-01 1.744 -0.000 0.000 18.07 H2O 5.551e+01 9.998e-01 1.744 -0.000 0.000 18.07
C(-4) 0.000e+00 C(-4) 0.000e+00
CH4 0.000e+00 0.000e+00 -143.556 -143.555 0.001 35.46 CH4 0.000e+00 0.000e+00 -143.556 -143.555 0.001 35.46
C(4) 7.133e-03 C(4) 7.051e-03
HCO3- 5.895e-03 5.344e-03 -2.230 -2.272 -0.043 24.65 HCO3- 5.875e-03 5.326e-03 -2.231 -2.274 -0.043 24.65
CO2 1.074e-03 1.076e-03 -2.969 -2.968 0.001 34.43 CO2 1.074e-03 1.076e-03 -2.969 -2.968 0.001 34.43
CaHCO3+ 8.885e-05 8.066e-05 -4.051 -4.093 -0.042 9.72 MgHCO3+ 6.178e-05 5.578e-05 -4.209 -4.254 -0.044 5.53
MgHCO3+ 6.157e-05 5.559e-05 -4.211 -4.255 -0.044 5.53 CaHCO3+ 2.695e-05 2.447e-05 -4.569 -4.611 -0.042 122.69
CaCO3 5.551e-06 5.563e-06 -5.256 -5.255 0.001 -14.60 CaCO3 5.551e-06 5.563e-06 -5.256 -5.255 0.001 -14.60
CO3-2 4.146e-06 2.799e-06 -5.382 -5.553 -0.171 -3.67 CO3-2 4.119e-06 2.780e-06 -5.385 -5.556 -0.171 -3.67
MgCO3 2.369e-06 2.375e-06 -5.625 -5.624 0.001 -17.09 MgCO3 2.369e-06 2.375e-06 -5.625 -5.624 0.001 -17.09
NaHCO3 5.111e-07 5.134e-07 -6.291 -6.290 0.002 31.73 NaHCO3 5.094e-07 5.117e-07 -6.293 -6.291 0.002 31.73
(CO2)2 2.120e-08 2.125e-08 -7.674 -7.673 0.001 68.87 (CO2)2 2.120e-08 2.125e-08 -7.674 -7.673 0.001 68.87
Ca 1.874e-03 Ca 1.824e-03
Ca+2 1.754e-03 1.183e-03 -2.756 -2.927 -0.171 -17.93 Ca+2 1.766e-03 1.191e-03 -2.753 -2.924 -0.171 -17.93
CaHCO3+ 8.885e-05 8.066e-05 -4.051 -4.093 -0.042 9.72 CaHCO3+ 2.695e-05 2.447e-05 -4.569 -4.611 -0.042 122.69
CaSO4 2.553e-05 2.558e-05 -4.593 -4.592 0.001 7.50 CaSO4 2.566e-05 2.572e-05 -4.591 -4.590 0.001 7.50
CaCO3 5.551e-06 5.563e-06 -5.256 -5.255 0.001 -14.60 CaCO3 5.551e-06 5.563e-06 -5.256 -5.255 0.001 -14.60
CaOH+ 2.427e-09 2.193e-09 -8.615 -8.659 -0.044 (0) CaOH+ 2.435e-09 2.200e-09 -8.613 -8.658 -0.044 (0)
CaHSO4+ 1.667e-11 1.506e-11 -10.778 -10.822 -0.044 (0) CaHSO4+ 1.681e-11 1.519e-11 -10.774 -10.819 -0.044 (0)
Cl 1.337e-04 Cl 1.337e-04
Cl- 1.337e-04 1.206e-04 -3.874 -3.919 -0.045 18.14 Cl- 1.337e-04 1.206e-04 -3.874 -3.919 -0.045 18.14
HCl 3.686e-12 3.721e-12 -11.433 -11.429 0.004 (0) HCl 3.698e-12 3.733e-12 -11.432 -11.428 0.004 (0)
H(0) 0.000e+00 H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -44.395 -44.394 0.001 28.61 H2 0.000e+00 0.000e+00 -44.395 -44.394 0.001 28.61
Mg 1.402e-03 Mg 1.411e-03
Mg+2 1.310e-03 8.891e-04 -2.883 -3.051 -0.168 -21.62 Mg+2 1.319e-03 8.951e-04 -2.880 -3.048 -0.168 -21.62
MgHCO3+ 6.157e-05 5.559e-05 -4.211 -4.255 -0.044 5.53 MgHCO3+ 6.178e-05 5.578e-05 -4.209 -4.254 -0.044 5.53
MgSO4 2.818e-05 2.831e-05 -4.550 -4.548 0.002 -7.92 MgSO4 2.833e-05 2.845e-05 -4.548 -4.546 0.002 -7.92
MgCO3 2.369e-06 2.375e-06 -5.625 -5.624 0.001 -17.09 MgCO3 2.369e-06 2.375e-06 -5.625 -5.624 0.001 -17.09
MgOH+ 3.965e-08 3.605e-08 -7.402 -7.443 -0.041 (0) MgOH+ 3.979e-08 3.617e-08 -7.400 -7.442 -0.041 (0)
Mg(SO4)2-2 1.650e-08 1.134e-08 -7.782 -7.945 -0.163 6.69 Mg(SO4)2-2 1.656e-08 1.138e-08 -7.781 -7.944 -0.163 6.69
Na 1.227e-04 Na 1.227e-04
Na+ 1.219e-04 1.103e-04 -3.914 -3.957 -0.043 -1.38 Na+ 1.219e-04 1.103e-04 -3.914 -3.957 -0.043 -1.38
NaHCO3 5.111e-07 5.134e-07 -6.291 -6.290 0.002 31.73 NaHCO3 5.094e-07 5.117e-07 -6.293 -6.291 0.002 31.73
NaSO4- 2.408e-07 2.184e-07 -6.618 -6.661 -0.043 -15.24 NaSO4- 2.405e-07 2.180e-07 -6.619 -6.662 -0.043 -15.24
NaOH 1.244e-21 1.247e-21 -20.905 -20.904 0.001 (0) NaOH 1.240e-21 1.243e-21 -20.907 -20.906 0.001 (0)
O(0) 5.111e-04 O(0) 5.111e-04
O2 2.556e-04 2.561e-04 -3.593 -3.592 0.001 30.40 O2 2.556e-04 2.561e-04 -3.593 -3.592 0.001 30.40
S(-2) 0.000e+00 S(-2) 0.000e+00
HS- 0.000e+00 0.000e+00 -142.245 -142.290 -0.045 20.67 HS- 0.000e+00 0.000e+00 -142.244 -142.289 -0.045 20.67
H2S 0.000e+00 0.000e+00 -142.397 -142.396 0.001 36.27 H2S 0.000e+00 0.000e+00 -142.395 -142.394 0.001 36.27
S-2 0.000e+00 0.000e+00 -147.987 -148.160 -0.173 (0) S-2 0.000e+00 0.000e+00 -147.988 -148.161 -0.173 (0)
(H2S)2 0.000e+00 0.000e+00 -286.072 -286.071 0.001 30.09 (H2S)2 0.000e+00 0.000e+00 -286.067 -286.066 0.001 30.09
S(6) 2.351e-04 S(6) 2.351e-04
SO4-2 1.811e-04 1.216e-04 -3.742 -3.915 -0.173 17.83 SO4-2 1.808e-04 1.214e-04 -3.743 -3.916 -0.173 17.83
MgSO4 2.818e-05 2.831e-05 -4.550 -4.548 0.002 -7.92 MgSO4 2.833e-05 2.845e-05 -4.548 -4.546 0.002 -7.92
CaSO4 2.553e-05 2.558e-05 -4.593 -4.592 0.001 7.50 CaSO4 2.566e-05 2.572e-05 -4.591 -4.590 0.001 7.50
NaSO4- 2.408e-07 2.184e-07 -6.618 -6.661 -0.043 -15.24 NaSO4- 2.405e-07 2.180e-07 -6.619 -6.662 -0.043 -15.24
Mg(SO4)2-2 1.650e-08 1.134e-08 -7.782 -7.945 -0.163 6.69 Mg(SO4)2-2 1.656e-08 1.138e-08 -7.781 -7.944 -0.163 6.69
HSO4- 1.172e-09 1.059e-09 -8.931 -8.975 -0.044 40.34 HSO4- 1.174e-09 1.060e-09 -8.930 -8.975 -0.044 40.34
CaHSO4+ 1.667e-11 1.506e-11 -10.778 -10.822 -0.044 (0) CaHSO4+ 1.681e-11 1.519e-11 -10.774 -10.819 -0.044 (0)
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
@ -685,14 +685,14 @@ S(6) 2.351e-04
CH4(g) -140.75 -143.56 -2.80 CH4 CH4(g) -140.75 -143.56 -2.80 CH4
CO2(g) -1.50 -2.97 -1.47 CO2 Pressure 0.0 atm, phi 1.000 CO2(g) -1.50 -2.97 -1.47 CO2 Pressure 0.0 atm, phi 1.000
Dolomite 0.00 -17.08 -17.08 CaMg(CO3)2 Dolomite 0.00 -17.08 -17.08 CaMg(CO3)2
Epsomite -5.23 -6.97 -1.74 MgSO4:7H2O Epsomite -5.23 -6.96 -1.74 MgSO4:7H2O
Gypsum -2.26 -6.84 -4.58 CaSO4:2H2O Gypsum -2.26 -6.84 -4.58 CaSO4:2H2O
H2(g) -41.29 -44.39 -3.10 H2 H2(g) -41.29 -44.39 -3.10 H2
H2O(g) -1.50 -0.00 1.50 H2O H2O(g) -1.50 -0.00 1.50 H2O
H2S(g) -141.40 -149.34 -7.94 H2S H2S(g) -141.40 -149.34 -7.94 H2S
Halite -9.45 -7.88 1.57 NaCl Halite -9.45 -7.88 1.57 NaCl
Hexahydrite -5.40 -6.97 -1.57 MgSO4:6H2O Hexahydrite -5.40 -6.96 -1.57 MgSO4:6H2O
Kieserite -5.80 -6.97 -1.16 MgSO4:H2O Kieserite -5.80 -6.96 -1.16 MgSO4:H2O
Mirabilite -10.59 -11.83 -1.24 Na2SO4:10H2O Mirabilite -10.59 -11.83 -1.24 Na2SO4:10H2O
O2(g) -0.70 -3.59 -2.89 O2 O2(g) -0.70 -3.59 -2.89 O2
Sulfur -106.03 -101.15 4.88 S Sulfur -106.03 -101.15 4.88 S
@ -943,19 +943,19 @@ Using pure phase assemblage 1. Pure-phase assemblage after simulation 5.
Moles in assemblage Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta Phase SI log IAP log K(T, P) Initial Final Delta
Calcite -0.00 -8.48 -8.48 0.000e+00 0 0.000e+00 Calcite -0.01 -8.49 -8.48 0.000e+00 0 0.000e+00
Dolomite 0.00 -17.08 -17.08 1.569e+00 1.569e+00 3.059e-07 Dolomite 0.00 -17.08 -17.08 1.567e+00 1.567e+00 3.988e-07
------------------------------Surface composition------------------------------ ------------------------------Surface composition------------------------------
Diffuse Double Layer Surface-Complexation Model Diffuse Double Layer Surface-Complexation Model
Surf Surf
2.271e-03 Surface charge, eq 2.452e-03 Surface charge, eq
1.218e-02 sigma, C/m² 1.314e-02 sigma, C/m²
4.731e-02 psi, V 5.022e-02 psi, V
-1.842e+00 -F*psi/RT -1.955e+00 -F*psi/RT
1.586e-01 exp(-F*psi/RT) 1.416e-01 exp(-F*psi/RT)
6.000e+02 specific area, m²/g 6.000e+02 specific area, m²/g
1.800e+04 m² for 3.000e+01 g 1.800e+04 m² for 3.000e+01 g
@ -965,12 +965,12 @@ Surf
Mole Log Mole Log
Species Moles Fraction Molality Molality Species Moles Fraction Molality Molality
SurfOH 4.967e-02 0.710 4.967e-02 -1.304 SurfOH 5.085e-02 0.726 5.086e-02 -1.294
SurfOH2+ 1.376e-02 0.197 1.376e-02 -1.861 SurfOH2+ 1.263e-02 0.180 1.263e-02 -1.899
SurfO- 4.108e-03 0.059 4.108e-03 -2.386 SurfO- 4.692e-03 0.067 4.693e-03 -2.329
SurfOHAsO4-3 2.458e-03 0.035 2.458e-03 -2.609 SurfOHAsO4-3 1.826e-03 0.026 1.826e-03 -2.738
SurfHAsO4- 4.223e-06 0.000 4.223e-06 -5.374 SurfHAsO4- 2.521e-06 0.000 2.521e-06 -5.598
SurfH2AsO4 3.785e-08 0.000 3.785e-08 -7.422 SurfH2AsO4 2.025e-08 0.000 2.025e-08 -7.694
-----------------------------Exchange composition------------------------------ -----------------------------Exchange composition------------------------------
@ -979,114 +979,114 @@ X 1.000e+00 mol
Equiv- Equivalent Log Equiv- Equivalent Log
Species Moles alents Fraction Gamma Species Moles alents Fraction Gamma
CaX2 3.379e-01 6.758e-01 6.758e-01 -0.171 CaX2 3.368e-01 6.735e-01 6.735e-01 -0.171
MgX2 1.616e-01 3.232e-01 3.232e-01 -0.168 MgX2 1.628e-01 3.255e-01 3.255e-01 -0.168
NaX 9.561e-04 9.561e-04 9.561e-04 -0.043 NaX 9.536e-04 9.536e-04 9.536e-04 -0.043
-----------------------------Solution composition------------------------------ -----------------------------Solution composition------------------------------
Elements Molality Moles Elements Molality Moles
As 3.537e-10 3.537e-10 As 1.837e-10 1.837e-10
C 7.132e-03 7.132e-03 C 7.050e-03 7.050e-03
Ca 1.861e-03 1.861e-03 Ca 1.803e-03 1.803e-03
Cl 1.337e-04 1.337e-04 Cl 1.337e-04 1.337e-04
Mg 1.414e-03 1.414e-03 Mg 1.431e-03 1.431e-03
Na 1.227e-04 1.227e-04 Na 1.227e-04 1.227e-04
S 2.351e-04 2.351e-04 S 2.351e-04 2.351e-04
----------------------------Description of solution---------------------------- ----------------------------Description of solution----------------------------
pH = 7.048 Charge balance pH = 7.046 Charge balance
pe = 13.574 Adjusted to redox equilibrium pe = 13.576 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 603 Specific Conductance (µS/cm, 25°C) = 602
Density (g/cm³) = 0.99747 Density (g/cm³) = 0.99746
Volume (L) = 1.00305 Volume (L) = 1.00305
Viscosity (mPa s) = 0.89401 Viscosity (mPa s) = 0.89401
Activity of water = 1.000 Activity of water = 1.000
Ionic strength (mol/kgw) = 9.647e-03 Ionic strength (mol/kgw) = 9.645e-03
Mass of water (kg) = 9.999e-01 Mass of water (kg) = 9.999e-01
Total alkalinity (eq/kg) = 6.069e-03 Total alkalinity (eq/kg) = 5.987e-03
Total CO2 (mol/kg) = 7.132e-03 Total CO2 (mol/kg) = 7.050e-03
Temperature (°C) = 25.00 Temperature (°C) = 25.00
Electrical balance (eq) = 5.623e-09 Electrical balance (eq) = 7.167e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 13 Iterations = 11
Total H = 1.110125e+02 Total H = 1.110125e+02
Total O = 5.552498e+01 Total O = 5.552477e+01
----------------------------Distribution of species---------------------------- ----------------------------Distribution of species----------------------------
Log Log Log mole V Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol Species Molality Activity Molality Activity Gamma cm³/mol
OH- 1.253e-07 1.129e-07 -6.902 -6.947 -0.045 -4.04 OH- 1.248e-07 1.125e-07 -6.904 -6.949 -0.045 -4.04
H+ 9.797e-08 8.960e-08 -7.009 -7.048 -0.039 0.00 H+ 9.833e-08 8.993e-08 -7.007 -7.046 -0.039 0.00
H2O 5.551e+01 9.998e-01 1.744 -0.000 0.000 18.07 H2O 5.551e+01 9.998e-01 1.744 -0.000 0.000 18.07
As 3.537e-10 As 1.837e-10
HAsO4-2 2.207e-10 1.470e-10 -9.656 -9.833 -0.177 (0) HAsO4-2 1.145e-10 7.625e-11 -9.941 -10.118 -0.177 (0)
H2AsO4- 1.330e-10 1.201e-10 -9.876 -9.920 -0.044 (0) H2AsO4- 6.923e-11 6.254e-11 -10.160 -10.204 -0.044 (0)
AsO4-3 1.295e-14 5.188e-15 -13.888 -14.285 -0.397 (0) AsO4-3 6.692e-15 2.681e-15 -14.174 -14.572 -0.397 (0)
H3AsO4 1.866e-15 1.870e-15 -14.729 -14.728 0.001 (0) H3AsO4 9.752e-16 9.773e-16 -15.011 -15.010 0.001 (0)
C(-4) 0.000e+00 C(-4) 0.000e+00
CH4 0.000e+00 0.000e+00 -143.556 -143.555 0.001 35.46 CH4 0.000e+00 0.000e+00 -143.556 -143.555 0.001 35.46
C(4) 7.132e-03 C(4) 7.050e-03
HCO3- 5.894e-03 5.343e-03 -2.230 -2.272 -0.043 24.65 HCO3- 5.873e-03 5.324e-03 -2.231 -2.274 -0.043 24.65
CO2 1.075e-03 1.076e-03 -2.969 -2.968 0.001 34.43 CO2 1.075e-03 1.077e-03 -2.969 -2.968 0.001 34.43
CaHCO3+ 8.825e-05 8.012e-05 -4.054 -4.096 -0.042 9.72 MgHCO3+ 6.263e-05 5.655e-05 -4.203 -4.248 -0.044 5.53
MgHCO3+ 6.207e-05 5.605e-05 -4.207 -4.251 -0.044 5.53 CaHCO3+ 2.664e-05 2.418e-05 -4.574 -4.616 -0.042 122.69
CaCO3 5.510e-06 5.522e-06 -5.259 -5.258 0.001 -14.60 CaCO3 5.481e-06 5.493e-06 -5.261 -5.260 0.001 -14.60
CO3-2 4.142e-06 2.796e-06 -5.383 -5.553 -0.171 -3.67 CO3-2 4.113e-06 2.776e-06 -5.386 -5.557 -0.171 -3.67
MgCO3 2.387e-06 2.392e-06 -5.622 -5.621 0.001 -17.09 MgCO3 2.400e-06 2.405e-06 -5.620 -5.619 0.001 -17.09
NaHCO3 5.111e-07 5.134e-07 -6.291 -6.290 0.002 31.73 NaHCO3 5.093e-07 5.116e-07 -6.293 -6.291 0.002 31.73
(CO2)2 2.122e-08 2.127e-08 -7.673 -7.672 0.001 68.87 (CO2)2 2.123e-08 2.128e-08 -7.673 -7.672 0.001 68.87
Ca 1.861e-03 Ca 1.803e-03
Ca+2 1.742e-03 1.175e-03 -2.759 -2.930 -0.171 -17.93 Ca+2 1.746e-03 1.178e-03 -2.758 -2.929 -0.171 -17.93
CaHCO3+ 8.825e-05 8.012e-05 -4.054 -4.096 -0.042 9.72 CaHCO3+ 2.664e-05 2.418e-05 -4.574 -4.616 -0.042 122.69
CaSO4 2.535e-05 2.541e-05 -4.596 -4.595 0.001 7.50 CaSO4 2.536e-05 2.542e-05 -4.596 -4.595 0.001 7.50
CaCO3 5.510e-06 5.522e-06 -5.259 -5.258 0.001 -14.60 CaCO3 5.481e-06 5.493e-06 -5.261 -5.260 0.001 -14.60
CaOH+ 2.410e-09 2.177e-09 -8.618 -8.662 -0.044 (0) CaOH+ 2.405e-09 2.173e-09 -8.619 -8.663 -0.044 (0)
CaHSO4+ 1.657e-11 1.496e-11 -10.781 -10.825 -0.044 (0) CaHSO4+ 1.663e-11 1.502e-11 -10.779 -10.823 -0.044 (0)
Cl 1.337e-04 Cl 1.337e-04
Cl- 1.337e-04 1.206e-04 -3.874 -3.919 -0.045 18.14 Cl- 1.337e-04 1.206e-04 -3.874 -3.919 -0.045 18.14
HCl 3.688e-12 3.724e-12 -11.433 -11.429 0.004 (0) HCl 3.702e-12 3.737e-12 -11.432 -11.427 0.004 (0)
H(0) 0.000e+00 H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -44.395 -44.394 0.001 28.61 H2 0.000e+00 0.000e+00 -44.395 -44.394 0.001 28.61
Mg 1.414e-03 Mg 1.431e-03
Mg+2 1.321e-03 8.965e-04 -2.879 -3.047 -0.168 -21.62 Mg+2 1.337e-03 9.078e-04 -2.874 -3.042 -0.168 -21.62
MgHCO3+ 6.207e-05 5.605e-05 -4.207 -4.251 -0.044 5.53 MgHCO3+ 6.263e-05 5.655e-05 -4.203 -4.248 -0.044 5.53
MgSO4 2.841e-05 2.854e-05 -4.547 -4.545 0.002 -7.92 MgSO4 2.872e-05 2.885e-05 -4.542 -4.540 0.002 -7.92
MgCO3 2.387e-06 2.392e-06 -5.622 -5.621 0.001 -17.09 MgCO3 2.400e-06 2.405e-06 -5.620 -5.619 0.001 -17.09
MgOH+ 3.996e-08 3.632e-08 -7.398 -7.440 -0.041 (0) MgOH+ 4.031e-08 3.664e-08 -7.395 -7.436 -0.041 (0)
Mg(SO4)2-2 1.663e-08 1.143e-08 -7.779 -7.942 -0.163 6.69 Mg(SO4)2-2 1.678e-08 1.153e-08 -7.775 -7.938 -0.163 6.68
Na 1.227e-04 Na 1.227e-04
Na+ 1.219e-04 1.103e-04 -3.914 -3.957 -0.043 -1.38 Na+ 1.220e-04 1.103e-04 -3.914 -3.957 -0.043 -1.38
NaHCO3 5.111e-07 5.134e-07 -6.291 -6.290 0.002 31.73 NaHCO3 5.093e-07 5.116e-07 -6.293 -6.291 0.002 31.73
NaSO4- 2.408e-07 2.183e-07 -6.618 -6.661 -0.043 -15.24 NaSO4- 2.404e-07 2.180e-07 -6.619 -6.662 -0.043 -15.24
NaOH 1.243e-21 1.246e-21 -20.905 -20.904 0.001 (0) NaOH 1.239e-21 1.242e-21 -20.907 -20.906 0.001 (0)
O(0) 5.111e-04 O(0) 5.111e-04
O2 2.556e-04 2.561e-04 -3.593 -3.592 0.001 30.40 O2 2.556e-04 2.561e-04 -3.593 -3.592 0.001 30.40
S(-2) 0.000e+00 S(-2) 0.000e+00
HS- 0.000e+00 0.000e+00 -142.245 -142.290 -0.045 20.67 HS- 0.000e+00 0.000e+00 -142.244 -142.289 -0.045 20.67
H2S 0.000e+00 0.000e+00 -142.397 -142.396 0.001 36.27 H2S 0.000e+00 0.000e+00 -142.394 -142.393 0.001 36.27
S-2 0.000e+00 0.000e+00 -147.988 -148.160 -0.173 (0) S-2 0.000e+00 0.000e+00 -147.988 -148.161 -0.173 (0)
(H2S)2 0.000e+00 0.000e+00 -286.071 -286.070 0.001 30.09 (H2S)2 0.000e+00 0.000e+00 -286.066 -286.065 0.001 30.09
S(6) 2.351e-04 S(6) 2.351e-04
SO4-2 1.810e-04 1.216e-04 -3.742 -3.915 -0.173 17.83 SO4-2 1.807e-04 1.214e-04 -3.743 -3.916 -0.173 17.83
MgSO4 2.841e-05 2.854e-05 -4.547 -4.545 0.002 -7.92 MgSO4 2.872e-05 2.885e-05 -4.542 -4.540 0.002 -7.92
CaSO4 2.535e-05 2.541e-05 -4.596 -4.595 0.001 7.50 CaSO4 2.536e-05 2.542e-05 -4.596 -4.595 0.001 7.50
NaSO4- 2.408e-07 2.183e-07 -6.618 -6.661 -0.043 -15.24 NaSO4- 2.404e-07 2.180e-07 -6.619 -6.662 -0.043 -15.24
Mg(SO4)2-2 1.663e-08 1.143e-08 -7.779 -7.942 -0.163 6.69 Mg(SO4)2-2 1.678e-08 1.153e-08 -7.775 -7.938 -0.163 6.68
HSO4- 1.172e-09 1.059e-09 -8.931 -8.975 -0.044 40.34 HSO4- 1.175e-09 1.061e-09 -8.930 -8.974 -0.044 40.34
CaHSO4+ 1.657e-11 1.496e-11 -10.781 -10.825 -0.044 (0) CaHSO4+ 1.663e-11 1.502e-11 -10.779 -10.823 -0.044 (0)
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(298 K, 1 atm) Phase SI** log IAP log K(298 K, 1 atm)
Anhydrite -2.57 -6.84 -4.28 CaSO4 Anhydrite -2.57 -6.84 -4.28 CaSO4
Aragonite -0.15 -8.48 -8.34 CaCO3 Aragonite -0.15 -8.49 -8.34 CaCO3
Calcite -0.00 -8.48 -8.48 CaCO3 Calcite -0.01 -8.49 -8.48 CaCO3
CH4(g) -140.75 -143.55 -2.80 CH4 CH4(g) -140.75 -143.55 -2.80 CH4
CO2(g) -1.50 -2.97 -1.47 CO2 CO2(g) -1.50 -2.97 -1.47 CO2
Dolomite 0.00 -17.08 -17.08 CaMg(CO3)2 Dolomite 0.00 -17.08 -17.08 CaMg(CO3)2
@ -1096,7 +1096,7 @@ S(6) 2.351e-04
H2O(g) -1.50 -0.00 1.50 H2O H2O(g) -1.50 -0.00 1.50 H2O
H2S(g) -141.40 -149.34 -7.94 H2S H2S(g) -141.40 -149.34 -7.94 H2S
Halite -9.45 -7.88 1.57 NaCl Halite -9.45 -7.88 1.57 NaCl
Hexahydrite -5.40 -6.96 -1.57 MgSO4:6H2O Hexahydrite -5.39 -6.96 -1.57 MgSO4:6H2O
Kieserite -5.80 -6.96 -1.16 MgSO4:H2O Kieserite -5.80 -6.96 -1.16 MgSO4:H2O
Mirabilite -10.59 -11.83 -1.24 Na2SO4:10H2O Mirabilite -10.59 -11.83 -1.24 Na2SO4:10H2O
O2(g) -0.70 -3.59 -2.89 O2 O2(g) -0.70 -3.59 -2.89 O2

402
phreeqc3-examples/ex14.sel
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@ -1,202 +1,202 @@
step m_Ca m_Mg m_Na umol_As pH mmol_sorbedAs step m_Ca m_Mg m_Na umol_As pH mmol_sorbedAs
1 4.6311e-01 1.6336e-01 5.4020e+00 2.5000e-02 5.8810e+00 0.0000e+00 1 4.6224e-01 1.6417e-01 5.4020e+00 2.5000e-02 5.7200e+00 0.0000e+00
1 3.3982e-04 2.4501e-04 9.3753e-02 1.5319e-03 7.2305e+00 2.5031e+00 1 3.4012e-04 2.8376e-04 9.8893e-02 6.9061e-04 7.1604e+00 1.8502e+00
2 2.7841e-05 1.8927e-05 2.3197e-02 1.8488e-01 8.6742e+00 2.5029e+00 2 2.8798e-05 2.0914e-05 2.4017e-02 7.7563e-02 8.6169e+00 1.8501e+00
3 1.4871e-05 9.3459e-06 1.4410e-02 1.2141e+00 9.1757e+00 2.5017e+00 3 1.4730e-05 9.6045e-06 1.4376e-02 6.0687e-01 9.1600e+00 1.8495e+00
4 1.2989e-05 7.9525e-06 1.2379e-02 2.0465e+00 9.3176e+00 2.4996e+00 4 1.2797e-05 8.0657e-06 1.2262e-02 1.0664e+00 9.3111e+00 1.8485e+00
5 1.2586e-05 7.6552e-06 1.1597e-02 2.3837e+00 9.3589e+00 2.4972e+00 5 1.2388e-05 7.7402e-06 1.1473e-02 1.2555e+00 9.3547e+00 1.8472e+00
6 1.2614e-05 7.6785e-06 1.1209e-02 2.4314e+00 9.3635e+00 2.4948e+00 6 1.2412e-05 7.7568e-06 1.1090e-02 1.2842e+00 9.3600e+00 1.8459e+00
7 1.2816e-05 7.8309e-06 1.0979e-02 2.3487e+00 9.3532e+00 2.4925e+00 7 1.2606e-05 7.9080e-06 1.0866e-02 1.2413e+00 9.3499e+00 1.8447e+00
8 1.3101e-05 8.0448e-06 1.0819e-02 2.2165e+00 9.3364e+00 2.4902e+00 8 1.2879e-05 8.1219e-06 1.0710e-02 1.1714e+00 9.3334e+00 1.8435e+00
9 1.3431e-05 8.2921e-06 1.0692e-02 2.0706e+00 9.3171e+00 2.4882e+00 9 1.3195e-05 8.3693e-06 1.0588e-02 1.0944e+00 9.3143e+00 1.8424e+00
10 1.3789e-05 8.5605e-06 1.0584e-02 1.9262e+00 9.2967e+00 2.4863e+00 10 1.3537e-05 8.6376e-06 1.0483e-02 1.0181e+00 9.2942e+00 1.8414e+00
11 1.4169e-05 8.8445e-06 1.0486e-02 1.7887e+00 9.2760e+00 2.4845e+00 11 1.3899e-05 8.9215e-06 1.0388e-02 9.4559e-01 9.2738e+00 1.8405e+00
12 1.4566e-05 9.1422e-06 1.0396e-02 1.6601e+00 9.2553e+00 2.4828e+00 12 1.4278e-05 9.2189e-06 1.0300e-02 8.7770e-01 9.2533e+00 1.8396e+00
13 1.4981e-05 9.4529e-06 1.0312e-02 1.5405e+00 9.2346e+00 2.4813e+00 13 1.4674e-05 9.5292e-06 1.0218e-02 8.1456e-01 9.2330e+00 1.8388e+00
14 1.5413e-05 9.7768e-06 1.0232e-02 1.4295e+00 9.2141e+00 2.4798e+00 14 1.5086e-05 9.8526e-06 1.0139e-02 7.5594e-01 9.2127e+00 1.8380e+00
15 1.5863e-05 1.0114e-05 1.0156e-02 1.3265e+00 9.1937e+00 2.4785e+00 15 1.5516e-05 1.0190e-05 1.0065e-02 7.0154e-01 9.1925e+00 1.8373e+00
16 1.6333e-05 1.0466e-05 1.0083e-02 1.2309e+00 9.1734e+00 2.4773e+00 16 1.5964e-05 1.0541e-05 9.9941e-03 6.5104e-01 9.1725e+00 1.8367e+00
17 1.6823e-05 1.0834e-05 1.0014e-02 1.1422e+00 9.1532e+00 2.4761e+00 17 1.6431e-05 1.0908e-05 9.9263e-03 6.0413e-01 9.1525e+00 1.8361e+00
18 1.7335e-05 1.1217e-05 9.9480e-03 1.0598e+00 9.1331e+00 2.4751e+00 18 1.6919e-05 1.1291e-05 9.8615e-03 5.6054e-01 9.1325e+00 1.8355e+00
19 1.7870e-05 1.1618e-05 9.8848e-03 9.8312e-01 9.1130e+00 2.4741e+00 19 1.7429e-05 1.1691e-05 9.7994e-03 5.2000e-01 9.1127e+00 1.8350e+00
20 1.8430e-05 1.2037e-05 9.8243e-03 9.1184e-01 9.0929e+00 2.4732e+00 20 1.7963e-05 1.2109e-05 9.7399e-03 4.8229e-01 9.0928e+00 1.8345e+00
21 1.9015e-05 1.2476e-05 9.7662e-03 8.4551e-01 9.0729e+00 2.4723e+00 21 1.8521e-05 1.2547e-05 9.6827e-03 4.4720e-01 9.0729e+00 1.8340e+00
22 1.9628e-05 1.2936e-05 9.7104e-03 7.8377e-01 9.0528e+00 2.4716e+00 22 1.9106e-05 1.3006e-05 9.6278e-03 4.1452e-01 9.0531e+00 1.8336e+00
23 2.0271e-05 1.3417e-05 9.6568e-03 7.2629e-01 9.0328e+00 2.4708e+00 23 1.9719e-05 1.3487e-05 9.5749e-03 3.8410e-01 9.0332e+00 1.8332e+00
24 2.0946e-05 1.3923e-05 9.6051e-03 6.7276e-01 9.0127e+00 2.4702e+00 24 2.0362e-05 1.3991e-05 9.5240e-03 3.5576e-01 9.0133e+00 1.8329e+00
25 2.1654e-05 1.4453e-05 9.5553e-03 6.2290e-01 8.9926e+00 2.4695e+00 25 2.1037e-05 1.4521e-05 9.4749e-03 3.2937e-01 8.9934e+00 1.8326e+00
26 2.2398e-05 1.5011e-05 9.5073e-03 5.7646e-01 8.9724e+00 2.4690e+00 26 2.1746e-05 1.5077e-05 9.4275e-03 3.0479e-01 8.9733e+00 1.8323e+00
27 2.3180e-05 1.5597e-05 9.4609e-03 5.3321e-01 8.9522e+00 2.4684e+00 27 2.2492e-05 1.5662e-05 9.3817e-03 2.8190e-01 8.9533e+00 1.8320e+00
28 2.4003e-05 1.6214e-05 9.4160e-03 4.9293e-01 8.9319e+00 2.4679e+00 28 2.3276e-05 1.6277e-05 9.3374e-03 2.6057e-01 8.9331e+00 1.8317e+00
29 2.4869e-05 1.6863e-05 9.3725e-03 4.5542e-01 8.9115e+00 2.4675e+00 29 2.4102e-05 1.6925e-05 9.2944e-03 2.4072e-01 8.9128e+00 1.8315e+00
30 2.5782e-05 1.7548e-05 9.3303e-03 4.2050e-01 8.8910e+00 2.4671e+00 30 2.4972e-05 1.7607e-05 9.2528e-03 2.2224e-01 8.8925e+00 1.8313e+00
31 2.6746e-05 1.8269e-05 9.2894e-03 3.8799e-01 8.8704e+00 2.4667e+00 31 2.5890e-05 1.8327e-05 9.2123e-03 2.0503e-01 8.8720e+00 1.8310e+00
32 2.7762e-05 1.9031e-05 9.2497e-03 3.5775e-01 8.8496e+00 2.4663e+00 32 2.6858e-05 1.9087e-05 9.1730e-03 1.8903e-01 8.8514e+00 1.8309e+00
33 2.8836e-05 1.9836e-05 9.2109e-03 3.2961e-01 8.8288e+00 2.4660e+00 33 2.7881e-05 1.9889e-05 9.1347e-03 1.7414e-01 8.8307e+00 1.8307e+00
34 2.9971e-05 2.0687e-05 9.1732e-03 3.0345e-01 8.8078e+00 2.4657e+00 34 2.8963e-05 2.0738e-05 9.0973e-03 1.6030e-01 8.8098e+00 1.8305e+00
35 3.1172e-05 2.1587e-05 9.1363e-03 2.7914e-01 8.7866e+00 2.4654e+00 35 3.0107e-05 2.1635e-05 9.0608e-03 1.4744e-01 8.7887e+00 1.8304e+00
36 3.2444e-05 2.2540e-05 9.1003e-03 2.5656e-01 8.7653e+00 2.4651e+00 36 3.1318e-05 2.2585e-05 9.0251e-03 1.3549e-01 8.7675e+00 1.8302e+00
37 3.3792e-05 2.3551e-05 9.0650e-03 2.3559e-01 8.7438e+00 2.4649e+00 37 3.2602e-05 2.3592e-05 8.9902e-03 1.2440e-01 8.7461e+00 1.8301e+00
38 3.5222e-05 2.4622e-05 9.0303e-03 2.1614e-01 8.7221e+00 2.4647e+00 38 3.3964e-05 2.4659e-05 8.9558e-03 1.1412e-01 8.7246e+00 1.8300e+00
39 3.6740e-05 2.5760e-05 8.9962e-03 1.9810e-01 8.7002e+00 2.4645e+00 39 3.5409e-05 2.5793e-05 8.9221e-03 1.0458e-01 8.7028e+00 1.8299e+00
40 3.8353e-05 2.6969e-05 8.9626e-03 1.8138e-01 8.6781e+00 2.4643e+00 40 3.6945e-05 2.6997e-05 8.8888e-03 9.5744e-02 8.6808e+00 1.8298e+00
41 4.0068e-05 2.8254e-05 8.9294e-03 1.6591e-01 8.6558e+00 2.4641e+00 41 3.8578e-05 2.8278e-05 8.8559e-03 8.7564e-02 8.6586e+00 1.8297e+00
42 4.1894e-05 2.9623e-05 8.8965e-03 1.5159e-01 8.6333e+00 2.4640e+00 42 4.0316e-05 2.9641e-05 8.8234e-03 7.9998e-02 8.6362e+00 1.8296e+00
43 4.3840e-05 3.1081e-05 8.8639e-03 1.3835e-01 8.6105e+00 2.4638e+00 43 4.2168e-05 3.1093e-05 8.7911e-03 7.3004e-02 8.6136e+00 1.8296e+00
44 4.5915e-05 3.2636e-05 8.8314e-03 1.2613e-01 8.5875e+00 2.4637e+00 44 4.4143e-05 3.2641e-05 8.7589e-03 6.6546e-02 8.5907e+00 1.8295e+00
45 4.8130e-05 3.4296e-05 8.7990e-03 1.1485e-01 8.5643e+00 2.4636e+00 45 4.6251e-05 3.4294e-05 8.7268e-03 6.0588e-02 8.5675e+00 1.8294e+00
46 5.0496e-05 3.6070e-05 8.7665e-03 1.0445e-01 8.5407e+00 2.4635e+00 46 4.8503e-05 3.6060e-05 8.6947e-03 5.5097e-02 8.5441e+00 1.8294e+00
47 5.3028e-05 3.7968e-05 8.7339e-03 9.4876e-02 8.5169e+00 2.4634e+00 47 5.0912e-05 3.7949e-05 8.6625e-03 5.0041e-02 8.5204e+00 1.8293e+00
48 5.5738e-05 3.9999e-05 8.7011e-03 8.6070e-02 8.4928e+00 2.4633e+00 48 5.3491e-05 3.9971e-05 8.6300e-03 4.5392e-02 8.4964e+00 1.8293e+00
49 5.8643e-05 4.2176e-05 8.6679e-03 7.7978e-02 8.4685e+00 2.4632e+00 49 5.6256e-05 4.2138e-05 8.5972e-03 4.1120e-02 8.4721e+00 1.8292e+00
50 6.1760e-05 4.4512e-05 8.6342e-03 7.0553e-02 8.4438e+00 2.4632e+00 50 5.9221e-05 4.4462e-05 8.5640e-03 3.7201e-02 8.4475e+00 1.8292e+00
51 6.5107e-05 4.7021e-05 8.6000e-03 6.3747e-02 8.4188e+00 2.4631e+00 51 6.2406e-05 4.6958e-05 8.5301e-03 3.3609e-02 8.4226e+00 1.8292e+00
52 6.8705e-05 4.9718e-05 8.5650e-03 5.7517e-02 8.3935e+00 2.4631e+00 52 6.5830e-05 4.9642e-05 8.4956e-03 3.0322e-02 8.3973e+00 1.8291e+00
53 7.2578e-05 5.2621e-05 8.5292e-03 5.1822e-02 8.3678e+00 2.4630e+00 53 6.9514e-05 5.2529e-05 8.4602e-03 2.7317e-02 8.3718e+00 1.8291e+00
54 7.6750e-05 5.5748e-05 8.4923e-03 4.6624e-02 8.3418e+00 2.4630e+00 54 7.3485e-05 5.5640e-05 8.4238e-03 2.4574e-02 8.3459e+00 1.8291e+00
55 8.1250e-05 5.9121e-05 8.4542e-03 4.1886e-02 8.3155e+00 2.4629e+00 55 7.7766e-05 5.8996e-05 8.3863e-03 2.2075e-02 8.3196e+00 1.8291e+00
56 8.6108e-05 6.2763e-05 8.4147e-03 3.7574e-02 8.2888e+00 2.4629e+00 56 8.2389e-05 6.2618e-05 8.3474e-03 1.9801e-02 8.2930e+00 1.8290e+00
57 9.1359e-05 6.6699e-05 8.3737e-03 3.3655e-02 8.2617e+00 2.4628e+00 57 8.7386e-05 6.6532e-05 8.3070e-03 1.7734e-02 8.2660e+00 1.8290e+00
58 9.7040e-05 7.0957e-05 8.3308e-03 3.0101e-02 8.2343e+00 2.4628e+00 58 9.2793e-05 7.0768e-05 8.2648e-03 1.5859e-02 8.2386e+00 1.8290e+00
59 1.0319e-04 7.5569e-05 8.2860e-03 2.6881e-02 8.2065e+00 2.4628e+00 59 9.8649e-05 7.5354e-05 8.2207e-03 1.4162e-02 8.2109e+00 1.8290e+00
60 1.0986e-04 8.0568e-05 8.2388e-03 2.3971e-02 8.1784e+00 2.4628e+00 60 1.0500e-04 8.0327e-05 8.1743e-03 1.2627e-02 8.1828e+00 1.8290e+00
61 1.1710e-04 8.5993e-05 8.1891e-03 2.1344e-02 8.1498e+00 2.4627e+00 61 1.1189e-04 8.5723e-05 8.1255e-03 1.1242e-02 8.1543e+00 1.8290e+00
62 1.2496e-04 9.1886e-05 8.1366e-03 1.8978e-02 8.1209e+00 2.4627e+00 62 1.1938e-04 9.1584e-05 8.0738e-03 9.9950e-03 8.1254e+00 1.8290e+00
63 1.3350e-04 9.8292e-05 8.0809e-03 1.6851e-02 8.0916e+00 2.4627e+00 63 1.2751e-04 9.7956e-05 8.0191e-03 8.8736e-03 8.0962e+00 1.8290e+00
64 1.4280e-04 1.0526e-04 8.0217e-03 1.4942e-02 8.0620e+00 2.4627e+00 64 1.3637e-04 1.0489e-04 7.9610e-03 7.8674e-03 8.0666e+00 1.8289e+00
65 1.5292e-04 1.1285e-04 7.9586e-03 1.3233e-02 8.0320e+00 2.4627e+00 65 1.4602e-04 1.1244e-04 7.8991e-03 6.9663e-03 8.0366e+00 1.8289e+00
66 1.6395e-04 1.2111e-04 7.8912e-03 1.1705e-02 8.0016e+00 2.4627e+00 66 1.5653e-04 1.2066e-04 7.8330e-03 6.1611e-03 8.0062e+00 1.8289e+00
67 1.7596e-04 1.3012e-04 7.8192e-03 1.0342e-02 7.9709e+00 2.4627e+00 67 1.6799e-04 1.2963e-04 7.7623e-03 5.4429e-03 7.9756e+00 1.8289e+00
68 1.8907e-04 1.3994e-04 7.7420e-03 9.1295e-03 7.9399e+00 2.4626e+00 68 1.8049e-04 1.3940e-04 7.6865e-03 4.8037e-03 7.9446e+00 1.8289e+00
69 2.0336e-04 1.5066e-04 7.6592e-03 8.0524e-03 7.9087e+00 2.4626e+00 69 1.9413e-04 1.5007e-04 7.6053e-03 4.2361e-03 7.9133e+00 1.8289e+00
70 2.1894e-04 1.6234e-04 7.5703e-03 7.0978e-03 7.8771e+00 2.4626e+00 70 2.0902e-04 1.6170e-04 7.5180e-03 3.7330e-03 7.8817e+00 1.8289e+00
71 2.3593e-04 1.7508e-04 7.4748e-03 6.2535e-03 7.8454e+00 2.4626e+00 71 2.2526e-04 1.7439e-04 7.4242e-03 3.2880e-03 7.8499e+00 1.8289e+00
72 2.5446e-04 1.8897e-04 7.3722e-03 5.5084e-03 7.8135e+00 2.4626e+00 72 2.4297e-04 1.8823e-04 7.3235e-03 2.8954e-03 7.8180e+00 1.8289e+00
73 2.7463e-04 2.0409e-04 7.2618e-03 4.8521e-03 7.7814e+00 2.4626e+00 73 2.6228e-04 2.0331e-04 7.2151e-03 2.5496e-03 7.7859e+00 1.8289e+00
74 2.9659e-04 2.2055e-04 7.1434e-03 4.2752e-03 7.7493e+00 2.4626e+00 74 2.8331e-04 2.1973e-04 7.0987e-03 2.2456e-03 7.7537e+00 1.8289e+00
75 3.2045e-04 2.3845e-04 7.0162e-03 3.7691e-03 7.7172e+00 2.4626e+00 75 3.0619e-04 2.3759e-04 6.9737e-03 1.9790e-03 7.7214e+00 1.8289e+00
76 3.4635e-04 2.5786e-04 6.8800e-03 3.3259e-03 7.6851e+00 2.4626e+00 76 3.3104e-04 2.5698e-04 6.8397e-03 1.7456e-03 7.6893e+00 1.8289e+00
77 3.7440e-04 2.7889e-04 6.7342e-03 2.9386e-03 7.6532e+00 2.4626e+00 77 3.5798e-04 2.7798e-04 6.6963e-03 1.5416e-03 7.6572e+00 1.8289e+00
78 4.0470e-04 3.0161e-04 6.5786e-03 2.6006e-03 7.6215e+00 2.4626e+00 78 3.8711e-04 3.0069e-04 6.5431e-03 1.3636e-03 7.6254e+00 1.8289e+00
79 4.3734e-04 3.2608e-04 6.4130e-03 2.3060e-03 7.5901e+00 2.4626e+00 79 4.1854e-04 3.2518e-04 6.3799e-03 1.2085e-03 7.5938e+00 1.8289e+00
80 4.7239e-04 3.5236e-04 6.2372e-03 2.0498e-03 7.5592e+00 2.4626e+00 80 4.5223e-04 3.5158e-04 6.2066e-03 1.0736e-03 7.5627e+00 1.8289e+00
81 5.0989e-04 3.8047e-04 6.0514e-03 1.8271e-03 7.5287e+00 2.4626e+00 81 4.8765e-04 3.8060e-04 6.0223e-03 9.5591e-04 7.5319e+00 1.8289e+00
82 5.4982e-04 4.1041e-04 5.8558e-03 1.6337e-03 7.4988e+00 2.4626e+00 82 5.2542e-04 4.1158e-04 5.8285e-03 8.5381e-04 7.5017e+00 1.8289e+00
83 5.9216e-04 4.4215e-04 5.6508e-03 1.4660e-03 7.4697e+00 2.4626e+00 83 5.6547e-04 4.4448e-04 5.6253e-03 7.6535e-04 7.4722e+00 1.8289e+00
84 6.3681e-04 4.7562e-04 5.4371e-03 1.3206e-03 7.4413e+00 2.4626e+00 84 6.0773e-04 4.7922e-04 5.4134e-03 6.8877e-04 7.4435e+00 1.8289e+00
85 6.8364e-04 5.1072e-04 5.2154e-03 1.1946e-03 7.4138e+00 2.4626e+00 85 6.5205e-04 5.1570e-04 5.1935e-03 6.2251e-04 7.4157e+00 1.8289e+00
86 7.3244e-04 5.4730e-04 4.9870e-03 1.0855e-03 7.3873e+00 2.4626e+00 86 6.9826e-04 5.5377e-04 4.9668e-03 5.6518e-04 7.3888e+00 1.8289e+00
87 7.8274e-04 5.8543e-04 4.7528e-03 9.9091e-04 7.3618e+00 2.4626e+00 87 7.4613e-04 5.9324e-04 4.7345e-03 5.1559e-04 7.3631e+00 1.8289e+00
88 8.3380e-04 6.2532e-04 4.5141e-03 9.0878e-04 7.3374e+00 2.4626e+00 88 7.9538e-04 6.3387e-04 4.4979e-03 4.7268e-04 7.3385e+00 1.8289e+00
89 8.8593e-04 6.6610e-04 4.2730e-03 8.3762e-04 7.3142e+00 2.4626e+00 89 8.4568e-04 6.7540e-04 4.2586e-03 4.3553e-04 7.3150e+00 1.8289e+00
90 9.3873e-04 7.0745e-04 4.0310e-03 7.7596e-04 7.2921e+00 2.4626e+00 90 8.9670e-04 7.1753e-04 4.0183e-03 4.0336e-04 7.2928e+00 1.8289e+00
91 9.9182e-04 7.4907e-04 3.7899e-03 7.2250e-04 7.2714e+00 2.4626e+00 91 9.4805e-04 7.5995e-04 3.7788e-03 3.7548e-04 7.2719e+00 1.8289e+00
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181 1.8596e-03 1.4154e-03 1.2282e-04 3.5368e-04 7.0477e+00 2.4625e+00 181 1.8001e-03 1.4339e-03 1.2282e-04 1.8370e-04 7.0461e+00 1.8289e+00
182 1.8597e-03 1.4153e-03 1.2281e-04 3.5368e-04 7.0477e+00 2.4625e+00 182 1.8002e-03 1.4338e-03 1.2281e-04 1.8370e-04 7.0461e+00 1.8289e+00
183 1.8598e-03 1.4152e-03 1.2279e-04 3.5368e-04 7.0477e+00 2.4625e+00 183 1.8004e-03 1.4336e-03 1.2279e-04 1.8370e-04 7.0461e+00 1.8289e+00
184 1.8599e-03 1.4151e-03 1.2278e-04 3.5369e-04 7.0477e+00 2.4625e+00 184 1.8006e-03 1.4335e-03 1.2278e-04 1.8370e-04 7.0461e+00 1.8289e+00
185 1.8600e-03 1.4150e-03 1.2277e-04 3.5369e-04 7.0477e+00 2.4625e+00 185 1.8008e-03 1.4333e-03 1.2277e-04 1.8371e-04 7.0461e+00 1.8289e+00
186 1.8601e-03 1.4149e-03 1.2276e-04 3.5369e-04 7.0477e+00 2.4625e+00 186 1.8009e-03 1.4331e-03 1.2276e-04 1.8371e-04 7.0461e+00 1.8289e+00
187 1.8602e-03 1.4148e-03 1.2275e-04 3.5369e-04 7.0477e+00 2.4625e+00 187 1.8011e-03 1.4330e-03 1.2275e-04 1.8371e-04 7.0461e+00 1.8289e+00
188 1.8603e-03 1.4147e-03 1.2274e-04 3.5369e-04 7.0477e+00 2.4625e+00 188 1.8013e-03 1.4328e-03 1.2275e-04 1.8371e-04 7.0461e+00 1.8289e+00
189 1.8604e-03 1.4146e-03 1.2274e-04 3.5370e-04 7.0477e+00 2.4625e+00 189 1.8014e-03 1.4327e-03 1.2274e-04 1.8371e-04 7.0461e+00 1.8289e+00
190 1.8605e-03 1.4145e-03 1.2273e-04 3.5370e-04 7.0477e+00 2.4625e+00 190 1.8016e-03 1.4325e-03 1.2273e-04 1.8371e-04 7.0461e+00 1.8289e+00
191 1.8606e-03 1.4145e-03 1.2272e-04 3.5370e-04 7.0477e+00 2.4625e+00 191 1.8018e-03 1.4324e-03 1.2273e-04 1.8372e-04 7.0461e+00 1.8289e+00
192 1.8607e-03 1.4144e-03 1.2272e-04 3.5370e-04 7.0477e+00 2.4625e+00 192 1.8019e-03 1.4322e-03 1.2272e-04 1.8372e-04 7.0461e+00 1.8289e+00
193 1.8608e-03 1.4143e-03 1.2271e-04 3.5371e-04 7.0477e+00 2.4625e+00 193 1.8021e-03 1.4321e-03 1.2272e-04 1.8372e-04 7.0461e+00 1.8289e+00
194 1.8609e-03 1.4142e-03 1.2271e-04 3.5371e-04 7.0477e+00 2.4625e+00 194 1.8022e-03 1.4319e-03 1.2272e-04 1.8372e-04 7.0461e+00 1.8289e+00
195 1.8610e-03 1.4141e-03 1.2271e-04 3.5371e-04 7.0477e+00 2.4625e+00 195 1.8024e-03 1.4318e-03 1.2271e-04 1.8372e-04 7.0461e+00 1.8289e+00
196 1.8611e-03 1.4140e-03 1.2270e-04 3.5371e-04 7.0477e+00 2.4625e+00 196 1.8025e-03 1.4316e-03 1.2271e-04 1.8373e-04 7.0461e+00 1.8289e+00
197 1.8612e-03 1.4139e-03 1.2270e-04 3.5372e-04 7.0477e+00 2.4625e+00 197 1.8027e-03 1.4315e-03 1.2271e-04 1.8373e-04 7.0461e+00 1.8289e+00
198 1.8613e-03 1.4138e-03 1.2270e-04 3.5372e-04 7.0477e+00 2.4625e+00 198 1.8028e-03 1.4313e-03 1.2270e-04 1.8373e-04 7.0461e+00 1.8289e+00
199 1.8614e-03 1.4137e-03 1.2270e-04 3.5372e-04 7.0477e+00 2.4625e+00 199 1.8030e-03 1.4312e-03 1.2270e-04 1.8373e-04 7.0461e+00 1.8289e+00
200 1.8615e-03 1.4137e-03 1.2270e-04 3.5372e-04 7.0477e+00 2.4625e+00 200 1.8032e-03 1.4310e-03 1.2270e-04 1.8373e-04 7.0461e+00 1.8289e+00

180
phreeqc3-examples/ex16.out
View File

@ -13,7 +13,7 @@ Reading data base.
EXCHANGE_SPECIES EXCHANGE_SPECIES
SURFACE_MASTER_SPECIES SURFACE_MASTER_SPECIES
SURFACE_SPECIES SURFACE_SPECIES
CALCULATE_VALUES MEAN_GAMMAS
RATES RATES
END END
------------------------------------ ------------------------------------
@ -84,14 +84,14 @@ Initial solution 1.
Volume (L) = 1.00300 Volume (L) = 1.00300
Viscosity (mPa s) = 0.89038 Viscosity (mPa s) = 0.89038
Activity of water = 1.000 Activity of water = 1.000
Ionic strength (mol/kgw) = 4.851e-04 Ionic strength (mol/kgw) = 4.855e-04
Mass of water (kg) = 1.000e+00 Mass of water (kg) = 1.000e+00
Total carbon (mol/kg) = 7.825e-04 Total carbon (mol/kg) = 7.828e-04
Total CO2 (mol/kg) = 7.825e-04 Total CO2 (mol/kg) = 7.828e-04
Temperature (°C) = 25.00 Temperature (°C) = 25.00
Electrical balance (eq) = 1.400e-05 Electrical balance (eq) = 1.400e-05
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 1.90 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 1.90
Iterations = 7 Iterations = 8
Total H = 1.110139e+02 Total H = 1.110139e+02
Total O = 5.550924e+01 Total O = 5.550924e+01
@ -103,24 +103,24 @@ Initial solution 1.
H+ 6.465e-07 6.310e-07 -6.189 -6.200 -0.011 0.00 H+ 6.465e-07 6.310e-07 -6.189 -6.200 -0.011 0.00
OH- 1.645e-08 1.604e-08 -7.784 -7.795 -0.011 -4.12 OH- 1.645e-08 1.604e-08 -7.784 -7.795 -0.011 -4.12
H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07 H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07
C(4) 7.825e-04 C(4) 7.828e-04
CO2 4.540e-04 4.540e-04 -3.343 -3.343 0.000 34.43 CO2 4.542e-04 4.543e-04 -3.343 -3.343 0.000 34.43
HCO3- 3.281e-04 3.200e-04 -3.484 -3.495 -0.011 24.57 HCO3- 3.283e-04 3.202e-04 -3.484 -3.495 -0.011 24.57
CaHCO3+ 2.940e-07 2.868e-07 -6.532 -6.542 -0.011 9.66 MgHCO3+ 1.003e-07 9.784e-08 -6.999 -7.009 -0.011 5.47
MgHCO3+ 1.003e-07 9.778e-08 -6.999 -7.010 -0.011 5.47 CaHCO3+ 8.916e-08 8.698e-08 -7.050 -7.061 -0.011 122.63
NaHCO3 3.640e-08 3.641e-08 -7.439 -7.439 0.000 31.73 NaHCO3 3.643e-08 3.643e-08 -7.439 -7.438 0.000 31.73
CO3-2 2.628e-08 2.379e-08 -7.580 -7.624 -0.043 -3.97 CO3-2 2.629e-08 2.380e-08 -7.580 -7.623 -0.043 -3.97
KHCO3 3.902e-09 3.902e-09 -8.409 -8.409 0.000 41.03 KHCO3 3.904e-09 3.904e-09 -8.408 -8.408 0.000 41.03
(CO2)2 3.783e-09 3.783e-09 -8.422 -8.422 0.000 68.87 (CO2)2 3.787e-09 3.788e-09 -8.422 -8.422 0.000 68.87
CaCO3 2.806e-09 2.806e-09 -8.552 -8.552 0.000 -14.60 CaCO3 2.815e-09 2.815e-09 -8.550 -8.550 0.000 -14.60
MgCO3 5.927e-10 5.927e-10 -9.227 -9.227 0.000 -17.09 MgCO3 5.930e-10 5.931e-10 -9.227 -9.227 0.000 -17.09
Ca 7.800e-05 Ca 7.800e-05
Ca+2 7.760e-05 7.023e-05 -4.110 -4.153 -0.043 -18.17 Ca+2 7.780e-05 7.042e-05 -4.109 -4.152 -0.043 -18.17
CaHCO3+ 2.940e-07 2.868e-07 -6.532 -6.542 -0.011 9.66 CaSO4 1.111e-07 1.111e-07 -6.954 -6.954 0.000 7.50
CaSO4 1.108e-07 1.108e-07 -6.955 -6.955 0.000 7.50 CaHCO3+ 8.916e-08 8.698e-08 -7.050 -7.061 -0.011 122.63
CaCO3 2.806e-09 2.806e-09 -8.552 -8.552 0.000 -14.60 CaCO3 2.815e-09 2.815e-09 -8.550 -8.550 0.000 -14.60
CaOH+ 1.894e-11 1.847e-11 -10.723 -10.733 -0.011 (0) CaOH+ 1.899e-11 1.852e-11 -10.721 -10.732 -0.011 (0)
CaHSO4+ 4.713e-13 4.596e-13 -12.327 -12.338 -0.011 (0) CaHSO4+ 4.725e-13 4.608e-13 -12.326 -12.337 -0.011 (0)
Cl 1.400e-05 Cl 1.400e-05
Cl- 1.400e-05 1.365e-05 -4.854 -4.865 -0.011 18.07 Cl- 1.400e-05 1.365e-05 -4.854 -4.865 -0.011 18.07
HCl 2.966e-12 2.967e-12 -11.528 -11.528 0.000 (0) HCl 2.966e-12 2.967e-12 -11.528 -11.528 0.000 (0)
@ -128,31 +128,31 @@ H(0) 5.636e-24
H2 2.818e-24 2.818e-24 -23.550 -23.550 0.000 28.61 H2 2.818e-24 2.818e-24 -23.550 -23.550 0.000 28.61
K 2.800e-05 K 2.800e-05
K+ 2.799e-05 2.730e-05 -4.553 -4.564 -0.011 9.00 K+ 2.799e-05 2.730e-05 -4.553 -4.564 -0.011 9.00
KHCO3 3.902e-09 3.902e-09 -8.409 -8.409 0.000 41.03 KHCO3 3.904e-09 3.904e-09 -8.408 -8.408 0.000 41.03
KSO4- 3.777e-09 3.685e-09 -8.423 -8.434 -0.011 14.13 KSO4- 3.777e-09 3.685e-09 -8.423 -8.434 -0.011 14.13
Mg 2.900e-05 Mg 2.900e-05
Mg+2 2.884e-05 2.611e-05 -4.540 -4.583 -0.043 -21.86 Mg+2 2.884e-05 2.611e-05 -4.540 -4.583 -0.043 -21.86
MgHCO3+ 1.003e-07 9.778e-08 -6.999 -7.010 -0.011 5.47 MgHCO3+ 1.003e-07 9.784e-08 -6.999 -7.009 -0.011 5.47
MgSO4 6.066e-08 6.067e-08 -7.217 -7.217 0.000 -7.92 MgSO4 6.065e-08 6.066e-08 -7.217 -7.217 0.000 -7.92
MgCO3 5.927e-10 5.927e-10 -9.227 -9.227 0.000 -17.09 MgCO3 5.930e-10 5.931e-10 -9.227 -9.227 0.000 -17.09
MgOH+ 1.540e-10 1.503e-10 -9.812 -9.823 -0.011 (0) MgOH+ 1.540e-10 1.503e-10 -9.812 -9.823 -0.011 (0)
Mg(SO4)2-2 1.957e-12 1.773e-12 -11.709 -11.751 -0.043 -8.04 Mg(SO4)2-2 1.956e-12 1.773e-12 -11.709 -11.751 -0.043 -8.04
Na 1.340e-04 Na 1.340e-04
Na+ 1.339e-04 1.306e-04 -3.873 -3.884 -0.011 -1.49 Na+ 1.339e-04 1.306e-04 -3.873 -3.884 -0.011 -1.49
NaHCO3 3.640e-08 3.641e-08 -7.439 -7.439 0.000 31.73 NaHCO3 3.643e-08 3.643e-08 -7.439 -7.438 0.000 31.73
NaSO4- 1.934e-08 1.887e-08 -7.713 -7.724 -0.011 -22.22 NaSO4- 1.934e-08 1.887e-08 -7.713 -7.724 -0.011 -22.22
NaOH 2.095e-22 2.096e-22 -21.679 -21.679 0.000 (0) NaOH 2.095e-22 2.096e-22 -21.679 -21.679 0.000 (0)
O(0) 0.000e+00 O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -45.280 -45.280 0.000 30.40 O2 0.000e+00 0.000e+00 -45.280 -45.280 0.000 30.40
S(6) 1.000e-05 S(6) 1.000e-05
SO4-2 9.805e-06 8.873e-06 -5.009 -5.052 -0.043 15.25 SO4-2 9.805e-06 8.872e-06 -5.009 -5.052 -0.043 15.25
CaSO4 1.108e-07 1.108e-07 -6.955 -6.955 0.000 7.50 CaSO4 1.111e-07 1.111e-07 -6.954 -6.954 0.000 7.50
MgSO4 6.066e-08 6.067e-08 -7.217 -7.217 0.000 -7.92 MgSO4 6.065e-08 6.066e-08 -7.217 -7.217 0.000 -7.92
NaSO4- 1.934e-08 1.887e-08 -7.713 -7.724 -0.011 -22.22 NaSO4- 1.934e-08 1.887e-08 -7.713 -7.724 -0.011 -22.22
KSO4- 3.777e-09 3.685e-09 -8.423 -8.434 -0.011 14.13 KSO4- 3.777e-09 3.685e-09 -8.423 -8.434 -0.011 14.13
HSO4- 5.582e-10 5.443e-10 -9.253 -9.264 -0.011 40.27 HSO4- 5.581e-10 5.443e-10 -9.253 -9.264 -0.011 40.27
Mg(SO4)2-2 1.957e-12 1.773e-12 -11.709 -11.751 -0.043 -8.04 Mg(SO4)2-2 1.956e-12 1.773e-12 -11.709 -11.751 -0.043 -8.04
CaHSO4+ 4.713e-13 4.596e-13 -12.327 -12.338 -0.011 (0) CaHSO4+ 4.725e-13 4.608e-13 -12.326 -12.337 -0.011 (0)
Si 2.730e-04 Si 2.730e-04
H4SiO4 2.729e-04 2.730e-04 -3.564 -3.564 0.000 52.08 H4SiO4 2.729e-04 2.730e-04 -3.564 -3.564 0.000 52.08
H3SiO4- 6.542e-08 6.379e-08 -7.184 -7.195 -0.011 27.96 H3SiO4- 6.542e-08 6.379e-08 -7.184 -7.195 -0.011 27.96
@ -162,7 +162,7 @@ Si 2.730e-04
Phase SI** log IAP log K(298 K, 1 atm) Phase SI** log IAP log K(298 K, 1 atm)
Anhydrite -4.93 -9.21 -4.28 CaSO4 Anhydrite -4.93 -9.20 -4.28 CaSO4
Aragonite -3.44 -11.78 -8.34 CaCO3 Aragonite -3.44 -11.78 -8.34 CaCO3
Arcanite -12.30 -14.18 -1.88 K2SO4 Arcanite -12.30 -14.18 -1.88 K2SO4
Calcite -3.30 -11.78 -8.48 CaCO3 Calcite -3.30 -11.78 -8.48 CaCO3
@ -171,7 +171,7 @@ Si 2.730e-04
CO2(g) -1.87 -3.34 -1.47 CO2 CO2(g) -1.87 -3.34 -1.47 CO2
Dolomite -6.90 -23.98 -17.08 CaMg(CO3)2 Dolomite -6.90 -23.98 -17.08 CaMg(CO3)2
Epsomite -7.90 -9.64 -1.74 MgSO4:7H2O Epsomite -7.90 -9.64 -1.74 MgSO4:7H2O
Gypsum -4.62 -9.21 -4.58 CaSO4:2H2O Gypsum -4.62 -9.20 -4.58 CaSO4:2H2O
H2(g) -20.45 -23.55 -3.10 H2 H2(g) -20.45 -23.55 -3.10 H2
H2O(g) -1.50 -0.00 1.50 H2O H2O(g) -1.50 -0.00 1.50 H2O
Halite -10.32 -8.75 1.57 NaCl Halite -10.32 -8.75 1.57 NaCl
@ -214,14 +214,14 @@ Initial solution 2.
Volume (L) = 1.00301 Volume (L) = 1.00301
Viscosity (mPa s) = 0.89080 Viscosity (mPa s) = 0.89080
Activity of water = 1.000 Activity of water = 1.000
Ionic strength (mol/kgw) = 1.313e-03 Ionic strength (mol/kgw) = 1.317e-03
Mass of water (kg) = 1.000e+00 Mass of water (kg) = 1.000e+00
Total carbon (mol/kg) = 1.199e-03 Total carbon (mol/kg) = 1.200e-03
Total CO2 (mol/kg) = 1.199e-03 Total CO2 (mol/kg) = 1.200e-03
Temperature (°C) = 25.00 Temperature (°C) = 25.00
Electrical balance (eq) = -1.400e-05 Electrical balance (eq) = -1.400e-05
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.73 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.73
Iterations = 6 (13 overall) Iterations = 6 (14 overall)
Total H = 1.110150e+02 Total H = 1.110150e+02
Total O = 5.551125e+01 Total O = 5.551125e+01
@ -231,26 +231,26 @@ Initial solution 2.
Species Molality Activity Molality Activity Gamma cm³/mol Species Molality Activity Molality Activity Gamma cm³/mol
H+ 1.647e-07 1.585e-07 -6.783 -6.800 -0.017 0.00 H+ 1.647e-07 1.585e-07 -6.783 -6.800 -0.017 0.00
OH- 6.652e-08 6.386e-08 -7.177 -7.195 -0.018 -4.10 OH- 6.653e-08 6.386e-08 -7.177 -7.195 -0.018 -4.10
H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07 H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07
C(4) 1.199e-03 C(4) 1.200e-03
HCO3- 8.907e-04 8.558e-04 -3.050 -3.068 -0.017 24.58 HCO3- 8.924e-04 8.574e-04 -3.049 -3.067 -0.017 24.58
CO2 3.049e-04 3.050e-04 -3.516 -3.516 0.000 34.43 CO2 3.055e-04 3.055e-04 -3.515 -3.515 0.000 34.43
CaHCO3+ 2.484e-06 2.387e-06 -5.605 -5.622 -0.017 9.68 CaHCO3+ 7.574e-07 7.279e-07 -6.121 -6.138 -0.017 122.64
MgHCO3+ 6.230e-07 5.982e-07 -6.206 -6.223 -0.018 5.48 MgHCO3+ 6.241e-07 5.992e-07 -6.205 -6.222 -0.018 5.48
CO3-2 2.971e-07 2.532e-07 -6.527 -6.597 -0.069 -3.92 CO3-2 2.978e-07 2.537e-07 -6.526 -6.596 -0.070 -3.92
NaHCO3 1.851e-07 1.852e-07 -6.733 -6.732 0.000 31.73 NaHCO3 1.855e-07 1.856e-07 -6.732 -6.731 0.000 31.73
CaCO3 9.299e-08 9.302e-08 -7.032 -7.031 0.000 -14.60 CaCO3 9.377e-08 9.380e-08 -7.028 -7.028 0.000 -14.60
KHCO3 1.467e-08 1.467e-08 -7.834 -7.834 0.000 41.03 KHCO3 1.470e-08 1.470e-08 -7.833 -7.833 0.000 41.03
MgCO3 1.443e-08 1.444e-08 -7.841 -7.841 0.000 -17.09 MgCO3 1.446e-08 1.446e-08 -7.840 -7.840 0.000 -17.09
(CO2)2 1.706e-09 1.707e-09 -8.768 -8.768 0.000 68.87 (CO2)2 1.713e-09 1.713e-09 -8.766 -8.766 0.000 68.87
Ca 2.600e-04 Ca 2.600e-04
Ca+2 2.567e-04 2.187e-04 -3.591 -3.660 -0.070 -18.13 Ca+2 2.584e-04 2.201e-04 -3.588 -3.657 -0.070 -18.13
CaHCO3+ 2.484e-06 2.387e-06 -5.605 -5.622 -0.017 9.68 CaSO4 7.926e-07 7.928e-07 -6.101 -6.101 0.000 7.50
CaSO4 7.878e-07 7.880e-07 -6.104 -6.103 0.000 7.50 CaHCO3+ 7.574e-07 7.279e-07 -6.121 -6.138 -0.017 122.64
CaCO3 9.299e-08 9.302e-08 -7.032 -7.031 0.000 -14.60 CaCO3 9.377e-08 9.380e-08 -7.028 -7.028 0.000 -14.60
CaOH+ 2.385e-10 2.290e-10 -9.623 -9.640 -0.018 (0) CaOH+ 2.400e-10 2.305e-10 -9.620 -9.637 -0.018 (0)
CaHSO4+ 8.550e-13 8.209e-13 -12.068 -12.086 -0.018 (0) CaHSO4+ 8.602e-13 8.260e-13 -12.065 -12.083 -0.018 (0)
Cl 3.000e-05 Cl 3.000e-05
Cl- 3.000e-05 2.880e-05 -4.523 -4.541 -0.018 18.08 Cl- 3.000e-05 2.880e-05 -4.523 -4.541 -0.018 18.08
HCl 1.571e-12 1.573e-12 -11.804 -11.803 0.001 (0) HCl 1.571e-12 1.573e-12 -11.804 -11.803 0.001 (0)
@ -258,48 +258,48 @@ H(0) 3.555e-25
H2 1.778e-25 1.778e-25 -24.750 -24.750 0.000 28.61 H2 1.778e-25 1.778e-25 -24.750 -24.750 0.000 28.61
K 4.000e-05 K 4.000e-05
K+ 3.998e-05 3.838e-05 -4.398 -4.416 -0.018 9.01 K+ 3.998e-05 3.838e-05 -4.398 -4.416 -0.018 9.01
KHCO3 1.467e-08 1.467e-08 -7.834 -7.834 0.000 41.03 KHCO3 1.470e-08 1.470e-08 -7.833 -7.833 0.000 41.03
KSO4- 1.231e-08 1.183e-08 -7.910 -7.927 -0.017 14.15 KSO4- 1.230e-08 1.183e-08 -7.910 -7.927 -0.017 14.15
Mg 7.101e-05 Mg 7.101e-05
Mg+2 7.005e-05 5.974e-05 -4.155 -4.224 -0.069 -21.81 Mg+2 7.005e-05 5.973e-05 -4.155 -4.224 -0.069 -21.81
MgHCO3+ 6.230e-07 5.982e-07 -6.206 -6.223 -0.018 5.48 MgHCO3+ 6.241e-07 5.992e-07 -6.205 -6.222 -0.018 5.48
MgSO4 3.168e-07 3.170e-07 -6.499 -6.499 0.000 -7.92 MgSO4 3.166e-07 3.168e-07 -6.499 -6.499 0.000 -7.92
MgCO3 1.443e-08 1.444e-08 -7.841 -7.841 0.000 -17.09 MgCO3 1.446e-08 1.446e-08 -7.840 -7.840 0.000 -17.09
MgOH+ 1.424e-09 1.369e-09 -8.847 -8.864 -0.017 (0) MgOH+ 1.424e-09 1.368e-09 -8.847 -8.864 -0.017 (0)
Mg(SO4)2-2 2.476e-11 2.116e-11 -10.606 -10.675 -0.068 -3.36 Mg(SO4)2-2 2.474e-11 2.114e-11 -10.607 -10.675 -0.068 -3.35
Na 2.590e-04 Na 2.590e-04
Na+ 2.588e-04 2.485e-04 -3.587 -3.605 -0.018 -1.47 Na+ 2.588e-04 2.485e-04 -3.587 -3.605 -0.018 -1.47
NaHCO3 1.851e-07 1.852e-07 -6.733 -6.732 0.000 31.73 NaHCO3 1.855e-07 1.856e-07 -6.732 -6.731 0.000 31.73
NaSO4- 8.532e-08 8.198e-08 -7.069 -7.086 -0.017 -20.41 NaSO4- 8.529e-08 8.195e-08 -7.069 -7.086 -0.017 -20.40
NaOH 1.587e-21 1.587e-21 -20.800 -20.799 0.000 (0) NaOH 1.587e-21 1.587e-21 -20.800 -20.799 0.000 (0)
O(0) 0.000e+00 O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -42.880 -42.880 0.000 30.40 O2 0.000e+00 0.000e+00 -42.880 -42.880 0.000 30.40
S(6) 2.500e-05 S(6) 2.500e-05
SO4-2 2.380e-05 2.026e-05 -4.623 -4.693 -0.070 15.76 SO4-2 2.380e-05 2.026e-05 -4.624 -4.693 -0.070 15.76
CaSO4 7.878e-07 7.880e-07 -6.104 -6.103 0.000 7.50 CaSO4 7.926e-07 7.928e-07 -6.101 -6.101 0.000 7.50
MgSO4 3.168e-07 3.170e-07 -6.499 -6.499 0.000 -7.92 MgSO4 3.166e-07 3.168e-07 -6.499 -6.499 0.000 -7.92
NaSO4- 8.532e-08 8.198e-08 -7.069 -7.086 -0.017 -20.41 NaSO4- 8.529e-08 8.195e-08 -7.069 -7.086 -0.017 -20.40
KSO4- 1.231e-08 1.183e-08 -7.910 -7.927 -0.017 14.15 KSO4- 1.230e-08 1.183e-08 -7.910 -7.927 -0.017 14.15
HSO4- 3.252e-10 3.123e-10 -9.488 -9.505 -0.018 40.28 HSO4- 3.251e-10 3.121e-10 -9.488 -9.506 -0.018 40.28
Mg(SO4)2-2 2.476e-11 2.116e-11 -10.606 -10.675 -0.068 -3.36 Mg(SO4)2-2 2.474e-11 2.114e-11 -10.607 -10.675 -0.068 -3.35
CaHSO4+ 8.550e-13 8.209e-13 -12.068 -12.086 -0.018 (0) CaHSO4+ 8.602e-13 8.260e-13 -12.065 -12.083 -0.018 (0)
Si 4.100e-04 Si 4.100e-04
H4SiO4 4.096e-04 4.098e-04 -3.388 -3.387 0.000 52.08 H4SiO4 4.096e-04 4.098e-04 -3.388 -3.387 0.000 52.08
H3SiO4- 3.970e-07 3.812e-07 -6.401 -6.419 -0.018 27.98 H3SiO4- 3.970e-07 3.812e-07 -6.401 -6.419 -0.018 27.98
H2SiO4-2 1.920e-13 1.636e-13 -12.717 -12.786 -0.069 (0) H2SiO4-2 1.920e-13 1.636e-13 -12.717 -12.786 -0.070 (0)
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(298 K, 1 atm) Phase SI** log IAP log K(298 K, 1 atm)
Anhydrite -4.08 -8.35 -4.28 CaSO4 Anhydrite -4.07 -8.35 -4.28 CaSO4
Aragonite -1.92 -10.26 -8.34 CaCO3 Aragonite -1.92 -10.25 -8.34 CaCO3
Arcanite -11.65 -13.53 -1.88 K2SO4 Arcanite -11.65 -13.53 -1.88 K2SO4
Calcite -1.78 -10.26 -8.48 CaCO3 Calcite -1.77 -10.25 -8.48 CaCO3
Chalcedony 0.16 -3.39 -3.55 SiO2 Chalcedony 0.16 -3.39 -3.55 SiO2
Chrysotile -10.85 21.35 32.20 Mg3Si2O5(OH)4 Chrysotile -10.85 21.35 32.20 Mg3Si2O5(OH)4
CO2(g) -2.05 -3.52 -1.47 CO2 CO2(g) -2.05 -3.51 -1.47 CO2
Dolomite -3.99 -21.08 -17.08 CaMg(CO3)2 Dolomite -3.99 -21.07 -17.08 CaMg(CO3)2
Epsomite -7.18 -8.92 -1.74 MgSO4:7H2O Epsomite -7.18 -8.92 -1.74 MgSO4:7H2O
Gypsum -3.77 -8.35 -4.58 CaSO4:2H2O Gypsum -3.77 -8.35 -4.58 CaSO4:2H2O
H2(g) -21.65 -24.75 -3.10 H2 H2(g) -21.65 -24.75 -3.10 H2
@ -333,7 +333,7 @@ Solution 1:
Al 0.000e+00 + 0.000e+00 = 0.000e+00 Al 0.000e+00 + 0.000e+00 = 0.000e+00
Alkalinity 3.280e-04 + 8.200e-06 = 3.362e-04 Alkalinity 3.280e-04 + 8.200e-06 = 3.362e-04
C(-4) 0.000e+00 + 0.000e+00 = 0.000e+00 C(-4) 0.000e+00 + 0.000e+00 = 0.000e+00
C(4) 7.825e-04 + 0.000e+00 = 7.825e-04 C(4) 7.828e-04 + 0.000e+00 = 7.828e-04
Ca 7.800e-05 + -2.550e-06 = 7.545e-05 Ca 7.800e-05 + -2.550e-06 = 7.545e-05
Cl 1.400e-05 + 0.000e+00 = 1.400e-05 Cl 1.400e-05 + 0.000e+00 = 1.400e-05
H(0) 0.000e+00 + 0.000e+00 = 0.000e+00 H(0) 0.000e+00 + 0.000e+00 = 0.000e+00
@ -352,7 +352,7 @@ Solution 2:
Al 0.000e+00 + 0.000e+00 = 0.000e+00 Al 0.000e+00 + 0.000e+00 = 0.000e+00
Alkalinity 8.951e-04 + -1.480e-05 = 8.803e-04 Alkalinity 8.951e-04 + -1.480e-05 = 8.803e-04
C(-4) 0.000e+00 + 0.000e+00 = 0.000e+00 C(-4) 0.000e+00 + 0.000e+00 = 0.000e+00
C(4) 1.199e-03 + 0.000e+00 = 1.199e-03 C(4) 1.200e-03 + 0.000e+00 = 1.200e-03
Ca 2.600e-04 + 0.000e+00 = 2.600e-04 Ca 2.600e-04 + 0.000e+00 = 2.600e-04
Cl 3.000e-05 + 0.000e+00 = 3.000e-05 Cl 3.000e-05 + 0.000e+00 = 3.000e-05
H(0) 0.000e+00 + 0.000e+00 = 0.000e+00 H(0) 0.000e+00 + 0.000e+00 = 0.000e+00
@ -373,8 +373,8 @@ Phase mole transfers: Minimum Maximum Formula
Gypsum 1.500e-05 1.413e-05 1.588e-05 CaSO4:2H2O ( -4.62, -3.77) Gypsum 1.500e-05 1.413e-05 1.588e-05 CaSO4:2H2O ( -4.62, -3.77)
Kaolinite -3.392e-05 -5.587e-05 -1.224e-05 Al2Si2O5(OH)4 ( , ) Kaolinite -3.392e-05 -5.587e-05 -1.224e-05 Al2Si2O5(OH)4 ( , )
Ca-Montmorillon -8.090e-05 -1.100e-04 -5.154e-05 Ca0.165Al2.33Si3.67O10(OH ( , ) Ca-Montmorillon -8.090e-05 -1.100e-04 -5.154e-05 Ca0.165Al2.33Si3.67O10(OH ( , )
CO2(g) 3.006e-04 2.363e-04 3.656e-04 CO2 ( -1.87, -2.05) CO2(g) 3.009e-04 2.365e-04 3.659e-04 CO2 ( -1.87, -2.05)
Calcite 1.161e-04 1.007e-04 1.309e-04 CaCO3 ( -3.30, -1.78) Calcite 1.161e-04 1.007e-04 1.309e-04 CaCO3 ( -3.30, -1.77)
Biotite 1.370e-05 1.317e-05 1.370e-05 KMg3AlSi3O10(OH)2 ( , ) Biotite 1.370e-05 1.317e-05 1.370e-05 KMg3AlSi3O10(OH)2 ( , )
Plagioclase 1.758e-04 1.582e-04 1.935e-04 Na0.62Ca0.38Al1.38Si2.62O ( , ) Plagioclase 1.758e-04 1.582e-04 1.935e-04 Na0.62Ca0.38Al1.38Si2.62O ( , )
@ -395,7 +395,7 @@ Solution 1:
Al 0.000e+00 + 0.000e+00 = 0.000e+00 Al 0.000e+00 + 0.000e+00 = 0.000e+00
Alkalinity 3.280e-04 + 8.200e-06 = 3.362e-04 Alkalinity 3.280e-04 + 8.200e-06 = 3.362e-04
C(-4) 0.000e+00 + 0.000e+00 = 0.000e+00 C(-4) 0.000e+00 + 0.000e+00 = 0.000e+00
C(4) 7.825e-04 + 0.000e+00 = 7.825e-04 C(4) 7.828e-04 + 0.000e+00 = 7.828e-04
Ca 7.800e-05 + -2.550e-06 = 7.545e-05 Ca 7.800e-05 + -2.550e-06 = 7.545e-05
Cl 1.400e-05 + 0.000e+00 = 1.400e-05 Cl 1.400e-05 + 0.000e+00 = 1.400e-05
H(0) 0.000e+00 + 0.000e+00 = 0.000e+00 H(0) 0.000e+00 + 0.000e+00 = 0.000e+00
@ -414,7 +414,7 @@ Solution 2:
Al 0.000e+00 + 0.000e+00 = 0.000e+00 Al 0.000e+00 + 0.000e+00 = 0.000e+00
Alkalinity 8.951e-04 + -1.480e-05 = 8.803e-04 Alkalinity 8.951e-04 + -1.480e-05 = 8.803e-04
C(-4) 0.000e+00 + 0.000e+00 = 0.000e+00 C(-4) 0.000e+00 + 0.000e+00 = 0.000e+00
C(4) 1.199e-03 + 0.000e+00 = 1.199e-03 C(4) 1.200e-03 + 0.000e+00 = 1.200e-03
Ca 2.600e-04 + 0.000e+00 = 2.600e-04 Ca 2.600e-04 + 0.000e+00 = 2.600e-04
Cl 3.000e-05 + 0.000e+00 = 3.000e-05 Cl 3.000e-05 + 0.000e+00 = 3.000e-05
H(0) 0.000e+00 + 0.000e+00 = 0.000e+00 H(0) 0.000e+00 + 0.000e+00 = 0.000e+00
@ -434,8 +434,8 @@ Phase mole transfers: Minimum Maximum Formula
Halite 1.600e-05 1.490e-05 1.710e-05 NaCl (-10.32, -9.72) Halite 1.600e-05 1.490e-05 1.710e-05 NaCl (-10.32, -9.72)
Gypsum 1.500e-05 1.413e-05 1.588e-05 CaSO4:2H2O ( -4.62, -3.77) Gypsum 1.500e-05 1.413e-05 1.588e-05 CaSO4:2H2O ( -4.62, -3.77)
Kaolinite -1.282e-04 -1.403e-04 -1.159e-04 Al2Si2O5(OH)4 ( , ) Kaolinite -1.282e-04 -1.403e-04 -1.159e-04 Al2Si2O5(OH)4 ( , )
CO2(g) 3.140e-04 2.490e-04 3.795e-04 CO2 ( -1.87, -2.05) CO2(g) 3.143e-04 2.493e-04 3.798e-04 CO2 ( -1.87, -2.05)
Calcite 1.028e-04 8.680e-05 1.182e-04 CaCO3 ( -3.30, -1.78) Calcite 1.028e-04 8.680e-05 1.182e-04 CaCO3 ( -3.30, -1.77)
Chalcedony -1.084e-04 -1.473e-04 -6.906e-05 SiO2 ( -0.01, 0.16) Chalcedony -1.084e-04 -1.473e-04 -6.906e-05 SiO2 ( -0.01, 0.16)
Biotite 1.370e-05 1.317e-05 1.370e-05 KMg3AlSi3O10(OH)2 ( , ) Biotite 1.370e-05 1.317e-05 1.370e-05 KMg3AlSi3O10(OH)2 ( , )
Plagioclase 1.758e-04 1.582e-04 1.935e-04 Na0.62Ca0.38Al1.38Si2.62O ( , ) Plagioclase 1.758e-04 1.582e-04 1.935e-04 Na0.62Ca0.38Al1.38Si2.62O ( , )

5
phreeqc3-examples/ex17.out
View File

@ -14,6 +14,7 @@ Reading data base.
EXCHANGE_SPECIES EXCHANGE_SPECIES
SURFACE_MASTER_SPECIES SURFACE_MASTER_SPECIES
SURFACE_SPECIES SURFACE_SPECIES
MEAN_GAMMAS
END END
------------------------------------ ------------------------------------
Reading input data for simulation 1. Reading input data for simulation 1.
@ -90,7 +91,7 @@ Initial solution 1. Black Sea water
pH = 8.000 pH = 8.000
pe = 4.000 pe = 4.000
Specific Conductance (µS/cm, 25°C) = 29775 Specific Conductance (µS/cm, 25°C) = 29777
Density (g/cm³) = 1.01091 Density (g/cm³) = 1.01091
Volume (L) = 1.00789 Volume (L) = 1.00789
Viscosity (mPa s) = 0.92658 Viscosity (mPa s) = 0.92658
@ -212,7 +213,7 @@ Initial solution 2. Composition during halite precipitation
pH = 5.000 pH = 5.000
pe = 4.000 pe = 4.000
Specific Conductance (µS/cm, 25°C) = 149839 Specific Conductance (µS/cm, 25°C) = 150248
Density (g/cm³) = 1.27237 Density (g/cm³) = 1.27237
Volume (L) = 1.13163 Volume (L) = 1.13163
Viscosity (mPa s) = 3.75438 Viscosity (mPa s) = 3.75438

49
phreeqc3-examples/ex17b.out
View File

@ -14,6 +14,7 @@ Reading data base.
EXCHANGE_SPECIES EXCHANGE_SPECIES
SURFACE_MASTER_SPECIES SURFACE_MASTER_SPECIES
SURFACE_SPECIES SURFACE_SPECIES
MEAN_GAMMAS
END END
------------------------------------ ------------------------------------
Reading input data for simulation 1. Reading input data for simulation 1.
@ -92,7 +93,7 @@ Initial solution 1. Black Sea water
pH = 8.000 pH = 8.000
pe = 4.000 pe = 4.000
Specific Conductance (µS/cm, 25°C) = 29775 Specific Conductance (µS/cm, 25°C) = 29777
Density (g/cm³) = 1.01091 Density (g/cm³) = 1.01091
Volume (L) = 1.00789 Volume (L) = 1.00789
Viscosity (mPa s) = 0.92658 Viscosity (mPa s) = 0.92658
@ -255,7 +256,7 @@ Polyhalite -9.73 -23.47 -13.74 0.000e+00 0 0.000e+00
pH = 8.000 Charge balance pH = 8.000 Charge balance
pe = 4.000 Adjusted to redox equilibrium pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 29775 Specific Conductance (µS/cm, 25°C) = 29777
Density (g/cm³) = 1.01091 Density (g/cm³) = 1.01091
Volume (L) = 1.00789 Volume (L) = 1.00789
Viscosity (mPa s) = 0.92658 Viscosity (mPa s) = 0.92658
@ -414,7 +415,7 @@ Polyhalite -7.26 -21.00 -13.74 0.000e+00 0 0.000e+00
pH = 7.848 Charge balance pH = 7.848 Charge balance
pe = 4.000 Adjusted to redox equilibrium pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 73054 Specific Conductance (µS/cm, 25°C) = 73063
Density (g/cm³) = 1.03527 Density (g/cm³) = 1.03527
Volume (L) = 0.35767 Volume (L) = 0.35767
Viscosity (mPa s) = 0.99372 Viscosity (mPa s) = 0.99372
@ -573,7 +574,7 @@ Polyhalite -6.70 -20.44 -13.74 0.000e+00 0 0.000e+00
pH = 7.793 Charge balance pH = 7.793 Charge balance
pe = 4.000 Adjusted to redox equilibrium pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 88022 Specific Conductance (µS/cm, 25°C) = 88035
Density (g/cm³) = 1.04464 Density (g/cm³) = 1.04464
Volume (L) = 0.28547 Volume (L) = 0.28547
Viscosity (mPa s) = 1.02215 Viscosity (mPa s) = 1.02215
@ -732,7 +733,7 @@ Polyhalite -5.93 -19.68 -13.74 0.000e+00 0 0.000e+00
pH = 7.710 Charge balance pH = 7.710 Charge balance
pe = 4.000 Adjusted to redox equilibrium pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 110997 Specific Conductance (µS/cm, 25°C) = 111017
Density (g/cm³) = 1.06016 Density (g/cm³) = 1.06016
Volume (L) = 0.21331 Volume (L) = 0.21331
Viscosity (mPa s) = 1.07296 Viscosity (mPa s) = 1.07296
@ -891,7 +892,7 @@ Polyhalite -4.92 -18.67 -13.74 0.000e+00 0 0.000e+00
pH = 7.595 Charge balance pH = 7.595 Charge balance
pe = 4.000 Adjusted to redox equilibrium pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 149856 Specific Conductance (µS/cm, 25°C) = 149892
Density (g/cm³) = 1.09018 Density (g/cm³) = 1.09018
Volume (L) = 0.14120 Volume (L) = 0.14120
Viscosity (mPa s) = 1.18635 Viscosity (mPa s) = 1.18635
@ -1050,7 +1051,7 @@ Polyhalite -4.70 -18.44 -13.74 0.000e+00 0 0.000e+00
pH = 7.573 Charge balance pH = 7.573 Charge balance
pe = 4.000 Adjusted to redox equilibrium pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 163778 Specific Conductance (µS/cm, 25°C) = 163822
Density (g/cm³) = 1.10237 Density (g/cm³) = 1.10237
Volume (L) = 0.12317 Volume (L) = 0.12317
Viscosity (mPa s) = 1.23905 Viscosity (mPa s) = 1.23905
@ -1209,7 +1210,7 @@ Polyhalite -4.40 -18.15 -13.74 0.000e+00 0 0.000e+00
pH = 7.546 Charge balance pH = 7.546 Charge balance
pe = 4.000 Adjusted to redox equilibrium pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 180007 Specific Conductance (µS/cm, 25°C) = 180062
Density (g/cm³) = 1.11850 Density (g/cm³) = 1.11850
Volume (L) = 0.10515 Volume (L) = 0.10515
Viscosity (mPa s) = 1.31607 Viscosity (mPa s) = 1.31607
@ -1368,7 +1369,7 @@ Polyhalite -4.00 -17.74 -13.74 0.000e+00 0 0.000e+00
pH = 7.508 Charge balance pH = 7.508 Charge balance
pe = 4.000 Adjusted to redox equilibrium pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 198384 Specific Conductance (µS/cm, 25°C) = 198454
Density (g/cm³) = 1.14090 Density (g/cm³) = 1.14090
Volume (L) = 0.08716 Volume (L) = 0.08716
Viscosity (mPa s) = 1.43886 Viscosity (mPa s) = 1.43886
@ -1527,7 +1528,7 @@ Polyhalite -3.38 -17.12 -13.74 0.000e+00 0 0.000e+00
pH = 7.454 Charge balance pH = 7.454 Charge balance
pe = 4.000 Adjusted to redox equilibrium pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 216929 Specific Conductance (µS/cm, 25°C) = 217024
Density (g/cm³) = 1.17419 Density (g/cm³) = 1.17419
Volume (L) = 0.06922 Volume (L) = 0.06922
Viscosity (mPa s) = 1.66307 Viscosity (mPa s) = 1.66307
@ -1686,7 +1687,7 @@ Polyhalite -2.55 -16.29 -13.74 0.000e+00 0 0.000e+00
pH = 7.359 Charge balance pH = 7.359 Charge balance
pe = 4.000 Adjusted to redox equilibrium pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 226117 Specific Conductance (µS/cm, 25°C) = 226248
Density (g/cm³) = 1.21418 Density (g/cm³) = 1.21418
Volume (L) = 0.05088 Volume (L) = 0.05088
Viscosity (mPa s) = 2.03087 Viscosity (mPa s) = 2.03087
@ -1845,7 +1846,7 @@ Polyhalite -1.68 -15.43 -13.74 0.000e+00 0 0.000e+00
pH = 7.364 Charge balance pH = 7.364 Charge balance
pe = 4.000 Adjusted to redox equilibrium pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 214023 Specific Conductance (µS/cm, 25°C) = 214242
Density (g/cm³) = 1.21997 Density (g/cm³) = 1.21997
Volume (L) = 0.03050 Volume (L) = 0.03050
Viscosity (mPa s) = 2.19817 Viscosity (mPa s) = 2.19817
@ -2004,7 +2005,7 @@ Polyhalite -1.34 -15.08 -13.74 0.000e+00 0 0.000e+00
pH = 7.367 Charge balance pH = 7.367 Charge balance
pe = 4.000 Adjusted to redox equilibrium pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 207654 Specific Conductance (µS/cm, 25°C) = 207916
Density (g/cm³) = 1.22336 Density (g/cm³) = 1.22336
Volume (L) = 0.02541 Volume (L) = 0.02541
Viscosity (mPa s) = 2.30055 Viscosity (mPa s) = 2.30055
@ -2163,7 +2164,7 @@ Polyhalite -0.87 -14.62 -13.74 0.000e+00 0 0.000e+00
pH = 7.371 Charge balance pH = 7.371 Charge balance
pe = 4.000 Adjusted to redox equilibrium pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 197529 Specific Conductance (µS/cm, 25°C) = 197853
Density (g/cm³) = 1.22919 Density (g/cm³) = 1.22919
Volume (L) = 0.02033 Volume (L) = 0.02033
Viscosity (mPa s) = 2.48495 Viscosity (mPa s) = 2.48495
@ -2322,7 +2323,7 @@ Polyhalite -0.42 -14.16 -13.74 0.000e+00 0 0.000e+00
pH = 7.375 Charge balance pH = 7.375 Charge balance
pe = 4.000 Adjusted to redox equilibrium pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 185821 Specific Conductance (µS/cm, 25°C) = 186206
Density (g/cm³) = 1.23656 Density (g/cm³) = 1.23656
Volume (L) = 0.01675 Volume (L) = 0.01675
Viscosity (mPa s) = 2.73450 Viscosity (mPa s) = 2.73450
@ -2481,7 +2482,7 @@ Polyhalite -0.26 -14.00 -13.74 0.000e+00 0 0.000e+00
pH = 7.377 Charge balance pH = 7.377 Charge balance
pe = 4.000 Adjusted to redox equilibrium pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 181272 Specific Conductance (µS/cm, 25°C) = 181678
Density (g/cm³) = 1.23961 Density (g/cm³) = 1.23961
Volume (L) = 0.01574 Volume (L) = 0.01574
Viscosity (mPa s) = 2.84317 Viscosity (mPa s) = 2.84317
@ -2640,7 +2641,7 @@ Polyhalite -0.08 -13.82 -13.74 0.000e+00 0 0.000e+00
pH = 7.379 Charge balance pH = 7.379 Charge balance
pe = 4.000 Adjusted to redox equilibrium pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 175925 Specific Conductance (µS/cm, 25°C) = 176353
Density (g/cm³) = 1.24332 Density (g/cm³) = 1.24332
Volume (L) = 0.01472 Volume (L) = 0.01472
Viscosity (mPa s) = 2.98015 Viscosity (mPa s) = 2.98015
@ -2799,7 +2800,7 @@ Polyhalite 0.00 -13.74 -13.74 0.000e+00 2.746e-04 2.746e-04
pH = 7.379 Charge balance pH = 7.379 Charge balance
pe = 4.000 Adjusted to redox equilibrium pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 169804 Specific Conductance (µS/cm, 25°C) = 170258
Density (g/cm³) = 1.24638 Density (g/cm³) = 1.24638
Volume (L) = 0.01369 Volume (L) = 0.01369
Viscosity (mPa s) = 3.12540 Viscosity (mPa s) = 3.12540
@ -2958,7 +2959,7 @@ Polyhalite 0.00 -13.74 -13.74 2.746e-04 7.008e-04 4.262e-04
pH = 7.378 Charge balance pH = 7.378 Charge balance
pe = 4.000 Adjusted to redox equilibrium pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 162768 Specific Conductance (µS/cm, 25°C) = 163252
Density (g/cm³) = 1.24930 Density (g/cm³) = 1.24930
Volume (L) = 0.01264 Volume (L) = 0.01264
Viscosity (mPa s) = 3.29229 Viscosity (mPa s) = 3.29229
@ -3117,7 +3118,7 @@ Polyhalite 0.00 -13.74 -13.74 7.008e-04 9.425e-04 2.417e-04
pH = 7.377 Charge balance pH = 7.377 Charge balance
pe = 4.000 Adjusted to redox equilibrium pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 157939 Specific Conductance (µS/cm, 25°C) = 158442
Density (g/cm³) = 1.25155 Density (g/cm³) = 1.25155
Volume (L) = 0.01201 Volume (L) = 0.01201
Viscosity (mPa s) = 3.41850 Viscosity (mPa s) = 3.41850
@ -3276,7 +3277,7 @@ Polyhalite 0.00 -13.74 -13.74 9.425e-04 1.172e-03 2.296e-04
pH = 7.376 Charge balance pH = 7.376 Charge balance
pe = 4.000 Adjusted to redox equilibrium pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 152554 Specific Conductance (µS/cm, 25°C) = 153077
Density (g/cm³) = 1.25429 Density (g/cm³) = 1.25429
Volume (L) = 0.01139 Volume (L) = 0.01139
Viscosity (mPa s) = 3.57162 Viscosity (mPa s) = 3.57162
@ -3435,7 +3436,7 @@ Polyhalite 0.00 -13.74 -13.74 1.172e-03 1.369e-03 1.969e-04
pH = 7.378 Charge balance pH = 7.378 Charge balance
pe = 4.000 Adjusted to redox equilibrium pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 146876 Specific Conductance (µS/cm, 25°C) = 147417
Density (g/cm³) = 1.25755 Density (g/cm³) = 1.25755
Volume (L) = 0.01081 Volume (L) = 0.01081
Viscosity (mPa s) = 3.74839 Viscosity (mPa s) = 3.74839
@ -3594,7 +3595,7 @@ Polyhalite 0.00 -13.74 -13.74 1.369e-03 1.563e-03 1.942e-04
pH = 7.386 Charge balance pH = 7.386 Charge balance
pe = 4.000 Adjusted to redox equilibrium pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 139761 Specific Conductance (µS/cm, 25°C) = 140319
Density (g/cm³) = 1.26219 Density (g/cm³) = 1.26219
Volume (L) = 0.01020 Volume (L) = 0.01020
Viscosity (mPa s) = 3.99402 Viscosity (mPa s) = 3.99402
@ -3753,7 +3754,7 @@ Polyhalite 0.00 -13.74 -13.74 1.563e-03 1.740e-03 1.768e-04
pH = 7.394 Charge balance pH = 7.394 Charge balance
pe = 4.000 Adjusted to redox equilibrium pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 131643 Specific Conductance (µS/cm, 25°C) = 132216
Density (g/cm³) = 1.26804 Density (g/cm³) = 1.26804
Volume (L) = 0.00958 Volume (L) = 0.00958
Viscosity (mPa s) = 4.31212 Viscosity (mPa s) = 4.31212

336
phreeqc3-examples/ex18.out
View File

@ -13,7 +13,7 @@ Reading data base.
EXCHANGE_SPECIES EXCHANGE_SPECIES
SURFACE_MASTER_SPECIES SURFACE_MASTER_SPECIES
SURFACE_SPECIES SURFACE_SPECIES
CALCULATE_VALUES MEAN_GAMMAS
RATES RATES
END END
------------------------------------ ------------------------------------
@ -118,18 +118,18 @@ Initial solution 1. Recharge number 3
pH = 7.550 pH = 7.550
pe = 0.000 pe = 0.000
Specific Conductance (µS/cm, 10°C) = 277 Specific Conductance (µS/cm, 10°C) = 278
Density (g/cm³) = 0.99999 Density (g/cm³) = 0.99999
Volume (L) = 1.00035 Volume (L) = 1.00035
Viscosity (mPa s) = 1.31356 Viscosity (mPa s) = 1.31358
Activity of water = 1.000 Activity of water = 1.000
Ionic strength (mol/kgw) = 6.542e-03 Ionic strength (mol/kgw) = 6.588e-03
Mass of water (kg) = 1.000e+00 Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 4.016e-03 Total alkalinity (eq/kg) = 4.014e-03
Total CO2 (mol/kg) = 4.300e-03 Total CO2 (mol/kg) = 4.300e-03
Temperature (°C) = 9.90 Temperature (°C) = 9.90
Electrical balance (eq) = 1.063e-04 Electrical balance (eq) = 1.077e-04
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 1.24 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 1.25
Iterations = 8 Iterations = 8
Total H = 1.110164e+02 Total H = 1.110164e+02
Total O = 5.551946e+01 Total O = 5.551946e+01
@ -143,95 +143,95 @@ Initial solution 1. Recharge number 3
H+ 3.038e-08 2.818e-08 -7.517 -7.550 -0.033 0.00 H+ 3.038e-08 2.818e-08 -7.517 -7.550 -0.033 0.00
H2O 5.551e+01 9.999e-01 1.744 -0.000 0.000 18.02 H2O 5.551e+01 9.999e-01 1.744 -0.000 0.000 18.02
C(4) 4.300e-03 C(4) 4.300e-03
HCO3- 3.929e-03 3.622e-03 -2.406 -2.441 -0.035 22.89 HCO3- 3.951e-03 3.642e-03 -2.403 -2.439 -0.035 22.89
CO2 2.971e-04 2.974e-04 -3.527 -3.527 0.000 33.66 CO2 2.987e-04 2.990e-04 -3.525 -3.524 0.000 33.66
MgHCO3+ 3.094e-05 2.845e-05 -4.510 -4.546 -0.036 4.93 MgHCO3+ 3.108e-05 2.857e-05 -4.508 -4.544 -0.037 4.93
CaHCO3+ 3.027e-05 2.794e-05 -4.519 -4.554 -0.035 8.96 CaHCO3+ 6.407e-06 5.913e-06 -5.193 -5.228 -0.035 121.93
CO3-2 5.765e-06 4.167e-06 -5.239 -5.380 -0.141 -6.10 CO3-2 5.802e-06 4.190e-06 -5.236 -5.378 -0.141 -6.10
CaCO3 4.730e-06 4.737e-06 -5.325 -5.324 0.001 -14.66 CaCO3 4.848e-06 4.855e-06 -5.314 -5.314 0.001 -14.66
MgCO3 2.204e-06 2.208e-06 -5.657 -5.656 0.001 -17.07 MgCO3 2.214e-06 2.217e-06 -5.655 -5.654 0.001 -17.07
FeHCO3+ 2.086e-07 1.919e-07 -6.681 -6.717 -0.036 (0) FeHCO3+ 2.093e-07 1.925e-07 -6.679 -6.716 -0.036 (0)
FeCO3 5.288e-08 5.296e-08 -7.277 -7.276 0.001 (0) FeCO3 5.305e-08 5.313e-08 -7.275 -7.275 0.001 (0)
NaHCO3 3.675e-08 3.686e-08 -7.435 -7.433 0.001 31.86 NaHCO3 3.694e-08 3.705e-08 -7.433 -7.431 0.001 31.86
KHCO3 2.291e-08 2.291e-08 -7.640 -7.640 0.000 40.92 KHCO3 2.302e-08 2.303e-08 -7.638 -7.638 0.000 40.92
(CO2)2 9.408e-10 9.423e-10 -9.026 -9.026 0.001 67.31 (CO2)2 9.509e-10 9.523e-10 -9.022 -9.021 0.001 67.31
Ca 1.200e-03 Ca 1.200e-03
Ca+2 1.152e-03 8.324e-04 -2.938 -3.080 -0.141 -18.31 Ca+2 1.176e-03 8.486e-04 -2.930 -3.071 -0.142 -18.31
CaHCO3+ 3.027e-05 2.794e-05 -4.519 -4.554 -0.035 8.96 CaSO4 1.298e-05 1.300e-05 -4.887 -4.886 0.001 6.78
CaSO4 1.277e-05 1.279e-05 -4.894 -4.893 0.001 6.78 CaHCO3+ 6.407e-06 5.913e-06 -5.193 -5.228 -0.035 121.93
CaCO3 4.730e-06 4.737e-06 -5.325 -5.324 0.001 -14.66 CaCO3 4.848e-06 4.855e-06 -5.314 -5.314 0.001 -14.66
CaOH+ 5.328e-09 4.901e-09 -8.273 -8.310 -0.036 (0) CaOH+ 5.433e-09 4.996e-09 -8.265 -8.301 -0.036 (0)
CaHSO4+ 2.133e-12 1.962e-12 -11.671 -11.707 -0.036 (0) CaHSO4+ 2.170e-12 1.995e-12 -11.664 -11.700 -0.036 (0)
Cl 2.000e-05 Cl 2.000e-05
Cl- 2.000e-05 1.838e-05 -4.699 -4.736 -0.037 17.40 Cl- 2.000e-05 1.838e-05 -4.699 -4.736 -0.037 17.40
FeCl+ 1.461e-11 1.344e-11 -10.835 -10.872 -0.036 (0) FeCl+ 1.458e-11 1.341e-11 -10.836 -10.873 -0.036 (0)
HCl 1.948e-13 1.960e-13 -12.711 -12.708 0.003 (0) HCl 1.947e-13 1.960e-13 -12.711 -12.708 0.003 (0)
Fe(2) 1.000e-06 Fe(2) 1.000e-06
Fe+2 7.297e-07 5.298e-07 -6.137 -6.276 -0.139 -23.20 Fe+2 7.288e-07 5.286e-07 -6.137 -6.277 -0.139 -23.19
FeHCO3+ 2.086e-07 1.919e-07 -6.681 -6.717 -0.036 (0) FeHCO3+ 2.093e-07 1.925e-07 -6.679 -6.716 -0.036 (0)
FeCO3 5.288e-08 5.296e-08 -7.277 -7.276 0.001 (0) FeCO3 5.305e-08 5.313e-08 -7.275 -7.275 0.001 (0)
FeSO4 6.844e-09 6.855e-09 -8.165 -8.164 0.001 39.09 FeSO4 6.814e-09 6.824e-09 -8.167 -8.166 0.001 39.09
FeOH+ 1.965e-09 1.811e-09 -8.707 -8.742 -0.036 (0) FeOH+ 1.962e-09 1.807e-09 -8.707 -8.743 -0.036 (0)
FeCl+ 1.461e-11 1.344e-11 -10.835 -10.872 -0.036 (0) FeCl+ 1.458e-11 1.341e-11 -10.836 -10.873 -0.036 (0)
Fe(OH)2 1.369e-13 1.371e-13 -12.864 -12.863 0.001 (0) Fe(OH)2 1.366e-13 1.368e-13 -12.865 -12.864 0.001 (0)
FeHSO4+ 1.357e-15 1.249e-15 -14.867 -14.904 -0.036 (0) FeHSO4+ 1.352e-15 1.243e-15 -14.869 -14.906 -0.036 (0)
Fe(OH)3- 1.678e-16 1.546e-16 -15.775 -15.811 -0.036 (0) Fe(OH)3- 1.674e-16 1.542e-16 -15.776 -15.812 -0.036 (0)
H(0) 1.316e-18 H(0) 1.316e-18
H2 6.579e-19 6.588e-19 -18.182 -18.181 0.001 28.63 H2 6.578e-19 6.588e-19 -18.182 -18.181 0.001 28.63
K 2.000e-05 K 2.000e-05
K+ 1.995e-05 1.833e-05 -4.700 -4.737 -0.037 8.43 K+ 1.995e-05 1.832e-05 -4.700 -4.737 -0.037 8.43
KSO4- 2.828e-08 2.615e-08 -7.548 -7.582 -0.034 12.38 KSO4- 2.822e-08 2.609e-08 -7.549 -7.584 -0.034 12.38
KHCO3 2.291e-08 2.291e-08 -7.640 -7.640 0.000 40.92 KHCO3 2.302e-08 2.303e-08 -7.638 -7.638 0.000 40.92
Mg 1.010e-03 Mg 1.010e-03
Mg+2 9.648e-04 7.000e-04 -3.016 -3.155 -0.139 -21.10 Mg+2 9.647e-04 6.992e-04 -3.016 -3.155 -0.140 -21.10
MgHCO3+ 3.094e-05 2.845e-05 -4.510 -4.546 -0.036 4.93 MgHCO3+ 3.108e-05 2.857e-05 -4.508 -4.544 -0.037 4.93
MgSO4 1.203e-05 1.206e-05 -4.920 -4.919 0.001 -14.55 MgSO4 1.198e-05 1.202e-05 -4.921 -4.920 0.001 -14.55
MgCO3 2.204e-06 2.208e-06 -5.657 -5.656 0.001 -17.07 MgCO3 2.214e-06 2.217e-06 -5.655 -5.654 0.001 -17.07
MgOH+ 2.321e-08 2.144e-08 -7.634 -7.669 -0.034 (0) MgOH+ 2.319e-08 2.142e-08 -7.635 -7.669 -0.034 (0)
Mg(SO4)2-2 7.109e-09 5.202e-09 -8.148 -8.284 -0.136 1.52 Mg(SO4)2-2 7.075e-09 5.172e-09 -8.150 -8.286 -0.136 1.55
Na 2.000e-05 Na 2.000e-05
Na+ 1.994e-05 1.836e-05 -4.700 -4.736 -0.036 -2.42 Na+ 1.994e-05 1.835e-05 -4.700 -4.736 -0.036 -2.42
NaHCO3 3.675e-08 3.686e-08 -7.435 -7.433 0.001 31.86 NaHCO3 3.694e-08 3.705e-08 -7.433 -7.431 0.001 31.86
NaSO4- 2.687e-08 2.478e-08 -7.571 -7.606 -0.035 -19.98 NaSO4- 2.681e-08 2.471e-08 -7.572 -7.607 -0.035 -19.96
NaOH 1.896e-22 1.899e-22 -21.722 -21.721 0.001 (0) NaOH 1.896e-22 1.898e-22 -21.722 -21.722 0.001 (0)
O(0) 0.000e+00 O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -61.151 -61.151 0.001 28.94 O2 0.000e+00 0.000e+00 -61.151 -61.151 0.001 28.94
S(6) 1.600e-04 S(6) 1.600e-04
SO4-2 1.351e-04 9.732e-05 -3.869 -4.012 -0.143 14.48 SO4-2 1.350e-04 9.710e-05 -3.870 -4.013 -0.143 14.49
CaSO4 1.277e-05 1.279e-05 -4.894 -4.893 0.001 6.78 CaSO4 1.298e-05 1.300e-05 -4.887 -4.886 0.001 6.78
MgSO4 1.203e-05 1.206e-05 -4.920 -4.919 0.001 -14.55 MgSO4 1.198e-05 1.202e-05 -4.921 -4.920 0.001 -14.55
KSO4- 2.828e-08 2.615e-08 -7.548 -7.582 -0.034 12.38 KSO4- 2.822e-08 2.609e-08 -7.549 -7.584 -0.034 12.38
NaSO4- 2.687e-08 2.478e-08 -7.571 -7.606 -0.035 -19.98 NaSO4- 2.681e-08 2.471e-08 -7.572 -7.607 -0.035 -19.96
Mg(SO4)2-2 7.109e-09 5.202e-09 -8.148 -8.284 -0.136 1.52 Mg(SO4)2-2 7.075e-09 5.172e-09 -8.150 -8.286 -0.136 1.55
FeSO4 6.844e-09 6.855e-09 -8.165 -8.164 0.001 39.09 FeSO4 6.814e-09 6.824e-09 -8.167 -8.166 0.001 39.09
HSO4- 2.131e-10 1.960e-10 -9.671 -9.708 -0.036 38.92 HSO4- 2.127e-10 1.956e-10 -9.672 -9.709 -0.036 38.92
CaHSO4+ 2.133e-12 1.962e-12 -11.671 -11.707 -0.036 (0) CaHSO4+ 2.170e-12 1.995e-12 -11.664 -11.700 -0.036 (0)
FeHSO4+ 1.357e-15 1.249e-15 -14.867 -14.904 -0.036 (0) FeHSO4+ 1.352e-15 1.243e-15 -14.869 -14.906 -0.036 (0)
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(283 K, 1 atm) Phase SI** log IAP log K(283 K, 1 atm)
Anhydrite -2.97 -7.09 -4.12 CaSO4 Anhydrite -2.96 -7.08 -4.12 CaSO4
Aragonite -0.20 -8.46 -8.25 CaCO3 Aragonite -0.19 -8.45 -8.25 CaCO3
Arcanite -11.37 -13.49 -2.11 K2SO4 Arcanite -11.38 -13.49 -2.11 K2SO4
Calcite -0.06 -8.46 -8.40 CaCO3 Calcite -0.05 -8.45 -8.40 CaCO3
CH2O -33.73 -33.73 0.00 CH2O CH2O -33.72 -33.72 0.00 CH2O
CO2(g) -2.26 -3.53 -1.27 CO2 CO2(g) -2.26 -3.52 -1.27 CO2
Dolomite -0.11 -16.99 -16.88 CaMg(CO3)2 Dolomite -0.10 -16.98 -16.88 CaMg(CO3)2
Epsomite -5.33 -7.17 -1.83 MgSO4:7H2O Epsomite -5.34 -7.17 -1.83 MgSO4:7H2O
Gypsum -2.49 -7.09 -4.60 CaSO4:2H2O Gypsum -2.49 -7.08 -4.60 CaSO4:2H2O
H2(g) -15.13 -18.18 -3.05 H2 H2(g) -15.13 -18.18 -3.05 H2
H2O(g) -1.91 -0.00 1.91 H2O H2O(g) -1.91 -0.00 1.91 H2O
Halite -11.03 -9.47 1.56 NaCl Halite -11.03 -9.47 1.56 NaCl
Hexahydrite -5.58 -7.17 -1.59 MgSO4:6H2O Hexahydrite -5.58 -7.17 -1.59 MgSO4:6H2O
Kieserite -5.85 -7.17 -1.32 MgSO4:H2O Kieserite -5.85 -7.17 -1.32 MgSO4:H2O
Melanterite -7.88 -10.29 -2.41 FeSO4:7H2O Melanterite -7.88 -10.29 -2.41 FeSO4:7H2O
Mirabilite -11.51 -13.48 -1.97 Na2SO4:10H2O Mirabilite -11.51 -13.49 -1.97 Na2SO4:10H2O
O2(g) -58.39 -61.15 -2.76 O2 O2(g) -58.39 -61.15 -2.76 O2
Siderite -0.86 -11.66 -10.79 FeCO3 Siderite -0.86 -11.65 -10.79 FeCO3
Sylvite -9.47 -9.47 0.00 KCl Sylvite -9.47 -9.47 0.00 KCl
Thenardite -13.26 -13.48 -0.23 Na2SO4 Thenardite -13.26 -13.49 -0.23 Na2SO4
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1. For ideal gases, phi = 1.
@ -256,21 +256,21 @@ Initial solution 2. Mysse
pH = 6.610 pH = 6.610
pe = 0.000 pe = 0.000
Specific Conductance (µS/cm, 63°C) = 10510 Specific Conductance (µS/cm, 63°C) = 10507
Density (g/cm³) = 0.98523 Density (g/cm³) = 0.98520
Volume (L) = 1.01939 Volume (L) = 1.01942
Viscosity (mPa s) = 0.45611 Viscosity (mPa s) = 0.45609
Activity of water = 0.999 Activity of water = 0.999
Ionic strength (mol/kgw) = 7.104e-02 Ionic strength (mol/kgw) = 7.101e-02
Mass of water (kg) = 1.000e+00 Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 5.286e-03 Total alkalinity (eq/kg) = 5.294e-03
Total CO2 (mol/kg) = 6.870e-03 Total CO2 (mol/kg) = 6.870e-03
Temperature (°C) = 63.00 Temperature (°C) = 63.00
Electrical balance (eq) = 3.215e-03 Electrical balance (eq) = 3.207e-03
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 3.23 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 3.22
Iterations = 8 (16 overall) Iterations = 8 (16 overall)
Total H = 1.110179e+02 Total H = 1.110179e+02
Total O = 5.560451e+01 Total O = 5.560452e+01
---------------------------------Redox couples--------------------------------- ---------------------------------Redox couples---------------------------------
@ -287,91 +287,91 @@ Initial solution 2. Mysse
H+ 2.959e-07 2.455e-07 -6.529 -6.610 -0.081 0.00 H+ 2.959e-07 2.455e-07 -6.529 -6.610 -0.081 0.00
H2O 5.551e+01 9.985e-01 1.744 -0.001 0.000 18.35 H2O 5.551e+01 9.985e-01 1.744 -0.001 0.000 18.35
C(4) 6.870e-03 C(4) 6.870e-03
HCO3- 4.595e-03 3.660e-03 -2.338 -2.436 -0.099 25.86 HCO3- 4.575e-03 3.644e-03 -2.340 -2.438 -0.099 25.86
CO2 1.753e-03 1.772e-03 -2.756 -2.751 0.005 36.36 CO2 1.746e-03 1.765e-03 -2.758 -2.753 0.005 36.36
CaHCO3+ 2.484e-04 1.994e-04 -3.605 -3.700 -0.095 10.66 CaHCO3+ 2.772e-04 2.226e-04 -3.557 -3.653 -0.095 123.62
NaHCO3 1.852e-04 1.914e-04 -3.732 -3.718 0.014 31.20 NaHCO3 1.844e-04 1.905e-04 -3.734 -3.720 0.014 31.20
MgHCO3+ 6.121e-05 4.775e-05 -4.213 -4.321 -0.108 6.10 MgHCO3+ 6.093e-05 4.753e-05 -4.215 -4.323 -0.108 6.10
CaCO3 1.668e-05 1.695e-05 -4.778 -4.771 0.007 -14.51 CaCO3 1.656e-05 1.683e-05 -4.781 -4.774 0.007 -14.51
KHCO3 5.118e-06 5.126e-06 -5.291 -5.290 0.001 41.50 KHCO3 5.096e-06 5.104e-06 -5.293 -5.292 0.001 41.50
CO3-2 2.699e-06 1.086e-06 -5.569 -5.964 -0.395 -2.58 CO3-2 2.687e-06 1.082e-06 -5.571 -5.966 -0.395 -2.58
MgCO3 1.518e-06 1.543e-06 -5.819 -5.812 0.007 -17.09 MgCO3 1.511e-06 1.536e-06 -5.821 -5.814 0.007 -17.09
(CO2)2 1.559e-07 1.584e-07 -6.807 -6.800 0.007 72.72 (CO2)2 1.545e-07 1.571e-07 -6.811 -6.804 0.007 72.72
FeHCO3+ 1.158e-08 9.117e-09 -7.936 -8.040 -0.104 (0) FeHCO3+ 1.153e-08 9.078e-09 -7.938 -8.042 -0.104 (0)
FeCO3 6.385e-10 6.490e-10 -9.195 -9.188 0.007 (0) FeCO3 6.358e-10 6.462e-10 -9.197 -9.190 0.007 (0)
Ca 1.128e-02 Ca 1.128e-02
Ca+2 7.843e-03 3.171e-03 -2.106 -2.499 -0.393 -17.58 Ca+2 7.821e-03 3.163e-03 -2.107 -2.500 -0.393 -17.58
CaSO4 3.172e-03 3.224e-03 -2.499 -2.492 0.007 8.42 CaSO4 3.165e-03 3.217e-03 -2.500 -2.492 0.007 8.42
CaHCO3+ 2.484e-04 1.994e-04 -3.605 -3.700 -0.095 10.66 CaHCO3+ 2.772e-04 2.226e-04 -3.557 -3.653 -0.095 123.62
CaCO3 1.668e-05 1.695e-05 -4.778 -4.771 0.007 -14.51 CaCO3 1.656e-05 1.683e-05 -4.781 -4.774 0.007 -14.51
CaHSO4+ 1.310e-08 1.031e-08 -7.883 -7.987 -0.104 (0) CaHSO4+ 1.307e-08 1.029e-08 -7.884 -7.988 -0.104 (0)
CaOH+ 2.719e-09 2.141e-09 -8.566 -8.669 -0.104 (0) CaOH+ 2.712e-09 2.135e-09 -8.567 -8.671 -0.104 (0)
Cl 1.785e-02 Cl 1.785e-02
Cl- 1.785e-02 1.388e-02 -1.748 -1.858 -0.109 18.29 Cl- 1.785e-02 1.388e-02 -1.748 -1.858 -0.109 18.29
HCl 8.646e-10 9.269e-10 -9.063 -9.033 0.030 (0) HCl 8.646e-10 9.269e-10 -9.063 -9.033 0.030 (0)
FeCl+ 6.060e-10 4.771e-10 -9.218 -9.321 -0.104 (0) FeCl+ 6.061e-10 4.771e-10 -9.217 -9.321 -0.104 (0)
Fe(2) 4.000e-07 Fe(2) 4.000e-07
Fe(HS)2 2.863e-07 2.910e-07 -6.543 -6.536 0.007 (0) Fe(HS)2 2.863e-07 2.910e-07 -6.543 -6.536 0.007 (0)
Fe+2 5.995e-08 2.491e-08 -7.222 -7.604 -0.381 -19.95 Fe+2 5.995e-08 2.491e-08 -7.222 -7.604 -0.381 -19.95
FeSO4 3.584e-08 3.643e-08 -7.446 -7.439 0.007 -6.81 FeSO4 3.586e-08 3.645e-08 -7.445 -7.438 0.007 -6.81
FeHCO3+ 1.158e-08 9.117e-09 -7.936 -8.040 -0.104 (0) FeHCO3+ 1.153e-08 9.078e-09 -7.938 -8.042 -0.104 (0)
Fe(HS)3- 4.609e-09 3.628e-09 -8.336 -8.440 -0.104 (0) Fe(HS)3- 4.609e-09 3.629e-09 -8.336 -8.440 -0.104 (0)
FeCO3 6.385e-10 6.490e-10 -9.195 -9.188 0.007 (0) FeCO3 6.358e-10 6.462e-10 -9.197 -9.190 0.007 (0)
FeCl+ 6.060e-10 4.771e-10 -9.218 -9.321 -0.104 (0) FeCl+ 6.061e-10 4.771e-10 -9.217 -9.321 -0.104 (0)
FeOH+ 5.020e-10 3.976e-10 -9.299 -9.401 -0.101 (0) FeOH+ 5.020e-10 3.976e-10 -9.299 -9.401 -0.101 (0)
Fe(OH)2 2.540e-13 2.582e-13 -12.595 -12.588 0.007 (0) Fe(OH)2 2.540e-13 2.582e-13 -12.595 -12.588 0.007 (0)
FeHSO4+ 1.029e-13 8.100e-14 -12.988 -13.092 -0.104 (0) FeHSO4+ 1.030e-13 8.105e-14 -12.987 -13.091 -0.104 (0)
Fe(OH)3- 6.860e-17 5.434e-17 -16.164 -16.265 -0.101 (0) Fe(OH)3- 6.860e-17 5.434e-17 -16.164 -16.265 -0.101 (0)
H(0) 1.219e-09 H(0) 1.219e-09
H2 6.097e-10 6.198e-10 -9.215 -9.208 0.007 28.58 H2 6.097e-10 6.197e-10 -9.215 -9.208 0.007 28.58
K 2.540e-03 K 2.540e-03
K+ 2.340e-03 1.814e-03 -2.631 -2.741 -0.111 10.01 K+ 2.339e-03 1.814e-03 -2.631 -2.741 -0.110 10.01
KSO4- 1.954e-04 1.605e-04 -3.709 -3.794 -0.085 15.45 KSO4- 1.955e-04 1.606e-04 -3.709 -3.794 -0.085 15.45
KHCO3 5.118e-06 5.126e-06 -5.291 -5.290 0.001 41.50 KHCO3 5.096e-06 5.104e-06 -5.293 -5.292 0.001 41.50
Mg 4.540e-03 Mg 4.540e-03
MgSO4 2.446e-03 2.527e-03 -2.612 -2.597 0.014 -0.04 MgSO4 2.446e-03 2.528e-03 -2.611 -2.597 0.014 -0.04
Mg+2 1.986e-03 8.303e-04 -2.702 -3.081 -0.379 -22.49 Mg+2 1.985e-03 8.301e-04 -2.702 -3.081 -0.379 -22.49
MgHCO3+ 6.121e-05 4.775e-05 -4.213 -4.321 -0.108 6.10 MgHCO3+ 6.093e-05 4.753e-05 -4.215 -4.323 -0.108 6.10
Mg(SO4)2-2 4.582e-05 2.013e-05 -4.339 -4.696 -0.357 26.89 Mg(SO4)2-2 4.585e-05 2.015e-05 -4.339 -4.696 -0.357 26.88
MgCO3 1.518e-06 1.543e-06 -5.819 -5.812 0.007 -17.09 MgCO3 1.511e-06 1.536e-06 -5.821 -5.814 0.007 -17.09
MgOH+ 3.185e-07 2.573e-07 -6.497 -6.590 -0.093 (0) MgOH+ 3.184e-07 2.572e-07 -6.497 -6.590 -0.093 (0)
Na 3.189e-02 Na 3.189e-02
Na+ 2.911e-02 2.304e-02 -1.536 -1.638 -0.102 0.09 Na+ 2.911e-02 2.304e-02 -1.536 -1.638 -0.102 0.09
NaSO4- 2.598e-03 2.072e-03 -2.585 -2.684 -0.098 -3.67 NaSO4- 2.599e-03 2.073e-03 -2.585 -2.683 -0.098 -3.67
NaHCO3 1.852e-04 1.914e-04 -3.732 -3.718 0.014 31.20 NaHCO3 1.844e-04 1.905e-04 -3.734 -3.720 0.014 31.20
NaOH 1.044e-18 1.062e-18 -17.981 -17.974 0.007 (0) NaOH 1.044e-18 1.062e-18 -17.981 -17.974 0.007 (0)
O(0) 0.000e+00 O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -63.096 -63.089 0.007 32.51 O2 0.000e+00 0.000e+00 -63.096 -63.088 0.007 32.51
S(-2) 2.600e-04 S(-2) 2.600e-04
HS- 1.480e-04 1.145e-04 -3.830 -3.941 -0.112 21.38 HS- 1.480e-04 1.145e-04 -3.830 -3.941 -0.112 21.38
H2S 1.114e-04 1.132e-04 -3.953 -3.946 0.007 42.59 H2S 1.114e-04 1.132e-04 -3.953 -3.946 0.007 42.59
Fe(HS)2 2.863e-07 2.910e-07 -6.543 -6.536 0.007 (0) Fe(HS)2 2.863e-07 2.910e-07 -6.543 -6.536 0.007 (0)
Fe(HS)3- 4.609e-09 3.628e-09 -8.336 -8.440 -0.104 (0) Fe(HS)3- 4.609e-09 3.629e-09 -8.336 -8.440 -0.104 (0)
S-2 1.440e-09 5.667e-10 -8.842 -9.247 -0.405 (0) S-2 1.440e-09 5.668e-10 -8.842 -9.247 -0.405 (0)
(H2S)2 1.351e-09 1.373e-09 -8.869 -8.862 0.007 27.88 (H2S)2 1.351e-09 1.373e-09 -8.869 -8.862 0.007 27.88
S(6) 1.986e-02 S(6) 1.986e-02
SO4-2 1.136e-02 4.441e-03 -1.945 -2.353 -0.408 23.91 SO4-2 1.136e-02 4.443e-03 -1.945 -2.352 -0.408 23.91
CaSO4 3.172e-03 3.224e-03 -2.499 -2.492 0.007 8.42 CaSO4 3.165e-03 3.217e-03 -2.500 -2.492 0.007 8.42
NaSO4- 2.598e-03 2.072e-03 -2.585 -2.684 -0.098 -3.67 NaSO4- 2.599e-03 2.073e-03 -2.585 -2.683 -0.098 -3.67
MgSO4 2.446e-03 2.527e-03 -2.612 -2.597 0.014 -0.04 MgSO4 2.446e-03 2.528e-03 -2.611 -2.597 0.014 -0.04
KSO4- 1.954e-04 1.605e-04 -3.709 -3.794 -0.085 15.45 KSO4- 1.955e-04 1.606e-04 -3.709 -3.794 -0.085 15.45
Mg(SO4)2-2 4.582e-05 2.013e-05 -4.339 -4.696 -0.357 26.89 Mg(SO4)2-2 4.585e-05 2.015e-05 -4.339 -4.696 -0.357 26.88
HSO4- 3.436e-07 2.705e-07 -6.464 -6.568 -0.104 41.70 HSO4- 3.438e-07 2.706e-07 -6.464 -6.568 -0.104 41.70
FeSO4 3.584e-08 3.643e-08 -7.446 -7.439 0.007 -6.81 FeSO4 3.586e-08 3.645e-08 -7.445 -7.438 0.007 -6.81
CaHSO4+ 1.310e-08 1.031e-08 -7.883 -7.987 -0.104 (0) CaHSO4+ 1.307e-08 1.029e-08 -7.884 -7.988 -0.104 (0)
FeHSO4+ 1.029e-13 8.100e-14 -12.988 -13.092 -0.104 (0) FeHSO4+ 1.030e-13 8.105e-14 -12.987 -13.091 -0.104 (0)
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(336 K, 1 atm) Phase SI** log IAP log K(336 K, 1 atm)
Anhydrite -0.11 -4.85 -4.75 CaSO4 Anhydrite -0.11 -4.85 -4.75 CaSO4
Aragonite 0.21 -8.46 -8.67 CaCO3 Aragonite 0.20 -8.47 -8.67 CaCO3
Arcanite -6.28 -7.84 -1.55 K2SO4 Arcanite -6.28 -7.84 -1.55 K2SO4
Calcite 0.46 -8.46 -8.92 CaCO3 Calcite 0.46 -8.47 -8.92 CaCO3
CH2O -14.57 -14.57 0.00 CH2O CH2O -14.58 -14.58 0.00 CH2O
CO2(g) -0.95 -2.75 -1.80 CO2 CO2(g) -0.95 -2.75 -1.80 CO2
Dolomite 0.55 -17.51 -18.06 CaMg(CO3)2 Dolomite 0.54 -17.51 -18.06 CaMg(CO3)2
Epsomite -3.94 -5.44 -1.50 MgSO4:7H2O Epsomite -3.94 -5.44 -1.50 MgSO4:7H2O
FeS(ppt) -1.02 -4.93 -3.92 FeS FeS(ppt) -1.02 -4.93 -3.92 FeS
Gypsum -0.19 -4.85 -4.66 CaSO4:2H2O Gypsum -0.19 -4.85 -4.66 CaSO4:2H2O
@ -404,7 +404,7 @@ Solution 1: Recharge number 3
Input Delta Input+Delta Input Delta Input+Delta
pH 7.550e+00 + 0.000e+00 = 7.550e+00 pH 7.550e+00 + 0.000e+00 = 7.550e+00
Alkalinity 4.016e-03 + 1.063e-04 = 4.122e-03 Alkalinity 4.014e-03 + 1.077e-04 = 4.122e-03
C(-4) 0.000e+00 + 0.000e+00 = 0.000e+00 C(-4) 0.000e+00 + 0.000e+00 = 0.000e+00
C(4) 4.300e-03 + 0.000e+00 = 4.300e-03 C(4) 4.300e-03 + 0.000e+00 = 4.300e-03
Ca 1.200e-03 + 0.000e+00 = 1.200e-03 Ca 1.200e-03 + 0.000e+00 = 1.200e-03
@ -428,7 +428,7 @@ Solution 2: Mysse
Input Delta Input+Delta Input Delta Input+Delta
pH 6.610e+00 + 0.000e+00 = 6.610e+00 pH 6.610e+00 + 0.000e+00 = 6.610e+00
Alkalinity 5.286e-03 + 0.000e+00 = 5.286e-03 Alkalinity 5.294e-03 + 0.000e+00 = 5.294e-03
C(-4) 0.000e+00 + 0.000e+00 = 0.000e+00 C(-4) 0.000e+00 + 0.000e+00 = 0.000e+00
C(4) 6.870e-03 + 0.000e+00 = 6.870e-03 C(4) 6.870e-03 + 0.000e+00 = 6.870e-03
Ca 1.128e-02 + 0.000e+00 = 1.128e-02 Ca 1.128e-02 + 0.000e+00 = 1.128e-02
@ -438,7 +438,7 @@ Solution 2: Mysse
H(0) 1.219e-09 + 0.000e+00 = 1.219e-09 H(0) 1.219e-09 + 0.000e+00 = 1.219e-09
K 2.540e-03 + 0.000e+00 = 2.540e-03 K 2.540e-03 + 0.000e+00 = 2.540e-03
Mg 4.540e-03 + 0.000e+00 = 4.540e-03 Mg 4.540e-03 + 0.000e+00 = 4.540e-03
Na 3.189e-02 + -1.229e-03 = 3.066e-02 Na 3.189e-02 + -1.221e-03 = 3.067e-02
O(0) 0.000e+00 + 0.000e+00 = 0.000e+00 O(0) 0.000e+00 + 0.000e+00 = 0.000e+00
S(-2) 2.600e-04 + 0.000e+00 = 2.600e-04 S(-2) 2.600e-04 + 0.000e+00 = 2.600e-04
S(6) 1.986e-02 + 9.930e-04 = 2.085e-02 S(6) 1.986e-02 + 9.930e-04 = 2.085e-02
@ -451,8 +451,8 @@ Solution 2: Mysse
Isotopic composition of phases: Isotopic composition of phases:
13C Dolomite 3 + 0 = 3 13C Dolomite 3 + 0 = 3
13C Calcite -1.5 + 0 = -1.5 13C Calcite -1.5 + 0 = -1.5
34S Anhydrite 13.5 + -0.715402 = 12.7846 34S Anhydrite 13.5 + -0.70933 = 12.7907
13C CH2O -25 + 3.93324 = -21.0668 13C CH2O -25 + 3.88835 = -21.1116
34S Pyrite -22 + 2 = -20 34S Pyrite -22 + 2 = -20
Solution fractions: Minimum Maximum Solution fractions: Minimum Maximum
@ -460,24 +460,24 @@ Solution fractions: Minimum Maximum
Solution 2 1.000e+00 1.000e+00 1.000e+00 Solution 2 1.000e+00 1.000e+00 1.000e+00
Phase mole transfers: Minimum Maximum Formula (Approximate SI in solution 1, 2 at 336 K, 1 atm) Phase mole transfers: Minimum Maximum Formula (Approximate SI in solution 1, 2 at 336 K, 1 atm)
Dolomite 1.120e-02 1.022e-02 1.194e-02 CaMg(CO3)2 ( 1.06, 0.55) Dolomite 1.120e-02 1.022e-02 1.195e-02 CaMg(CO3)2 ( 1.07, 0.54)
Calcite -2.404e-02 -2.597e-02 -2.113e-02 CaCO3 ( 0.46, 0.46) Calcite -2.404e-02 -2.597e-02 -2.112e-02 CaCO3 ( 0.47, 0.46)
Anhydrite 2.293e-02 2.037e-02 2.378e-02 CaSO4 ( -2.35, -0.11) Anhydrite 2.292e-02 2.037e-02 2.378e-02 CaSO4 ( -2.34, -0.11)
CH2O 4.222e-03 2.482e-03 5.808e-03 CH2O ( , ) CH2O 4.214e-03 2.473e-03 5.798e-03 CH2O ( , )
Goethite 9.866e-04 5.145e-04 1.418e-03 FeOOH ( , ) Goethite 9.845e-04 5.123e-04 1.415e-03 FeOOH ( , )
Pyrite -9.872e-04 -1.417e-03 -5.162e-04 FeS2 ( , ) Pyrite -9.851e-04 -1.414e-03 -5.140e-04 FeS2 ( , )
MgX2 -7.666e-03 -8.591e-03 -6.972e-03 MgX2 ( , ) MgX2 -7.669e-03 -8.595e-03 -6.972e-03 MgX2 ( , )
NaX 1.533e-02 1.394e-02 1.718e-02 NaX ( , ) NaX 1.534e-02 1.394e-02 1.719e-02 NaX ( , )
Halite 1.531e-02 1.429e-02 1.633e-02 NaCl (-11.07, -5.09) Halite 1.531e-02 1.429e-02 1.633e-02 NaCl (-11.07, -5.09)
Sylvite 2.520e-03 2.392e-03 2.648e-03 KCl ( -9.47, -4.60) Sylvite 2.520e-03 2.392e-03 2.648e-03 KCl ( -9.47, -4.60)
Redox mole transfers: Redox mole transfers:
Fe(3) 9.866e-04 Fe(3) 9.845e-04
H(0) -1.219e-09 H(0) -1.219e-09
S(-2) -2.234e-03 S(-2) -2.230e-03
Sum of residuals (epsilons in documentation): 2.312e+00 Sum of residuals (epsilons in documentation): 2.315e+00
Sum of delta/uncertainty limit: 4.444e+00 Sum of delta/uncertainty limit: 4.435e+00
Maximum fractional error in element concentration: 5.000e-02 Maximum fractional error in element concentration: 5.000e-02
Model contains minimum number of phases. Model contains minimum number of phases.
@ -488,7 +488,7 @@ Solution 1: Recharge number 3
Input Delta Input+Delta Input Delta Input+Delta
pH 7.550e+00 + 0.000e+00 = 7.550e+00 pH 7.550e+00 + 0.000e+00 = 7.550e+00
Alkalinity 4.016e-03 + 1.063e-04 = 4.122e-03 Alkalinity 4.014e-03 + 1.077e-04 = 4.122e-03
C(-4) 0.000e+00 + 0.000e+00 = 0.000e+00 C(-4) 0.000e+00 + 0.000e+00 = 0.000e+00
C(4) 4.300e-03 + 0.000e+00 = 4.300e-03 C(4) 4.300e-03 + 0.000e+00 = 4.300e-03
Ca 1.200e-03 + 0.000e+00 = 1.200e-03 Ca 1.200e-03 + 0.000e+00 = 1.200e-03
@ -512,9 +512,9 @@ Solution 2: Mysse
Input Delta Input+Delta Input Delta Input+Delta
pH 6.610e+00 + 0.000e+00 = 6.610e+00 pH 6.610e+00 + 0.000e+00 = 6.610e+00
Alkalinity 5.286e-03 + 0.000e+00 = 5.286e-03 Alkalinity 5.294e-03 + 0.000e+00 = 5.294e-03
C(-4) 0.000e+00 + 0.000e+00 = 0.000e+00 C(-4) 0.000e+00 + 0.000e+00 = 0.000e+00
C(4) 6.870e-03 + -3.424e-04 = 6.528e-03 C(4) 6.870e-03 + -3.383e-04 = 6.532e-03
Ca 1.128e-02 + 0.000e+00 = 1.128e-02 Ca 1.128e-02 + 0.000e+00 = 1.128e-02
Cl 1.785e-02 + 0.000e+00 = 1.785e-02 Cl 1.785e-02 + 0.000e+00 = 1.785e-02
Fe(2) 4.000e-07 + 0.000e+00 = 4.000e-07 Fe(2) 4.000e-07 + 0.000e+00 = 4.000e-07
@ -522,7 +522,7 @@ Solution 2: Mysse
H(0) 1.219e-09 + 0.000e+00 = 1.219e-09 H(0) 1.219e-09 + 0.000e+00 = 1.219e-09
K 2.540e-03 + 0.000e+00 = 2.540e-03 K 2.540e-03 + 0.000e+00 = 2.540e-03
Mg 4.540e-03 + 0.000e+00 = 4.540e-03 Mg 4.540e-03 + 0.000e+00 = 4.540e-03
Na 3.189e-02 + -1.229e-03 = 3.066e-02 Na 3.189e-02 + -1.221e-03 = 3.067e-02
O(0) 0.000e+00 + 0.000e+00 = 0.000e+00 O(0) 0.000e+00 + 0.000e+00 = 0.000e+00
S(-2) 2.600e-04 + 0.000e+00 = 2.600e-04 S(-2) 2.600e-04 + 0.000e+00 = 2.600e-04
S(6) 1.986e-02 + 9.930e-04 = 2.085e-02 S(6) 1.986e-02 + 9.930e-04 = 2.085e-02
@ -535,7 +535,7 @@ Solution 2: Mysse
Isotopic composition of phases: Isotopic composition of phases:
13C Dolomite 3 + 2 = 5 13C Dolomite 3 + 2 = 5
13C Calcite -1.5 + -1 = -2.5 13C Calcite -1.5 + -1 = -2.5
34S Anhydrite 13.5 + -0.146098 = 13.3539 34S Anhydrite 13.5 + -0.146689 = 13.3533
13C CH2O -25 + 5 = -20 13C CH2O -25 + 5 = -20
34S Pyrite -22 + 2 = -20 34S Pyrite -22 + 2 = -20
@ -544,24 +544,24 @@ Solution fractions: Minimum Maximum
Solution 2 1.000e+00 1.000e+00 1.000e+00 Solution 2 1.000e+00 1.000e+00 1.000e+00
Phase mole transfers: Minimum Maximum Formula (Approximate SI in solution 1, 2 at 336 K, 1 atm) Phase mole transfers: Minimum Maximum Formula (Approximate SI in solution 1, 2 at 336 K, 1 atm)
Dolomite 5.446e-03 4.995e-03 5.842e-03 CaMg(CO3)2 ( 1.06, 0.55) Dolomite 5.447e-03 4.995e-03 5.843e-03 CaMg(CO3)2 ( 1.07, 0.54)
Calcite -1.215e-02 -1.337e-02 -1.066e-02 CaCO3 ( 0.46, 0.46) Calcite -1.215e-02 -1.336e-02 -1.066e-02 CaCO3 ( 0.47, 0.46)
Anhydrite 2.254e-02 2.037e-02 2.298e-02 CaSO4 ( -2.35, -0.11) Anhydrite 2.254e-02 2.037e-02 2.298e-02 CaSO4 ( -2.34, -0.11)
CH2O 3.488e-03 2.482e-03 4.302e-03 CH2O ( , ) CH2O 3.489e-03 2.473e-03 4.302e-03 CH2O ( , )
Goethite 7.909e-04 5.145e-04 1.016e-03 FeOOH ( , ) Goethite 7.911e-04 5.123e-04 1.016e-03 FeOOH ( , )
Pyrite -7.915e-04 -1.015e-03 -5.162e-04 FeS2 ( , ) Pyrite -7.917e-04 -1.016e-03 -5.140e-04 FeS2 ( , )
Ca.75Mg.25X2 -7.666e-03 -8.591e-03 -6.972e-03 Ca.75Mg.25X2 ( , ) Ca.75Mg.25X2 -7.669e-03 -8.595e-03 -6.972e-03 Ca.75Mg.25X2 ( , )
NaX 1.533e-02 1.394e-02 1.718e-02 NaX ( , ) NaX 1.534e-02 1.394e-02 1.719e-02 NaX ( , )
Halite 1.531e-02 1.429e-02 1.633e-02 NaCl (-11.07, -5.09) Halite 1.531e-02 1.429e-02 1.633e-02 NaCl (-11.07, -5.09)
Sylvite 2.520e-03 2.392e-03 2.648e-03 KCl ( -9.47, -4.60) Sylvite 2.520e-03 2.392e-03 2.648e-03 KCl ( -9.47, -4.60)
Redox mole transfers: Redox mole transfers:
Fe(3) 7.909e-04 Fe(3) 7.911e-04
H(0) -1.219e-09 H(0) -1.219e-09
S(-2) -1.843e-03 S(-2) -1.843e-03
Sum of residuals (epsilons in documentation): 3.320e+00 Sum of residuals (epsilons in documentation): 3.311e+00
Sum of delta/uncertainty limit: 7.370e+00 Sum of delta/uncertainty limit: 7.361e+00
Maximum fractional error in element concentration: 5.000e-02 Maximum fractional error in element concentration: 5.000e-02
Model contains minimum number of phases. Model contains minimum number of phases.

2
phreeqc3-examples/ex19.out
View File

@ -13,7 +13,7 @@ Reading data base.
EXCHANGE_SPECIES EXCHANGE_SPECIES
SURFACE_MASTER_SPECIES SURFACE_MASTER_SPECIES
SURFACE_SPECIES SURFACE_SPECIES
CALCULATE_VALUES MEAN_GAMMAS
RATES RATES
END END
------------------------------------ ------------------------------------

2
phreeqc3-examples/ex19b.out
View File

@ -13,7 +13,7 @@ Reading data base.
EXCHANGE_SPECIES EXCHANGE_SPECIES
SURFACE_MASTER_SPECIES SURFACE_MASTER_SPECIES
SURFACE_SPECIES SURFACE_SPECIES
CALCULATE_VALUES MEAN_GAMMAS
RATES RATES
END END
------------------------------------ ------------------------------------

2
phreeqc3-examples/ex2.out
View File

@ -13,7 +13,7 @@ Reading data base.
EXCHANGE_SPECIES EXCHANGE_SPECIES
SURFACE_MASTER_SPECIES SURFACE_MASTER_SPECIES
SURFACE_SPECIES SURFACE_SPECIES
CALCULATE_VALUES MEAN_GAMMAS
RATES RATES
END END
------------------------------------ ------------------------------------

6
phreeqc3-examples/ex21.out
View File

@ -1,4 +1,4 @@
Input file: ex21 Input file: ../examples/ex21
Output file: ex21.out Output file: ex21.out
Database file: ../database/phreeqc.dat Database file: ../database/phreeqc.dat
@ -939,7 +939,3 @@ Calculating transport: 1 (mobile) cells, 1120 shifts, 1 mixruns...
END END
--------------------------------
End of Run after 54.706 Seconds.
--------------------------------

2
phreeqc3-examples/ex22.out
View File

@ -13,7 +13,7 @@ Reading data base.
EXCHANGE_SPECIES EXCHANGE_SPECIES
SURFACE_MASTER_SPECIES SURFACE_MASTER_SPECIES
SURFACE_SPECIES SURFACE_SPECIES
CALCULATE_VALUES MEAN_GAMMAS
RATES RATES
END END
------------------------------------ ------------------------------------

2
phreeqc3-examples/ex2b.out
View File

@ -13,7 +13,7 @@ Reading data base.
EXCHANGE_SPECIES EXCHANGE_SPECIES
SURFACE_MASTER_SPECIES SURFACE_MASTER_SPECIES
SURFACE_SPECIES SURFACE_SPECIES
CALCULATE_VALUES MEAN_GAMMAS
RATES RATES
END END
------------------------------------ ------------------------------------

554
phreeqc3-examples/ex3.out
View File

@ -13,7 +13,7 @@ Reading data base.
EXCHANGE_SPECIES EXCHANGE_SPECIES
SURFACE_MASTER_SPECIES SURFACE_MASTER_SPECIES
SURFACE_SPECIES SURFACE_SPECIES
CALCULATE_VALUES MEAN_GAMMAS
RATES RATES
END END
------------------------------------ ------------------------------------
@ -104,62 +104,62 @@ Using pure phase assemblage 1.
Moles in assemblage Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta Phase SI log IAP log K(T, P) Initial Final Delta
CO2(g) -2.00 -3.47 -1.47 1.000e+01 9.998e+00 -1.976e-03 CO2(g) -2.00 -3.47 -1.47 1.000e+01 9.998e+00 -1.953e-03
Calcite 0.00 -8.48 -8.48 1.000e+01 9.998e+00 -1.645e-03 Calcite 0.00 -8.48 -8.48 1.000e+01 9.998e+00 -1.623e-03
-----------------------------Solution composition------------------------------ -----------------------------Solution composition------------------------------
Elements Molality Moles Elements Molality Moles
C 3.622e-03 3.621e-03 C 3.576e-03 3.576e-03
Ca 1.645e-03 1.645e-03 Ca 1.623e-03 1.623e-03
----------------------------Description of solution---------------------------- ----------------------------Description of solution----------------------------
pH = 7.297 Charge balance pH = 7.295 Charge balance
pe = -1.575 Adjusted to redox equilibrium pe = -1.573 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 308 Specific Conductance (µS/cm, 25°C) = 307
Density (g/cm³) = 0.99726 Density (g/cm³) = 0.99726
Volume (L) = 1.00300 Volume (L) = 1.00300
Viscosity (mPa s) = 0.89219 Viscosity (mPa s) = 0.89219
Activity of water = 1.000 Activity of water = 1.000
Ionic strength (mol/kgw) = 4.826e-03 Ionic strength (mol/kgw) = 4.826e-03
Mass of water (kg) = 1.000e+00 Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 3.291e-03 Total alkalinity (eq/kg) = 3.245e-03
Total CO2 (mol/kg) = 3.622e-03 Total CO2 (mol/kg) = 3.576e-03
Temperature (°C) = 25.00 Temperature (°C) = 25.00
Electrical balance (eq) = -1.217e-09 Electrical balance (eq) = -1.217e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 17 Iterations = 17
Total H = 1.110124e+02 Total H = 1.110124e+02
Total O = 5.551511e+01 Total O = 5.551499e+01
----------------------------Distribution of species---------------------------- ----------------------------Distribution of species----------------------------
Log Log Log mole V Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol Species Molality Activity Molality Activity Gamma cm³/mol
OH- 2.162e-07 2.005e-07 -6.665 -6.698 -0.033 -4.07 OH- 2.154e-07 1.998e-07 -6.667 -6.699 -0.033 -4.07
H+ 5.402e-08 5.048e-08 -7.267 -7.297 -0.029 0.00 H+ 5.421e-08 5.066e-08 -7.266 -7.295 -0.029 0.00
H2O 5.551e+01 9.999e-01 1.744 -0.000 0.000 18.07 H2O 5.551e+01 9.999e-01 1.744 -0.000 0.000 18.07
C(-4) 1.399e-25 C(-4) 1.394e-25
CH4 1.399e-25 1.401e-25 -24.854 -24.854 0.000 35.46 CH4 1.394e-25 1.396e-25 -24.856 -24.855 0.000 35.46
C(4) 3.622e-03 C(4) 3.576e-03
HCO3- 3.223e-03 2.998e-03 -2.492 -2.523 -0.032 24.62 HCO3- 3.212e-03 2.987e-03 -2.493 -2.525 -0.032 24.62
CO2 3.400e-04 3.403e-04 -3.469 -3.468 0.000 34.43 CO2 3.400e-04 3.403e-04 -3.469 -3.468 0.000 34.43
CaHCO3+ 4.886e-05 4.548e-05 -4.311 -4.342 -0.031 9.70 CaHCO3+ 1.483e-05 1.380e-05 -4.829 -4.860 -0.031 122.67
CaCO3 5.557e-06 5.563e-06 -5.255 -5.255 0.000 -14.60 CaCO3 5.557e-06 5.563e-06 -5.255 -5.255 0.000 -14.60
CO3-2 3.723e-06 2.785e-06 -5.429 -5.555 -0.126 -3.79 CO3-2 3.697e-06 2.765e-06 -5.432 -5.558 -0.126 -3.79
(CO2)2 2.123e-09 2.125e-09 -8.673 -8.673 0.000 68.87 (CO2)2 2.123e-09 2.125e-09 -8.673 -8.673 0.000 68.87
Ca 1.645e-03 Ca 1.623e-03
Ca+2 1.591e-03 1.189e-03 -2.798 -2.925 -0.126 -18.02 Ca+2 1.602e-03 1.198e-03 -2.795 -2.922 -0.126 -18.02
CaHCO3+ 4.886e-05 4.548e-05 -4.311 -4.342 -0.031 9.70 CaHCO3+ 1.483e-05 1.380e-05 -4.829 -4.860 -0.031 122.67
CaCO3 5.557e-06 5.563e-06 -5.255 -5.255 0.000 -14.60 CaCO3 5.557e-06 5.563e-06 -5.255 -5.255 0.000 -14.60
CaOH+ 4.212e-09 3.909e-09 -8.376 -8.408 -0.032 (0) CaOH+ 4.227e-09 3.923e-09 -8.374 -8.406 -0.032 (0)
H(0) 5.089e-15 H(0) 5.084e-15
H2 2.544e-15 2.547e-15 -14.594 -14.594 0.000 28.61 H2 2.542e-15 2.545e-15 -14.595 -14.594 0.000 28.61
O(0) 0.000e+00 O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -63.193 -63.192 0.000 30.40 O2 0.000e+00 0.000e+00 -63.192 -63.191 0.000 30.40
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
@ -167,7 +167,7 @@ O(0) 0.000e+00
Aragonite -0.14 -8.48 -8.34 CaCO3 Aragonite -0.14 -8.48 -8.34 CaCO3
Calcite 0.00 -8.48 -8.48 CaCO3 Calcite 0.00 -8.48 -8.48 CaCO3
CH4(g) -22.05 -24.85 -2.80 CH4 CH4(g) -22.05 -24.86 -2.80 CH4
CO2(g) -2.00 -3.47 -1.47 CO2 Pressure 0.0 atm, phi 1.000 CO2(g) -2.00 -3.47 -1.47 CO2 Pressure 0.0 atm, phi 1.000
H2(g) -11.49 -14.59 -3.10 H2 H2(g) -11.49 -14.59 -3.10 H2
H2O(g) -1.50 -0.00 1.50 H2O H2O(g) -1.50 -0.00 1.50 H2O
@ -229,48 +229,48 @@ Initial solution 2. Seawater
pH = 8.220 pH = 8.220
pe = 8.451 pe = 8.451
Specific Conductance (µS/cm, 25°C) = 52855 Specific Conductance (µS/cm, 25°C) = 52856
Density (g/cm³) = 1.02328 Density (g/cm³) = 1.02328
Volume (L) = 1.01278 Volume (L) = 1.01278
Viscosity (mPa s) = 0.96027 Viscosity (mPa s) = 0.96029
Activity of water = 0.981 Activity of water = 0.981
Ionic strength (mol/kgw) = 6.704e-01 Ionic strength (mol/kgw) = 6.704e-01
Mass of water (kg) = 1.000e+00 Mass of water (kg) = 1.000e+00
Total carbon (mol/kg) = 2.240e-03 Total carbon (mol/kg) = 2.238e-03
Total CO2 (mol/kg) = 2.240e-03 Total CO2 (mol/kg) = 2.238e-03
Temperature (°C) = 25.00 Temperature (°C) = 25.00
Electrical balance (eq) = 7.967e-04 Electrical balance (eq) = 7.967e-04
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.07 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.07
Iterations = 8 Iterations = 8
Total H = 1.110148e+02 Total H = 1.110148e+02
Total O = 5.563027e+01 Total O = 5.563026e+01
----------------------------Distribution of species---------------------------- ----------------------------Distribution of species----------------------------
Log Log Log mole V Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol Species Molality Activity Molality Activity Gamma cm³/mol
OH- 2.703e-06 1.647e-06 -5.568 -5.783 -0.215 -2.64 OH- 2.703e-06 1.647e-06 -5.568 -5.783 -0.215 -2.63
H+ 7.981e-09 6.026e-09 -8.098 -8.220 -0.122 0.00 H+ 7.981e-09 6.026e-09 -8.098 -8.220 -0.122 0.00
H2O 5.551e+01 9.806e-01 1.744 -0.008 0.000 18.07 H2O 5.551e+01 9.806e-01 1.744 -0.008 0.000 18.07
C(4) 2.240e-03 C(4) 2.238e-03
HCO3- 1.520e-03 1.027e-03 -2.818 -2.988 -0.170 25.99 HCO3- 1.541e-03 1.041e-03 -2.812 -2.982 -0.170 25.99
MgHCO3+ 2.745e-04 1.727e-04 -3.562 -3.763 -0.201 5.82 MgHCO3+ 2.783e-04 1.751e-04 -3.556 -3.757 -0.201 5.82
NaHCO3 2.221e-04 3.024e-04 -3.653 -3.519 0.134 31.73 NaHCO3 2.252e-04 3.066e-04 -3.647 -3.513 0.134 31.73
MgCO3 9.395e-05 1.096e-04 -4.027 -3.960 0.067 -17.09 MgCO3 9.524e-05 1.111e-04 -4.021 -3.954 0.067 -17.09
CaHCO3+ 4.704e-05 3.256e-05 -4.328 -4.487 -0.160 9.96 CO3-2 3.889e-05 8.104e-06 -4.410 -5.091 -0.681 -0.52
CO3-2 3.835e-05 7.993e-06 -4.416 -5.097 -0.681 -0.52 CaCO3 2.908e-05 3.393e-05 -4.536 -4.469 0.067 -14.60
CaCO3 2.859e-05 3.337e-05 -4.544 -4.477 0.067 -14.60 CaHCO3+ 1.446e-05 1.001e-05 -4.840 -5.000 -0.160 122.92
CO2 1.281e-05 1.419e-05 -4.892 -4.848 0.044 34.43 CO2 1.299e-05 1.438e-05 -4.886 -4.842 0.044 34.43
KHCO3 2.929e-06 2.972e-06 -5.533 -5.527 0.006 41.03 KHCO3 2.970e-06 3.013e-06 -5.527 -5.521 0.006 41.03
(CO2)2 3.166e-12 3.695e-12 -11.499 -11.432 0.067 68.87 (CO2)2 3.254e-12 3.798e-12 -11.488 -11.420 0.067 68.87
Ca 1.066e-02 Ca 1.066e-02
Ca+2 9.933e-03 2.485e-03 -2.003 -2.605 -0.602 -16.70 Ca+2 9.964e-03 2.493e-03 -2.002 -2.603 -0.602 -16.70
CaSO4 6.518e-04 7.606e-04 -3.186 -3.119 0.067 7.50 CaSO4 6.537e-04 7.628e-04 -3.185 -3.118 0.067 7.50
CaHCO3+ 4.704e-05 3.256e-05 -4.328 -4.487 -0.160 9.96 CaCO3 2.908e-05 3.393e-05 -4.536 -4.469 0.067 -14.60
CaCO3 2.859e-05 3.337e-05 -4.544 -4.477 0.067 -14.60 CaHCO3+ 1.446e-05 1.001e-05 -4.840 -5.000 -0.160 122.92
CaOH+ 8.992e-08 6.712e-08 -7.046 -7.173 -0.127 (0) CaOH+ 9.020e-08 6.732e-08 -7.045 -7.172 -0.127 (0)
CaHSO4+ 4.036e-11 3.012e-11 -10.394 -10.521 -0.127 (0) CaHSO4+ 4.048e-11 3.021e-11 -10.393 -10.520 -0.127 (0)
Cl 5.657e-01 Cl 5.657e-01
Cl- 5.657e-01 3.570e-01 -0.247 -0.447 -0.200 18.79 Cl- 5.657e-01 3.570e-01 -0.247 -0.447 -0.200 18.79
HCl 3.842e-10 7.411e-10 -9.415 -9.130 0.285 (0) HCl 3.842e-10 7.411e-10 -9.415 -9.130 0.285 (0)
@ -278,34 +278,34 @@ H(0) 5.521e-37
H2 2.760e-37 3.221e-37 -36.559 -36.492 0.067 28.61 H2 2.760e-37 3.221e-37 -36.559 -36.492 0.067 28.61
K 1.058e-02 K 1.058e-02
K+ 1.039e-02 6.478e-03 -1.983 -2.189 -0.205 9.66 K+ 1.039e-02 6.478e-03 -1.983 -2.189 -0.205 9.66
KSO4- 1.873e-04 1.697e-04 -3.728 -3.770 -0.043 11.35 KSO4- 1.873e-04 1.696e-04 -3.728 -3.770 -0.043 11.34
KHCO3 2.929e-06 2.972e-06 -5.533 -5.527 0.006 41.03 KHCO3 2.970e-06 3.013e-06 -5.527 -5.521 0.006 41.03
Mg 5.507e-02 Mg 5.507e-02
Mg+2 4.980e-02 1.437e-02 -1.303 -1.842 -0.540 -20.42 Mg+2 4.979e-02 1.437e-02 -1.303 -1.842 -0.540 -20.42
MgSO4 4.757e-03 6.477e-03 -2.323 -2.189 0.134 -7.92 MgSO4 4.756e-03 6.476e-03 -2.323 -2.189 0.134 -7.92
MgHCO3+ 2.745e-04 1.727e-04 -3.562 -3.763 -0.201 5.82 MgHCO3+ 2.783e-04 1.751e-04 -3.556 -3.757 -0.201 5.82
Mg(SO4)2-2 1.297e-04 3.672e-05 -3.887 -4.435 -0.548 32.91 Mg(SO4)2-2 1.296e-04 3.671e-05 -3.887 -4.435 -0.548 32.91
MgCO3 9.395e-05 1.096e-04 -4.027 -3.960 0.067 -17.09 MgCO3 9.524e-05 1.111e-04 -4.021 -3.954 0.067 -17.09
MgOH+ 1.205e-05 8.493e-06 -4.919 -5.071 -0.152 (0) MgOH+ 1.205e-05 8.493e-06 -4.919 -5.071 -0.152 (0)
Na 4.854e-01 Na 4.854e-01
Na+ 4.712e-01 3.381e-01 -0.327 -0.471 -0.144 -0.51 Na+ 4.712e-01 3.381e-01 -0.327 -0.471 -0.144 -0.51
NaSO4- 1.396e-02 9.474e-03 -1.855 -2.023 -0.168 8.22 NaSO4- 1.396e-02 9.473e-03 -1.855 -2.024 -0.168 8.22
NaHCO3 2.221e-04 3.024e-04 -3.653 -3.519 0.134 31.73 NaHCO3 2.252e-04 3.066e-04 -3.647 -3.513 0.134 31.73
NaOH 4.773e-17 5.570e-17 -16.321 -16.254 0.067 (0) NaOH 4.773e-17 5.570e-17 -16.321 -16.254 0.067 (0)
O(0) 6.622e-20 O(0) 6.622e-20
O2 3.311e-20 3.864e-20 -19.480 -19.413 0.067 30.40 O2 3.311e-20 3.864e-20 -19.480 -19.413 0.067 30.40
S(6) 2.926e-02 S(6) 2.926e-02
NaSO4- 1.396e-02 9.474e-03 -1.855 -2.023 -0.168 8.22 NaSO4- 1.396e-02 9.473e-03 -1.855 -2.024 -0.168 8.22
SO4-2 9.440e-03 1.721e-03 -2.025 -2.764 -0.739 38.41 SO4-2 9.440e-03 1.721e-03 -2.025 -2.764 -0.739 38.42
MgSO4 4.757e-03 6.477e-03 -2.323 -2.189 0.134 -7.92 MgSO4 4.756e-03 6.476e-03 -2.323 -2.189 0.134 -7.92
CaSO4 6.518e-04 7.606e-04 -3.186 -3.119 0.067 7.50 CaSO4 6.537e-04 7.628e-04 -3.185 -3.118 0.067 7.50
KSO4- 1.873e-04 1.697e-04 -3.728 -3.770 -0.043 11.35 KSO4- 1.873e-04 1.696e-04 -3.728 -3.770 -0.043 11.34
Mg(SO4)2-2 1.297e-04 3.672e-05 -3.887 -4.435 -0.548 32.91 Mg(SO4)2-2 1.296e-04 3.671e-05 -3.887 -4.435 -0.548 32.91
HSO4- 1.351e-09 1.008e-09 -8.869 -8.996 -0.127 40.96 HSO4- 1.351e-09 1.008e-09 -8.869 -8.996 -0.127 40.96
CaHSO4+ 4.036e-11 3.012e-11 -10.394 -10.521 -0.127 (0) CaHSO4+ 4.048e-11 3.021e-11 -10.393 -10.520 -0.127 (0)
Si 7.382e-05 Si 7.382e-05
H4SiO4 7.062e-05 8.241e-05 -4.151 -4.084 0.067 52.08 H4SiO4 7.062e-05 8.241e-05 -4.151 -4.084 0.067 52.08
H3SiO4- 3.205e-06 2.016e-06 -5.494 -5.695 -0.201 28.72 H3SiO4- 3.205e-06 2.017e-06 -5.494 -5.695 -0.201 28.72
H2SiO4-2 1.092e-10 2.276e-11 -9.962 -10.643 -0.681 (0) H2SiO4-2 1.092e-10 2.276e-11 -9.962 -10.643 -0.681 (0)
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
@ -313,15 +313,15 @@ Si 7.382e-05
Phase SI** log IAP log K(298 K, 1 atm) Phase SI** log IAP log K(298 K, 1 atm)
Anhydrite -1.09 -5.37 -4.28 CaSO4 Anhydrite -1.09 -5.37 -4.28 CaSO4
Aragonite 0.63 -7.70 -8.34 CaCO3 Aragonite 0.64 -7.69 -8.34 CaCO3
Arcanite -5.26 -7.14 -1.88 K2SO4 Arcanite -5.26 -7.14 -1.88 K2SO4
Calcite 0.78 -7.70 -8.48 CaCO3 Calcite 0.79 -7.69 -8.48 CaCO3
Chalcedony -0.52 -4.07 -3.55 SiO2 Chalcedony -0.52 -4.07 -3.55 SiO2
Chrysotile 3.42 35.62 32.20 Mg3Si2O5(OH)4 Chrysotile 3.41 35.62 32.20 Mg3Si2O5(OH)4
CO2(g) -3.38 -4.85 -1.47 CO2 CO2(g) -3.37 -4.84 -1.47 CO2
Dolomite 2.44 -14.64 -17.08 CaMg(CO3)2 Dolomite 2.46 -14.63 -17.08 CaMg(CO3)2
Epsomite -2.93 -4.67 -1.74 MgSO4:7H2O Epsomite -2.93 -4.67 -1.74 MgSO4:7H2O
Gypsum -0.80 -5.39 -4.58 CaSO4:2H2O Gypsum -0.80 -5.38 -4.58 CaSO4:2H2O
H2(g) -33.39 -36.49 -3.10 H2 H2(g) -33.39 -36.49 -3.10 H2
H2O(g) -1.51 -0.01 1.50 H2O H2O(g) -1.51 -0.01 1.50 H2O
Halite -2.49 -0.92 1.57 NaCl Halite -2.49 -0.92 1.57 NaCl
@ -377,8 +377,8 @@ Mixture 1.
Elements Molality Moles Elements Molality Moles
C 3.207e-03 3.207e-03 C 3.175e-03 3.175e-03
Ca 4.350e-03 4.350e-03 Ca 4.334e-03 4.334e-03
Cl 1.697e-01 1.697e-01 Cl 1.697e-01 1.697e-01
K 3.173e-03 3.173e-03 K 3.173e-03 3.173e-03
Mg 1.652e-02 1.652e-02 Mg 1.652e-02 1.652e-02
@ -388,93 +388,93 @@ Mixture 1.
----------------------------Description of solution---------------------------- ----------------------------Description of solution----------------------------
pH = 7.326 Charge balance pH = 7.327 Charge balance
pe = 10.569 Adjusted to redox equilibrium pe = 10.559 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 18310 Specific Conductance (µS/cm, 25°C) = 18310
Density (g/cm³) = 1.00527 Density (g/cm³) = 1.00526
Volume (L) = 1.00578 Volume (L) = 1.00578
Viscosity (mPa s) = 0.91372 Viscosity (mPa s) = 0.91373
Activity of water = 0.994 Activity of water = 0.994
Ionic strength (mol/kgw) = 2.068e-01 Ionic strength (mol/kgw) = 2.068e-01
Mass of water (kg) = 1.000e+00 Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 3.026e-03 Total alkalinity (eq/kg) = 2.994e-03
Total CO2 (mol/kg) = 3.207e-03 Total CO2 (mol/kg) = 3.175e-03
Temperature (°C) = 25.00 Temperature (°C) = 25.00
Electrical balance (eq) = 2.390e-04 Electrical balance (eq) = 2.390e-04
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.07 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.07
Iterations = 16 Iterations = 16
Total H = 1.110131e+02 Total H = 1.110131e+02
Total O = 5.554965e+01 Total O = 5.554957e+01
----------------------------Distribution of species---------------------------- ----------------------------Distribution of species----------------------------
Log Log Log mole V Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol Species Molality Activity Molality Activity Gamma cm³/mol
OH- 3.025e-07 2.130e-07 -6.519 -6.672 -0.152 -3.48 OH- 3.031e-07 2.134e-07 -6.518 -6.671 -0.152 -3.48
H+ 5.933e-08 4.724e-08 -7.227 -7.326 -0.099 0.00 H+ 5.921e-08 4.715e-08 -7.228 -7.327 -0.099 0.00
H2O 5.551e+01 9.941e-01 1.744 -0.003 0.000 18.07 H2O 5.551e+01 9.941e-01 1.744 -0.003 0.000 18.07
C(-4) 0.000e+00 C(-4) 0.000e+00
CH4 0.000e+00 0.000e+00 -122.465 -122.445 0.021 35.46 CH4 0.000e+00 0.000e+00 -122.395 -122.374 0.021 35.46
C(4) 3.207e-03 C(4) 3.175e-03
HCO3- 2.617e-03 1.947e-03 -2.582 -2.711 -0.128 25.15 HCO3- 2.615e-03 1.945e-03 -2.583 -2.711 -0.128 25.15
CO2 2.016e-04 2.080e-04 -3.696 -3.682 0.014 34.43 CO2 2.010e-04 2.074e-04 -3.697 -3.683 0.014 34.43
NaHCO3 1.641e-04 1.805e-04 -3.785 -3.743 0.041 31.73 NaHCO3 1.640e-04 1.804e-04 -3.785 -3.744 0.041 31.73
MgHCO3+ 1.612e-04 1.154e-04 -3.793 -3.938 -0.145 5.72 MgHCO3+ 1.611e-04 1.153e-04 -3.793 -3.938 -0.145 5.72
CaHCO3+ 4.236e-05 3.196e-05 -4.373 -4.495 -0.122 9.88 CaHCO3+ 1.284e-05 9.686e-06 -4.892 -5.014 -0.122 122.85
MgCO3 8.908e-06 9.342e-06 -5.050 -5.030 0.021 -17.09 MgCO3 8.919e-06 9.354e-06 -5.050 -5.029 0.021 -17.09
CO3-2 6.305e-06 1.933e-06 -5.200 -5.714 -0.514 -2.19 CO3-2 6.313e-06 1.935e-06 -5.200 -5.713 -0.514 -2.19
CaCO3 3.984e-06 4.178e-06 -5.400 -5.379 0.021 -14.60 CaCO3 4.001e-06 4.196e-06 -5.398 -5.377 0.021 -14.60
KHCO3 1.917e-06 1.926e-06 -5.717 -5.715 0.002 41.03 KHCO3 1.915e-06 1.924e-06 -5.718 -5.716 0.002 41.03
(CO2)2 7.575e-10 7.944e-10 -9.121 -9.100 0.021 68.87 (CO2)2 7.531e-10 7.898e-10 -9.123 -9.102 0.021 68.87
Ca 4.350e-03 Ca 4.334e-03
Ca+2 4.041e-03 1.287e-03 -2.394 -2.891 -0.497 -17.20 Ca+2 4.054e-03 1.291e-03 -2.392 -2.889 -0.497 -17.20
CaSO4 2.631e-04 2.759e-04 -3.580 -3.559 0.021 7.50 CaSO4 2.639e-04 2.767e-04 -3.579 -3.558 0.021 7.50
CaHCO3+ 4.236e-05 3.196e-05 -4.373 -4.495 -0.122 9.88 CaHCO3+ 1.284e-05 9.686e-06 -4.892 -5.014 -0.122 122.85
CaCO3 3.984e-06 4.178e-06 -5.400 -5.379 0.021 -14.60 CaCO3 4.001e-06 4.196e-06 -5.398 -5.377 0.021 -14.60
CaOH+ 6.031e-09 4.494e-09 -8.220 -8.347 -0.128 (0) CaOH+ 6.063e-09 4.517e-09 -8.217 -8.345 -0.128 (0)
CaHSO4+ 1.150e-10 8.567e-11 -9.939 -10.067 -0.128 (0) CaHSO4+ 1.151e-10 8.576e-11 -9.939 -10.067 -0.128 (0)
Cl 1.697e-01 Cl 1.697e-01
Cl- 1.697e-01 1.210e-01 -0.770 -0.917 -0.147 18.46 Cl- 1.697e-01 1.210e-01 -0.770 -0.917 -0.147 18.46
HCl 1.608e-09 1.970e-09 -8.794 -8.706 0.088 (0) HCl 1.605e-09 1.965e-09 -8.795 -8.707 0.088 (0)
H(0) 2.192e-39 H(0) 2.284e-39
H2 1.096e-39 1.149e-39 -38.960 -38.940 0.021 28.61 H2 1.142e-39 1.198e-39 -38.942 -38.922 0.021 28.61
K 3.173e-03 K 3.173e-03
K+ 3.122e-03 2.214e-03 -2.506 -2.655 -0.149 9.35 K+ 3.122e-03 2.214e-03 -2.506 -2.655 -0.149 9.35
KSO4- 4.986e-05 4.062e-05 -4.302 -4.391 -0.089 14.03 KSO4- 4.986e-05 4.061e-05 -4.302 -4.391 -0.089 14.03
KHCO3 1.917e-06 1.926e-06 -5.717 -5.715 0.002 41.03 KHCO3 1.915e-06 1.924e-06 -5.718 -5.716 0.002 41.03
Mg 1.652e-02 Mg 1.652e-02
Mg+2 1.488e-02 5.065e-03 -1.827 -2.295 -0.468 -20.91 Mg+2 1.488e-02 5.065e-03 -1.827 -2.295 -0.468 -20.91
MgSO4 1.454e-03 1.599e-03 -2.838 -2.796 0.041 -7.92 MgSO4 1.454e-03 1.599e-03 -2.838 -2.796 0.041 -7.92
MgHCO3+ 1.612e-04 1.154e-04 -3.793 -3.938 -0.145 5.72 MgHCO3+ 1.611e-04 1.153e-04 -3.793 -3.938 -0.145 5.72
Mg(SO4)2-2 1.764e-05 6.350e-06 -4.753 -5.197 -0.444 24.64 Mg(SO4)2-2 1.764e-05 6.349e-06 -4.754 -5.197 -0.444 24.64
MgCO3 8.908e-06 9.342e-06 -5.050 -5.030 0.021 -17.09 MgCO3 8.919e-06 9.354e-06 -5.050 -5.029 0.021 -17.09
MgOH+ 5.074e-07 3.870e-07 -6.295 -6.412 -0.118 (0) MgOH+ 5.085e-07 3.878e-07 -6.294 -6.411 -0.118 (0)
Na 1.456e-01 Na 1.456e-01
Na+ 1.427e-01 1.065e-01 -0.846 -0.973 -0.127 -0.92 Na+ 1.427e-01 1.065e-01 -0.846 -0.973 -0.127 -0.92
NaSO4- 2.801e-03 2.089e-03 -2.553 -2.680 -0.127 -0.72 NaSO4- 2.801e-03 2.089e-03 -2.553 -2.680 -0.127 -0.72
NaHCO3 1.641e-04 1.805e-04 -3.785 -3.743 0.041 31.73 NaHCO3 1.640e-04 1.804e-04 -3.785 -3.744 0.041 31.73
NaOH 2.162e-18 2.267e-18 -17.665 -17.645 0.021 (0) NaOH 2.166e-18 2.272e-18 -17.664 -17.644 0.021 (0)
O(0) 5.947e-15 O(0) 5.475e-15
O2 2.973e-15 3.119e-15 -14.527 -14.506 0.021 30.40 O2 2.738e-15 2.871e-15 -14.563 -14.542 0.021 30.40
S(-2) 0.000e+00 S(-2) 0.000e+00
HS- 0.000e+00 0.000e+00 -119.590 -119.742 -0.152 21.00 HS- 0.000e+00 0.000e+00 -119.519 -119.672 -0.152 21.00
H2S 0.000e+00 0.000e+00 -120.147 -120.126 0.021 36.27 H2S 0.000e+00 0.000e+00 -120.077 -120.056 0.021 36.27
S-2 0.000e+00 0.000e+00 -124.804 -125.335 -0.531 (0) S-2 0.000e+00 0.000e+00 -124.732 -125.263 -0.531 (0)
(H2S)2 0.000e+00 0.000e+00 -241.552 -241.531 0.021 30.09 (H2S)2 0.000e+00 0.000e+00 -241.412 -241.391 0.021 30.09
S(6) 8.777e-03 S(6) 8.777e-03
SO4-2 4.174e-03 1.206e-03 -2.379 -2.919 -0.539 28.42 SO4-2 4.174e-03 1.206e-03 -2.379 -2.919 -0.539 28.42
NaSO4- 2.801e-03 2.089e-03 -2.553 -2.680 -0.127 -0.72 NaSO4- 2.801e-03 2.089e-03 -2.553 -2.680 -0.127 -0.72
MgSO4 1.454e-03 1.599e-03 -2.838 -2.796 0.041 -7.92 MgSO4 1.454e-03 1.599e-03 -2.838 -2.796 0.041 -7.92
CaSO4 2.631e-04 2.759e-04 -3.580 -3.559 0.021 7.50 CaSO4 2.639e-04 2.767e-04 -3.579 -3.558 0.021 7.50
KSO4- 4.986e-05 4.062e-05 -4.302 -4.391 -0.089 14.03 KSO4- 4.986e-05 4.061e-05 -4.302 -4.391 -0.089 14.03
Mg(SO4)2-2 1.764e-05 6.350e-06 -4.753 -5.197 -0.444 24.64 Mg(SO4)2-2 1.764e-05 6.349e-06 -4.754 -5.197 -0.444 24.64
HSO4- 7.433e-09 5.538e-09 -8.129 -8.257 -0.128 40.66 HSO4- 7.416e-09 5.526e-09 -8.130 -8.258 -0.128 40.66
CaHSO4+ 1.150e-10 8.567e-11 -9.939 -10.067 -0.128 (0) CaHSO4+ 1.151e-10 8.576e-11 -9.939 -10.067 -0.128 (0)
Si 2.215e-05 Si 2.215e-05
H4SiO4 2.205e-05 2.312e-05 -4.657 -4.636 0.021 52.08 H4SiO4 2.205e-05 2.312e-05 -4.657 -4.636 0.021 52.08
H3SiO4- 1.008e-07 7.217e-08 -6.996 -7.142 -0.145 28.37 H3SiO4- 1.010e-07 7.231e-08 -6.996 -7.141 -0.145 28.37
H2SiO4-2 3.390e-13 1.039e-13 -12.470 -12.983 -0.514 (0) H2SiO4-2 3.404e-13 1.043e-13 -12.468 -12.982 -0.514 (0)
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
@ -484,28 +484,28 @@ Si 2.215e-05
Aragonite -0.27 -8.60 -8.34 CaCO3 Aragonite -0.27 -8.60 -8.34 CaCO3
Arcanite -6.35 -8.23 -1.88 K2SO4 Arcanite -6.35 -8.23 -1.88 K2SO4
Calcite -0.12 -8.60 -8.48 CaCO3 Calcite -0.12 -8.60 -8.48 CaCO3
CH4(g) -119.64 -122.44 -2.80 CH4 CH4(g) -119.57 -122.37 -2.80 CH4
Chalcedony -1.08 -4.63 -3.55 SiO2 Chalcedony -1.08 -4.63 -3.55 SiO2
Chrysotile -4.41 27.79 32.20 Mg3Si2O5(OH)4 Chrysotile -4.40 27.80 32.20 Mg3Si2O5(OH)4
CO2(g) -2.21 -3.68 -1.47 CO2 CO2(g) -2.21 -3.68 -1.47 CO2
Dolomite 0.47 -16.61 -17.08 CaMg(CO3)2 Dolomite 0.47 -16.61 -17.08 CaMg(CO3)2
Epsomite -3.49 -5.23 -1.74 MgSO4:7H2O Epsomite -3.49 -5.23 -1.74 MgSO4:7H2O
Gypsum -1.23 -5.81 -4.58 CaSO4:2H2O Gypsum -1.23 -5.81 -4.58 CaSO4:2H2O
H2(g) -35.84 -38.94 -3.10 H2 H2(g) -35.82 -38.92 -3.10 H2
H2O(g) -1.51 -0.00 1.50 H2O H2O(g) -1.51 -0.00 1.50 H2O
H2S(g) -119.13 -127.07 -7.94 H2S H2S(g) -119.06 -127.00 -7.94 H2S
Halite -3.46 -1.89 1.57 NaCl Halite -3.46 -1.89 1.57 NaCl
Hexahydrite -3.66 -5.23 -1.57 MgSO4:6H2O Hexahydrite -3.66 -5.23 -1.57 MgSO4:6H2O
Kieserite -4.06 -5.22 -1.16 MgSO4:H2O Kieserite -4.06 -5.22 -1.16 MgSO4:H2O
Mirabilite -3.65 -4.89 -1.24 Na2SO4:10H2O Mirabilite -3.65 -4.89 -1.24 Na2SO4:10H2O
O2(g) -11.61 -14.51 -2.89 O2 O2(g) -11.65 -14.54 -2.89 O2
Quartz -0.65 -4.63 -3.98 SiO2 Quartz -0.65 -4.63 -3.98 SiO2
Sepiolite -4.95 10.81 15.76 Mg2Si3O7.5OH:3H2O Sepiolite -4.95 10.81 15.76 Mg2Si3O7.5OH:3H2O
Sepiolite(d) -7.85 10.81 18.66 Mg2Si3O7.5OH:3H2O Sepiolite(d) -7.85 10.81 18.66 Mg2Si3O7.5OH:3H2O
SiO2(a) -1.92 -4.63 -2.71 SiO2 SiO2(a) -1.92 -4.63 -2.71 SiO2
Sulfur -89.22 -84.34 4.88 S Sulfur -89.17 -84.28 4.88 S
Sylvite -4.47 -3.57 0.90 KCl Sylvite -4.47 -3.57 0.90 KCl
Talc -2.86 18.53 21.40 Mg3Si4O10(OH)2 Talc -2.86 18.54 21.40 Mg3Si4O10(OH)2
Thenardite -4.56 -4.86 -0.30 Na2SO4 Thenardite -4.56 -4.86 -0.30 Na2SO4
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
@ -545,111 +545,111 @@ Using pure phase assemblage 1.
Moles in assemblage Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta Phase SI log IAP log K(T, P) Initial Final Delta
Calcite 0.00 -8.48 -8.48 1.000e+01 9.985e+00 -1.546e-02 Calcite 0.00 -8.48 -8.48 1.000e+01 9.985e+00 -1.541e-02
Dolomite -0.00 -17.08 -17.08 1.000e+01 1.001e+01 7.807e-03 Dolomite 0.00 -17.08 -17.08 1.000e+01 1.001e+01 7.786e-03
-----------------------------Solution composition------------------------------ -----------------------------Solution composition------------------------------
Elements Molality Moles Elements Molality Moles
C 3.057e-03 3.057e-03 C 3.016e-03 3.016e-03
Ca 1.201e-02 1.201e-02 Ca 1.196e-02 1.196e-02
Cl 1.697e-01 1.697e-01 Cl 1.697e-01 1.697e-01
K 3.173e-03 3.173e-03 K 3.173e-03 3.173e-03
Mg 8.713e-03 8.713e-03 Mg 8.734e-03 8.734e-03
Na 1.456e-01 1.456e-01 Na 1.456e-01 1.456e-01
S 8.777e-03 8.777e-03 S 8.777e-03 8.777e-03
Si 2.215e-05 2.215e-05 Si 2.215e-05 2.215e-05
----------------------------Description of solution---------------------------- ----------------------------Description of solution----------------------------
pH = 7.052 Charge balance pH = 7.047 Charge balance
pe = -1.301 Adjusted to redox equilibrium pe = 10.927 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 18477 Specific Conductance (µS/cm, 25°C) = 18479
Density (g/cm³) = 1.00534 Density (g/cm³) = 1.00533
Volume (L) = 1.00582 Volume (L) = 1.00583
Viscosity (mPa s) = 0.91245 Viscosity (mPa s) = 0.91249
Activity of water = 0.994 Activity of water = 0.994
Ionic strength (mol/kgw) = 2.070e-01 Ionic strength (mol/kgw) = 2.071e-01
Mass of water (kg) = 1.000e+00 Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 2.725e-03 Total alkalinity (eq/kg) = 2.677e-03
Total CO2 (mol/kg) = 3.057e-03 Total CO2 (mol/kg) = 3.016e-03
Temperature (°C) = 25.00 Temperature (°C) = 25.00
Electrical balance (eq) = 2.390e-04 Electrical balance (eq) = 2.390e-04
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.07 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.07
Iterations = 16 Iterations = 5
Total H = 1.110131e+02 Total H = 1.110131e+02
Total O = 5.554920e+01 Total O = 5.554910e+01
----------------------------Distribution of species---------------------------- ----------------------------Distribution of species----------------------------
Log Log Log mole V Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol Species Molality Activity Molality Activity Gamma cm³/mol
OH- 1.612e-07 1.135e-07 -6.793 -6.945 -0.152 -3.48 OH- 1.593e-07 1.121e-07 -6.798 -6.950 -0.152 -3.48
H+ 1.113e-07 8.865e-08 -6.953 -7.052 -0.099 0.00 H+ 1.127e-07 8.972e-08 -6.948 -7.047 -0.099 0.00
H2O 5.551e+01 9.941e-01 1.744 -0.003 0.000 18.07 H2O 5.551e+01 9.941e-01 1.744 -0.003 0.000 18.07
C(-4) 8.153e-26 C(-4) 0.000e+00
CH4 8.153e-26 8.551e-26 -25.089 -25.068 0.021 35.46 CH4 0.000e+00 0.000e+00 -122.863 -122.842 0.021 35.46
C(4) 3.057e-03 C(4) 3.016e-03
HCO3- 2.370e-03 1.764e-03 -2.625 -2.754 -0.128 25.15 HCO3- 2.394e-03 1.781e-03 -2.621 -2.749 -0.128 25.15
CO2 3.427e-04 3.536e-04 -3.465 -3.451 0.014 34.43 CO2 3.502e-04 3.614e-04 -3.456 -3.442 0.014 34.43
NaHCO3 1.486e-04 1.634e-04 -3.828 -3.787 0.041 31.73 NaHCO3 1.500e-04 1.650e-04 -3.824 -3.782 0.041 31.73
CaHCO3+ 1.059e-04 7.987e-05 -3.975 -4.098 -0.122 9.88 MgHCO3+ 7.783e-05 5.571e-05 -4.109 -4.254 -0.145 5.72
MgHCO3+ 7.690e-05 5.504e-05 -4.114 -4.259 -0.145 5.72 CaHCO3+ 3.239e-05 2.444e-05 -4.490 -4.612 -0.122 122.85
CaCO3 5.304e-06 5.563e-06 -5.275 -5.255 0.021 -14.60 CaCO3 5.304e-06 5.563e-06 -5.275 -5.255 0.021 -14.60
CO3-2 3.045e-06 9.330e-07 -5.516 -6.030 -0.514 -2.19 CO3-2 3.038e-06 9.308e-07 -5.517 -6.031 -0.514 -2.19
MgCO3 2.264e-06 2.375e-06 -5.645 -5.624 0.021 -17.09 MgCO3 2.264e-06 2.375e-06 -5.645 -5.624 0.021 -17.09
KHCO3 1.735e-06 1.743e-06 -5.761 -5.759 0.002 41.03 KHCO3 1.752e-06 1.760e-06 -5.756 -5.754 0.002 41.03
(CO2)2 2.188e-09 2.295e-09 -8.660 -8.639 0.021 68.87 (CO2)2 2.285e-09 2.397e-09 -8.641 -8.620 0.021 68.87
Ca 1.201e-02 Ca 1.196e-02
Ca+2 1.115e-02 3.550e-03 -1.953 -2.450 -0.497 -17.20 Ca+2 1.118e-02 3.558e-03 -1.952 -2.449 -0.497 -17.20
CaSO4 7.461e-04 7.826e-04 -3.127 -3.106 0.021 7.50 CaSO4 7.475e-04 7.840e-04 -3.126 -3.106 0.021 7.50
CaHCO3+ 1.059e-04 7.987e-05 -3.975 -4.098 -0.122 9.88 CaHCO3+ 3.239e-05 2.444e-05 -4.490 -4.612 -0.122 122.85
CaCO3 5.304e-06 5.563e-06 -5.275 -5.255 0.021 -14.60 CaCO3 5.304e-06 5.563e-06 -5.275 -5.255 0.021 -14.60
CaOH+ 8.866e-09 6.606e-09 -8.052 -8.180 -0.128 (0) CaOH+ 8.781e-09 6.542e-09 -8.056 -8.184 -0.128 (0)
CaHSO4+ 6.121e-10 4.560e-10 -9.213 -9.341 -0.128 (0) CaHSO4+ 6.206e-10 4.624e-10 -9.207 -9.335 -0.128 (0)
Cl 1.697e-01 Cl 1.697e-01
Cl- 1.697e-01 1.210e-01 -0.770 -0.917 -0.147 18.47 Cl- 1.697e-01 1.210e-01 -0.770 -0.917 -0.147 18.47
HCl 3.017e-09 3.696e-09 -8.520 -8.432 0.088 (0) HCl 3.053e-09 3.740e-09 -8.515 -8.427 0.088 (0)
H(0) 4.240e-15 H(0) 1.519e-39
H2 2.120e-15 2.223e-15 -14.674 -14.653 0.021 28.61 H2 7.594e-40 7.965e-40 -39.120 -39.099 0.021 28.61
K 3.173e-03 K 3.173e-03
K+ 3.120e-03 2.213e-03 -2.506 -2.655 -0.149 9.35 K+ 3.120e-03 2.213e-03 -2.506 -2.655 -0.149 9.35
KSO4- 5.125e-05 4.174e-05 -4.290 -4.379 -0.089 14.03 KSO4- 5.122e-05 4.172e-05 -4.291 -4.380 -0.089 14.03
KHCO3 1.735e-06 1.743e-06 -5.761 -5.759 0.002 41.03 KHCO3 1.752e-06 1.760e-06 -5.756 -5.754 0.002 41.03
Mg 8.713e-03 Mg 8.734e-03
Mg+2 7.837e-03 2.667e-03 -2.106 -2.574 -0.468 -20.91 Mg+2 7.855e-03 2.674e-03 -2.105 -2.573 -0.468 -20.91
MgSO4 7.871e-04 8.658e-04 -3.104 -3.063 0.041 -7.92 MgSO4 7.885e-04 8.675e-04 -3.103 -3.062 0.041 -7.92
MgHCO3+ 7.690e-05 5.504e-05 -4.114 -4.259 -0.145 5.72 MgHCO3+ 7.783e-05 5.571e-05 -4.109 -4.254 -0.145 5.72
Mg(SO4)2-2 9.826e-06 3.536e-06 -5.008 -5.452 -0.444 24.65 Mg(SO4)2-2 9.841e-06 3.541e-06 -5.007 -5.451 -0.444 24.65
MgCO3 2.264e-06 2.375e-06 -5.645 -5.624 0.021 -17.09 MgCO3 2.264e-06 2.375e-06 -5.645 -5.624 0.021 -17.09
MgOH+ 1.424e-07 1.086e-07 -6.846 -6.964 -0.118 (0) MgOH+ 1.410e-07 1.076e-07 -6.851 -6.968 -0.118 (0)
Na 1.456e-01 Na 1.456e-01
Na+ 1.426e-01 1.064e-01 -0.846 -0.973 -0.127 -0.92 Na+ 1.426e-01 1.064e-01 -0.846 -0.973 -0.127 -0.92
NaSO4- 2.879e-03 2.147e-03 -2.541 -2.668 -0.127 -0.72 NaSO4- 2.878e-03 2.146e-03 -2.541 -2.668 -0.127 -0.71
NaHCO3 1.486e-04 1.634e-04 -3.828 -3.787 0.041 31.73 NaHCO3 1.500e-04 1.650e-04 -3.824 -3.782 0.041 31.73
NaOH 1.151e-18 1.208e-18 -17.939 -17.918 0.021 (0) NaOH 1.138e-18 1.193e-18 -17.944 -17.923 0.021 (0)
O(0) 0.000e+00 O(0) 1.238e-14
O2 0.000e+00 0.000e+00 -63.100 -63.079 0.021 30.40 O2 6.191e-15 6.493e-15 -14.208 -14.188 0.021 30.40
S(-2) 1.056e-22 S(-2) 0.000e+00
HS- 6.946e-23 4.891e-23 -22.158 -22.311 -0.152 21.00 HS- 0.000e+00 0.000e+00 -119.936 -120.089 -0.152 21.00
H2S 3.615e-23 3.791e-23 -22.442 -22.421 0.021 36.27 H2S 0.000e+00 0.000e+00 -120.215 -120.194 0.021 36.27
S-2 2.264e-28 6.663e-29 -27.645 -28.176 -0.531 (0) S-2 0.000e+00 0.000e+00 -125.428 -125.960 -0.531 (0)
(H2S)2 0.000e+00 0.000e+00 -46.141 -46.121 0.021 30.09 (H2S)2 0.000e+00 0.000e+00 -241.688 -241.667 0.021 30.09
S(6) 8.777e-03 S(6) 8.777e-03
SO4-2 4.294e-03 1.240e-03 -2.367 -2.907 -0.540 28.43 SO4-2 4.293e-03 1.239e-03 -2.367 -2.907 -0.540 28.43
NaSO4- 2.879e-03 2.147e-03 -2.541 -2.668 -0.127 -0.72 NaSO4- 2.878e-03 2.146e-03 -2.541 -2.668 -0.127 -0.71
MgSO4 7.871e-04 8.658e-04 -3.104 -3.063 0.041 -7.92 MgSO4 7.885e-04 8.675e-04 -3.103 -3.062 0.041 -7.92
CaSO4 7.461e-04 7.826e-04 -3.127 -3.106 0.021 7.50 CaSO4 7.475e-04 7.840e-04 -3.126 -3.106 0.021 7.50
KSO4- 5.125e-05 4.174e-05 -4.290 -4.379 -0.089 14.03 KSO4- 5.122e-05 4.172e-05 -4.291 -4.380 -0.089 14.03
Mg(SO4)2-2 9.826e-06 3.536e-06 -5.008 -5.452 -0.444 24.65 Mg(SO4)2-2 9.841e-06 3.541e-06 -5.007 -5.451 -0.444 24.65
HSO4- 1.434e-08 1.069e-08 -7.843 -7.971 -0.128 40.66 HSO4- 1.451e-08 1.081e-08 -7.838 -7.966 -0.128 40.66
CaHSO4+ 6.121e-10 4.560e-10 -9.213 -9.341 -0.128 (0) CaHSO4+ 6.206e-10 4.624e-10 -9.207 -9.335 -0.128 (0)
Si 2.215e-05 Si 2.215e-05
H4SiO4 2.209e-05 2.317e-05 -4.656 -4.635 0.021 52.08 H4SiO4 2.209e-05 2.317e-05 -4.656 -4.635 0.021 52.08
H3SiO4- 5.385e-08 3.854e-08 -7.269 -7.414 -0.145 28.37 H3SiO4- 5.321e-08 3.808e-08 -7.274 -7.419 -0.145 28.37
H2SiO4-2 9.651e-14 2.957e-14 -13.015 -13.529 -0.514 (0) H2SiO4-2 9.424e-14 2.887e-14 -13.026 -13.540 -0.514 (0)
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
@ -659,28 +659,28 @@ Si 2.215e-05
Aragonite -0.14 -8.48 -8.34 CaCO3 Aragonite -0.14 -8.48 -8.34 CaCO3
Arcanite -6.34 -8.22 -1.88 K2SO4 Arcanite -6.34 -8.22 -1.88 K2SO4
Calcite 0.00 -8.48 -8.48 CaCO3 Calcite 0.00 -8.48 -8.48 CaCO3
CH4(g) -22.27 -25.07 -2.80 CH4 CH4(g) -120.04 -122.84 -2.80 CH4
Chalcedony -1.08 -4.63 -3.55 SiO2 Chalcedony -1.08 -4.63 -3.55 SiO2
Chrysotile -6.88 25.32 32.20 Mg3Si2O5(OH)4 Chrysotile -6.91 25.29 32.20 Mg3Si2O5(OH)4
CO2(g) -1.98 -3.45 -1.47 CO2 CO2(g) -1.97 -3.44 -1.47 CO2
Dolomite -0.00 -17.08 -17.08 CaMg(CO3)2 Dolomite 0.00 -17.08 -17.08 CaMg(CO3)2
Epsomite -3.76 -5.50 -1.74 MgSO4:7H2O Epsomite -3.76 -5.50 -1.74 MgSO4:7H2O
Gypsum -0.78 -5.36 -4.58 CaSO4:2H2O Gypsum -0.78 -5.36 -4.58 CaSO4:2H2O
H2(g) -11.55 -14.65 -3.10 H2 H2(g) -36.00 -39.10 -3.10 H2
H2O(g) -1.51 -0.00 1.50 H2O H2O(g) -1.51 -0.00 1.50 H2O
H2S(g) -21.43 -29.36 -7.94 H2S H2S(g) -119.20 -127.14 -7.94 H2S
Halite -3.46 -1.89 1.57 NaCl Halite -3.46 -1.89 1.57 NaCl
Hexahydrite -3.93 -5.50 -1.57 MgSO4:6H2O Hexahydrite -3.93 -5.50 -1.57 MgSO4:6H2O
Kieserite -4.32 -5.48 -1.16 MgSO4:H2O Kieserite -4.32 -5.48 -1.16 MgSO4:H2O
Mirabilite -3.64 -4.88 -1.24 Na2SO4:10H2O Mirabilite -3.64 -4.88 -1.24 Na2SO4:10H2O
O2(g) -60.19 -63.08 -2.89 O2 O2(g) -11.30 -14.19 -2.89 O2
Quartz -0.65 -4.63 -3.98 SiO2 Quartz -0.65 -4.63 -3.98 SiO2
Sepiolite -6.60 9.16 15.76 Mg2Si3O7.5OH:3H2O Sepiolite -6.62 9.14 15.76 Mg2Si3O7.5OH:3H2O
Sepiolite(d) -9.50 9.16 18.66 Mg2Si3O7.5OH:3H2O Sepiolite(d) -9.52 9.14 18.66 Mg2Si3O7.5OH:3H2O
SiO2(a) -1.92 -4.63 -2.71 SiO2 SiO2(a) -1.92 -4.63 -2.71 SiO2
Sulfur -15.80 -10.92 4.88 S Sulfur -89.13 -84.25 4.88 S
Sylvite -4.47 -3.57 0.90 KCl Sylvite -4.47 -3.57 0.90 KCl
Talc -5.34 16.06 21.40 Mg3Si4O10(OH)2 Talc -5.36 16.03 21.40 Mg3Si4O10(OH)2
Thenardite -4.55 -4.85 -0.30 Na2SO4 Thenardite -4.55 -4.85 -0.30 Na2SO4
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
@ -719,14 +719,14 @@ Using pure phase assemblage 2.
Moles in assemblage Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta Phase SI log IAP log K(T, P) Initial Final Delta
Calcite 0.00 -8.48 -8.48 1.000e+01 1.000e+01 -4.676e-05 Calcite 0.00 -8.48 -8.48 1.000e+01 1.000e+01 -4.587e-05
-----------------------------Solution composition------------------------------ -----------------------------Solution composition------------------------------
Elements Molality Moles Elements Molality Moles
C 3.254e-03 3.254e-03 C 3.221e-03 3.220e-03
Ca 4.397e-03 4.397e-03 Ca 4.380e-03 4.380e-03
Cl 1.697e-01 1.697e-01 Cl 1.697e-01 1.697e-01
K 3.173e-03 3.173e-03 K 3.173e-03 3.173e-03
Mg 1.652e-02 1.652e-02 Mg 1.652e-02 1.652e-02
@ -736,122 +736,122 @@ Calcite 0.00 -8.48 -8.48 1.000e+01 1.000e+01 -4.676e-05
----------------------------Description of solution---------------------------- ----------------------------Description of solution----------------------------
pH = 7.434 Charge balance pH = 7.433 Charge balance
pe = -1.771 Adjusted to redox equilibrium pe = 10.542 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 18314 Specific Conductance (µS/cm, 25°C) = 18315
Density (g/cm³) = 1.00527 Density (g/cm³) = 1.00527
Volume (L) = 1.00578 Volume (L) = 1.00578
Viscosity (mPa s) = 0.91380 Viscosity (mPa s) = 0.91380
Activity of water = 0.994 Activity of water = 0.994
Ionic strength (mol/kgw) = 2.069e-01 Ionic strength (mol/kgw) = 2.069e-01
Mass of water (kg) = 1.000e+00 Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 3.119e-03 Total alkalinity (eq/kg) = 3.085e-03
Total CO2 (mol/kg) = 3.254e-03 Total CO2 (mol/kg) = 3.221e-03
Temperature (°C) = 25.00 Temperature (°C) = 25.00
Electrical balance (eq) = 2.390e-04 Electrical balance (eq) = 2.390e-04
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.07 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.07
Iterations = 15 Iterations = 3
Total H = 1.110131e+02 Total H = 1.110131e+02
Total O = 5.554979e+01 Total O = 5.554971e+01
----------------------------Distribution of species---------------------------- ----------------------------Distribution of species----------------------------
Log Log Log mole V Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol Species Molality Activity Molality Activity Gamma cm³/mol
OH- 3.883e-07 2.734e-07 -6.411 -6.563 -0.152 -3.48 OH- 3.874e-07 2.728e-07 -6.412 -6.564 -0.152 -3.48
H+ 4.622e-08 3.680e-08 -7.335 -7.434 -0.099 0.00 H+ 4.632e-08 3.688e-08 -7.334 -7.433 -0.099 0.00
H2O 5.551e+01 9.941e-01 1.744 -0.003 0.000 18.07 H2O 5.551e+01 9.941e-01 1.744 -0.003 0.000 18.07
C(-4) 1.937e-25 C(-4) 0.000e+00
CH4 1.937e-25 2.032e-25 -24.713 -24.692 0.021 35.46 CH4 0.000e+00 0.000e+00 -123.201 -123.180 0.021 35.46
C(4) 3.254e-03 C(4) 3.221e-03
HCO3- 2.687e-03 1.999e-03 -2.571 -2.699 -0.128 25.15 HCO3- 2.685e-03 1.998e-03 -2.571 -2.699 -0.128 25.15
NaHCO3 1.685e-04 1.854e-04 -3.773 -3.732 0.041 31.73 NaHCO3 1.684e-04 1.852e-04 -3.774 -3.732 0.041 31.73
MgHCO3+ 1.655e-04 1.184e-04 -3.781 -3.926 -0.145 5.72 MgHCO3+ 1.653e-04 1.183e-04 -3.782 -3.927 -0.145 5.72
CO2 1.613e-04 1.664e-04 -3.792 -3.779 0.014 34.43 CO2 1.615e-04 1.666e-04 -3.792 -3.778 0.014 34.43
CaHCO3+ 4.394e-05 3.316e-05 -4.357 -4.479 -0.122 9.88 CaHCO3+ 1.332e-05 1.005e-05 -4.876 -4.998 -0.122 122.85
MgCO3 1.174e-05 1.231e-05 -4.930 -4.910 0.021 -17.09 MgCO3 1.170e-05 1.227e-05 -4.932 -4.911 0.021 -17.09
CO3-2 8.314e-06 2.548e-06 -5.080 -5.594 -0.514 -2.19 CO3-2 8.287e-06 2.540e-06 -5.082 -5.595 -0.514 -2.19
CaCO3 5.304e-06 5.563e-06 -5.275 -5.255 0.021 -14.60 CaCO3 5.304e-06 5.563e-06 -5.275 -5.255 0.021 -14.60
KHCO3 1.968e-06 1.977e-06 -5.706 -5.704 0.002 41.03 KHCO3 1.967e-06 1.975e-06 -5.706 -5.704 0.002 41.03
(CO2)2 4.848e-10 5.084e-10 -9.314 -9.294 0.021 68.87 (CO2)2 4.860e-10 5.097e-10 -9.313 -9.293 0.021 68.87
Ca 4.397e-03 Ca 4.380e-03
Ca+2 4.082e-03 1.300e-03 -2.389 -2.886 -0.497 -17.20 Ca+2 4.095e-03 1.304e-03 -2.388 -2.885 -0.497 -17.20
CaSO4 2.656e-04 2.786e-04 -3.576 -3.555 0.021 7.50 CaSO4 2.664e-04 2.794e-04 -3.574 -3.554 0.021 7.50
CaHCO3+ 4.394e-05 3.316e-05 -4.357 -4.479 -0.122 9.88 CaHCO3+ 1.332e-05 1.005e-05 -4.876 -4.998 -0.122 122.85
CaCO3 5.304e-06 5.563e-06 -5.275 -5.255 0.021 -14.60 CaCO3 5.304e-06 5.563e-06 -5.275 -5.255 0.021 -14.60
CaOH+ 7.820e-09 5.826e-09 -8.107 -8.235 -0.128 (0) CaOH+ 7.828e-09 5.832e-09 -8.106 -8.234 -0.128 (0)
CaHSO4+ 9.045e-11 6.739e-11 -10.044 -10.171 -0.128 (0) CaHSO4+ 9.093e-11 6.775e-11 -10.041 -10.169 -0.128 (0)
Cl 1.697e-01 Cl 1.697e-01
Cl- 1.697e-01 1.210e-01 -0.770 -0.917 -0.147 18.46 Cl- 1.697e-01 1.210e-01 -0.770 -0.917 -0.147 18.47
HCl 1.253e-09 1.534e-09 -8.902 -8.814 0.088 (0) HCl 1.255e-09 1.538e-09 -8.901 -8.813 0.088 (0)
H(0) 6.355e-15 H(0) 1.517e-39
H2 3.178e-15 3.333e-15 -14.498 -14.477 0.021 28.61 H2 7.584e-40 7.954e-40 -39.120 -39.099 0.021 28.61
K 3.173e-03 K 3.173e-03
K+ 3.122e-03 2.214e-03 -2.506 -2.655 -0.149 9.35 K+ 3.122e-03 2.214e-03 -2.506 -2.655 -0.149 9.35
KSO4- 4.984e-05 4.060e-05 -4.302 -4.391 -0.089 14.03 KSO4- 4.984e-05 4.060e-05 -4.302 -4.392 -0.089 14.03
KHCO3 1.968e-06 1.977e-06 -5.706 -5.704 0.002 41.03 KHCO3 1.967e-06 1.975e-06 -5.706 -5.704 0.002 41.03
Mg 1.652e-02 Mg 1.652e-02
Mg+2 1.487e-02 5.063e-03 -1.828 -2.296 -0.468 -20.91 Mg+2 1.487e-02 5.063e-03 -1.828 -2.296 -0.468 -20.91
MgSO4 1.452e-03 1.598e-03 -2.838 -2.797 0.041 -7.92 MgSO4 1.452e-03 1.598e-03 -2.838 -2.797 0.041 -7.92
MgHCO3+ 1.655e-04 1.184e-04 -3.781 -3.926 -0.145 5.72 MgHCO3+ 1.653e-04 1.183e-04 -3.782 -3.927 -0.145 5.72
Mg(SO4)2-2 1.763e-05 6.343e-06 -4.754 -5.198 -0.444 24.64 Mg(SO4)2-2 1.762e-05 6.342e-06 -4.754 -5.198 -0.444 24.64
MgCO3 1.174e-05 1.231e-05 -4.930 -4.910 0.021 -17.09 MgCO3 1.170e-05 1.227e-05 -4.932 -4.911 0.021 -17.09
MgOH+ 6.511e-07 4.965e-07 -6.186 -6.304 -0.118 (0) MgOH+ 6.496e-07 4.954e-07 -6.187 -6.305 -0.118 (0)
Na 1.456e-01 Na 1.456e-01
Na+ 1.427e-01 1.064e-01 -0.846 -0.973 -0.127 -0.92 Na+ 1.427e-01 1.064e-01 -0.846 -0.973 -0.127 -0.92
NaSO4- 2.800e-03 2.089e-03 -2.553 -2.680 -0.127 -0.72 NaSO4- 2.800e-03 2.088e-03 -2.553 -2.680 -0.127 -0.72
NaHCO3 1.685e-04 1.854e-04 -3.773 -3.732 0.041 31.73 NaHCO3 1.684e-04 1.852e-04 -3.774 -3.732 0.041 31.73
NaOH 2.775e-18 2.910e-18 -17.557 -17.536 0.021 (0) NaOH 2.769e-18 2.904e-18 -17.558 -17.537 0.021 (0)
O(0) 0.000e+00 O(0) 1.242e-14
O2 0.000e+00 0.000e+00 -63.451 -63.431 0.021 30.40 O2 6.209e-15 6.512e-15 -14.207 -14.186 0.021 30.40
S(-2) 1.721e-22 S(-2) 0.000e+00
HS- 1.415e-22 9.965e-23 -21.849 -22.002 -0.152 21.00 HS- 0.000e+00 0.000e+00 -120.337 -120.489 -0.152 21.00
H2S 3.057e-23 3.207e-23 -22.515 -22.494 0.021 36.27 H2S 0.000e+00 0.000e+00 -121.002 -120.981 0.021 36.27
S-2 1.111e-27 3.270e-28 -26.954 -27.485 -0.531 (0) S-2 0.000e+00 0.000e+00 -125.443 -125.974 -0.531 (0)
(H2S)2 0.000e+00 0.000e+00 -46.287 -46.266 0.021 30.09 (H2S)2 0.000e+00 0.000e+00 -243.261 -243.240 0.021 30.09
S(6) 8.777e-03 S(6) 8.777e-03
SO4-2 4.174e-03 1.205e-03 -2.379 -2.919 -0.539 28.43 SO4-2 4.174e-03 1.205e-03 -2.379 -2.919 -0.539 28.43
NaSO4- 2.800e-03 2.089e-03 -2.553 -2.680 -0.127 -0.72 NaSO4- 2.800e-03 2.088e-03 -2.553 -2.680 -0.127 -0.72
MgSO4 1.452e-03 1.598e-03 -2.838 -2.797 0.041 -7.92 MgSO4 1.452e-03 1.598e-03 -2.838 -2.797 0.041 -7.92
CaSO4 2.656e-04 2.786e-04 -3.576 -3.555 0.021 7.50 CaSO4 2.664e-04 2.794e-04 -3.574 -3.554 0.021 7.50
KSO4- 4.984e-05 4.060e-05 -4.302 -4.391 -0.089 14.03 KSO4- 4.984e-05 4.060e-05 -4.302 -4.392 -0.089 14.03
Mg(SO4)2-2 1.763e-05 6.343e-06 -4.754 -5.198 -0.444 24.64 Mg(SO4)2-2 1.762e-05 6.342e-06 -4.754 -5.198 -0.444 24.64
HSO4- 5.788e-09 4.313e-09 -8.237 -8.365 -0.128 40.66 HSO4- 5.801e-09 4.322e-09 -8.237 -8.364 -0.128 40.66
CaHSO4+ 9.045e-11 6.739e-11 -10.044 -10.171 -0.128 (0) CaHSO4+ 9.093e-11 6.775e-11 -10.041 -10.169 -0.128 (0)
Si 2.215e-05 Si 2.215e-05
H4SiO4 2.202e-05 2.309e-05 -4.657 -4.637 0.021 52.08 H4SiO4 2.202e-05 2.309e-05 -4.657 -4.637 0.021 52.08
H3SiO4- 1.293e-07 9.252e-08 -6.889 -7.034 -0.145 28.37 H3SiO4- 1.290e-07 9.232e-08 -6.890 -7.035 -0.145 28.37
H2SiO4-2 5.580e-13 1.710e-13 -12.253 -12.767 -0.514 (0) H2SiO4-2 5.555e-13 1.703e-13 -12.255 -12.769 -0.514 (0)
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(298 K, 1 atm) Phase SI** log IAP log K(298 K, 1 atm)
Anhydrite -1.53 -5.81 -4.28 CaSO4 Anhydrite -1.53 -5.80 -4.28 CaSO4
Aragonite -0.14 -8.48 -8.34 CaCO3 Aragonite -0.14 -8.48 -8.34 CaCO3
Arcanite -6.35 -8.23 -1.88 K2SO4 Arcanite -6.35 -8.23 -1.88 K2SO4
Calcite 0.00 -8.48 -8.48 CaCO3 Calcite 0.00 -8.48 -8.48 CaCO3
CH4(g) -21.89 -24.69 -2.80 CH4 CH4(g) -120.38 -123.18 -2.80 CH4
Chalcedony -1.08 -4.63 -3.55 SiO2 Chalcedony -1.08 -4.63 -3.55 SiO2
Chrysotile -3.76 28.44 32.20 Mg3Si2O5(OH)4 Chrysotile -3.76 28.44 32.20 Mg3Si2O5(OH)4
CO2(g) -2.31 -3.78 -1.47 CO2 CO2(g) -2.31 -3.78 -1.47 CO2
Dolomite 0.71 -16.37 -17.08 CaMg(CO3)2 Dolomite 0.71 -16.37 -17.08 CaMg(CO3)2
Epsomite -3.49 -5.23 -1.74 MgSO4:7H2O Epsomite -3.49 -5.23 -1.74 MgSO4:7H2O
Gypsum -1.23 -5.81 -4.58 CaSO4:2H2O Gypsum -1.23 -5.81 -4.58 CaSO4:2H2O
H2(g) -11.38 -14.48 -3.10 H2 H2(g) -36.00 -39.10 -3.10 H2
H2O(g) -1.51 -0.00 1.50 H2O H2O(g) -1.51 -0.00 1.50 H2O
H2S(g) -21.50 -29.44 -7.94 H2S H2S(g) -119.99 -127.92 -7.94 H2S
Halite -3.46 -1.89 1.57 NaCl Halite -3.46 -1.89 1.57 NaCl
Hexahydrite -3.66 -5.23 -1.57 MgSO4:6H2O Hexahydrite -3.66 -5.23 -1.57 MgSO4:6H2O
Kieserite -4.06 -5.22 -1.16 MgSO4:H2O Kieserite -4.06 -5.22 -1.16 MgSO4:H2O
Mirabilite -3.65 -4.89 -1.24 Na2SO4:10H2O Mirabilite -3.65 -4.89 -1.24 Na2SO4:10H2O
O2(g) -60.54 -63.43 -2.89 O2 O2(g) -11.29 -14.19 -2.89 O2
Quartz -0.65 -4.63 -3.98 SiO2 Quartz -0.65 -4.63 -3.98 SiO2
Sepiolite -4.52 11.24 15.76 Mg2Si3O7.5OH:3H2O Sepiolite -4.53 11.23 15.76 Mg2Si3O7.5OH:3H2O
Sepiolite(d) -7.42 11.24 18.66 Mg2Si3O7.5OH:3H2O Sepiolite(d) -7.43 11.23 18.66 Mg2Si3O7.5OH:3H2O
SiO2(a) -1.92 -4.63 -2.71 SiO2 SiO2(a) -1.92 -4.63 -2.71 SiO2
Sulfur -16.05 -11.17 4.88 S Sulfur -89.91 -85.03 4.88 S
Sylvite -4.47 -3.57 0.90 KCl Sylvite -4.47 -3.57 0.90 KCl
Talc -2.22 19.18 21.40 Mg3Si4O10(OH)2 Talc -2.22 19.18 21.40 Mg3Si4O10(OH)2
Thenardite -4.56 -4.86 -0.30 Na2SO4 Thenardite -4.56 -4.86 -0.30 Na2SO4

14
phreeqc3-examples/ex4.out
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@ -13,7 +13,7 @@ Reading data base.
EXCHANGE_SPECIES EXCHANGE_SPECIES
SURFACE_MASTER_SPECIES SURFACE_MASTER_SPECIES
SURFACE_SPECIES SURFACE_SPECIES
CALCULATE_VALUES MEAN_GAMMAS
RATES RATES
END END
------------------------------------ ------------------------------------
@ -102,7 +102,7 @@ Initial solution 1. Precipitation from Central Oklahoma
C(4) 1.091e-05 C(4) 1.091e-05
CO2 1.076e-05 1.076e-05 -4.968 -4.968 0.000 34.43 CO2 1.076e-05 1.076e-05 -4.968 -4.968 0.000 34.43
HCO3- 1.530e-07 1.513e-07 -6.815 -6.820 -0.005 24.56 HCO3- 1.530e-07 1.513e-07 -6.815 -6.820 -0.005 24.56
CaHCO3+ 1.787e-11 1.767e-11 -10.748 -10.753 -0.005 9.65 CaHCO3+ 5.402e-12 5.344e-12 -11.267 -11.272 -0.005 122.62
MgHCO3+ 3.022e-12 2.989e-12 -11.520 -11.524 -0.005 5.46 MgHCO3+ 3.022e-12 2.989e-12 -11.520 -11.524 -0.005 5.46
(CO2)2 2.125e-12 2.125e-12 -11.673 -11.673 0.000 68.87 (CO2)2 2.125e-12 2.125e-12 -11.673 -11.673 0.000 68.87
NaHCO3 7.995e-13 7.995e-13 -12.097 -12.097 0.000 31.73 NaHCO3 7.995e-13 7.995e-13 -12.097 -12.097 0.000 31.73
@ -113,7 +113,7 @@ C(4) 1.091e-05
Ca 9.581e-06 Ca 9.581e-06
Ca+2 9.560e-06 9.153e-06 -5.020 -5.038 -0.019 -18.22 Ca+2 9.560e-06 9.153e-06 -5.020 -5.038 -0.019 -18.22
CaSO4 2.098e-08 2.098e-08 -7.678 -7.678 0.000 7.50 CaSO4 2.098e-08 2.098e-08 -7.678 -7.678 0.000 7.50
CaHCO3+ 1.787e-11 1.767e-11 -10.748 -10.753 -0.005 9.65 CaHCO3+ 5.402e-12 5.344e-12 -11.267 -11.272 -0.005 122.62
CaHSO4+ 4.409e-12 4.361e-12 -11.356 -11.360 -0.005 (0) CaHSO4+ 4.409e-12 4.361e-12 -11.356 -11.360 -0.005 (0)
CaOH+ 4.856e-14 4.804e-14 -13.314 -13.318 -0.005 (0) CaOH+ 4.856e-14 4.804e-14 -13.314 -13.318 -0.005 (0)
CaCO3 3.451e-15 3.451e-15 -14.462 -14.462 0.000 -14.60 CaCO3 3.451e-15 3.451e-15 -14.462 -14.462 0.000 -14.60
@ -253,7 +253,7 @@ C(4) 2.182e-04
CO2 2.180e-04 2.181e-04 -3.661 -3.661 0.000 34.43 CO2 2.180e-04 2.181e-04 -3.661 -3.661 0.000 34.43
HCO3- 1.425e-07 1.365e-07 -6.846 -6.865 -0.019 24.59 HCO3- 1.425e-07 1.365e-07 -6.846 -6.865 -0.019 24.59
(CO2)2 8.728e-10 8.731e-10 -9.059 -9.059 0.000 68.87 (CO2)2 8.728e-10 8.731e-10 -9.059 -9.059 0.000 68.87
CaHCO3+ 2.842e-10 2.723e-10 -9.546 -9.565 -0.019 9.68 CaHCO3+ 8.591e-11 8.233e-11 -10.066 -10.084 -0.019 122.64
MgHCO3+ 4.754e-11 4.551e-11 -10.323 -10.342 -0.019 5.48 MgHCO3+ 4.754e-11 4.551e-11 -10.323 -10.342 -0.019 5.48
NaHCO3 1.390e-11 1.391e-11 -10.857 -10.857 0.000 31.73 NaHCO3 1.390e-11 1.391e-11 -10.857 -10.857 0.000 31.73
KHCO3 1.071e-12 1.071e-12 -11.970 -11.970 0.000 41.03 KHCO3 1.071e-12 1.071e-12 -11.970 -11.970 0.000 41.03
@ -264,7 +264,7 @@ Ca 1.916e-04
Ca+2 1.857e-04 1.564e-04 -3.731 -3.806 -0.075 -18.12 Ca+2 1.857e-04 1.564e-04 -3.731 -3.806 -0.075 -18.12
CaSO4 5.792e-06 5.795e-06 -5.237 -5.237 0.000 7.50 CaSO4 5.792e-06 5.795e-06 -5.237 -5.237 0.000 7.50
CaHSO4+ 2.828e-08 2.707e-08 -7.549 -7.568 -0.019 (0) CaHSO4+ 2.828e-08 2.707e-08 -7.549 -7.568 -0.019 (0)
CaHCO3+ 2.842e-10 2.723e-10 -9.546 -9.565 -0.019 9.68 CaHCO3+ 8.591e-11 8.233e-11 -10.066 -10.084 -0.019 122.64
CaOH+ 3.814e-14 3.651e-14 -13.419 -13.438 -0.019 (0) CaOH+ 3.814e-14 3.651e-14 -13.419 -13.438 -0.019 (0)
CaCO3 2.365e-15 2.366e-15 -14.626 -14.626 0.000 -14.60 CaCO3 2.365e-15 2.366e-15 -14.626 -14.626 0.000 -14.60
Cl 1.331e-04 Cl 1.331e-04
@ -424,7 +424,7 @@ C(4) 2.182e-04
CO2 2.180e-04 2.181e-04 -3.661 -3.661 0.000 34.43 CO2 2.180e-04 2.181e-04 -3.661 -3.661 0.000 34.43
HCO3- 1.425e-07 1.365e-07 -6.846 -6.865 -0.019 24.59 HCO3- 1.425e-07 1.365e-07 -6.846 -6.865 -0.019 24.59
(CO2)2 8.728e-10 8.731e-10 -9.059 -9.059 0.000 68.87 (CO2)2 8.728e-10 8.731e-10 -9.059 -9.059 0.000 68.87
CaHCO3+ 2.842e-10 2.723e-10 -9.546 -9.565 -0.019 9.68 CaHCO3+ 8.591e-11 8.233e-11 -10.066 -10.084 -0.019 122.64
MgHCO3+ 4.754e-11 4.551e-11 -10.323 -10.342 -0.019 5.48 MgHCO3+ 4.754e-11 4.551e-11 -10.323 -10.342 -0.019 5.48
NaHCO3 1.390e-11 1.391e-11 -10.857 -10.857 0.000 31.73 NaHCO3 1.390e-11 1.391e-11 -10.857 -10.857 0.000 31.73
KHCO3 1.071e-12 1.071e-12 -11.970 -11.970 0.000 41.03 KHCO3 1.071e-12 1.071e-12 -11.970 -11.970 0.000 41.03
@ -435,7 +435,7 @@ Ca 1.916e-04
Ca+2 1.857e-04 1.564e-04 -3.731 -3.806 -0.075 -18.12 Ca+2 1.857e-04 1.564e-04 -3.731 -3.806 -0.075 -18.12
CaSO4 5.792e-06 5.795e-06 -5.237 -5.237 0.000 7.50 CaSO4 5.792e-06 5.795e-06 -5.237 -5.237 0.000 7.50
CaHSO4+ 2.828e-08 2.707e-08 -7.549 -7.568 -0.019 (0) CaHSO4+ 2.828e-08 2.707e-08 -7.549 -7.568 -0.019 (0)
CaHCO3+ 2.842e-10 2.723e-10 -9.546 -9.565 -0.019 9.68 CaHCO3+ 8.591e-11 8.233e-11 -10.066 -10.084 -0.019 122.64
CaOH+ 3.814e-14 3.651e-14 -13.419 -13.438 -0.019 (0) CaOH+ 3.814e-14 3.651e-14 -13.419 -13.438 -0.019 (0)
CaCO3 2.365e-15 2.366e-15 -14.626 -14.626 0.000 -14.60 CaCO3 2.365e-15 2.366e-15 -14.626 -14.626 0.000 -14.60
Cl 1.331e-04 Cl 1.331e-04

876
phreeqc3-examples/ex5.out
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phreeqc3-examples/ex5.sel
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@ -1,8 +1,8 @@
sim state soln dist_x time step pH pe Cl pyrite d_pyrite goethite d_goethite calcite d_calcite CO2(g) d_CO2(g) gypsum d_gypsum si_Gypsum sim state soln dist_x time step pH pe Cl pyrite d_pyrite goethite d_goethite calcite d_calcite CO2(g) d_CO2(g) gypsum d_gypsum si_Gypsum
1 i_soln 1 -99 -99 -99 7 4 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 -999.9990 1 i_soln 1 -99 -99 -99 7 4 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 -999.9990
1 react 1 -99 0 1 8.27917 -4.94281 0.0000e+00 1.0000e+01 -3.1435e-08 1.0000e+01 1.0959e-08 9.9995e+00 -4.9333e-04 9.9995e+00 -4.8687e-04 0.0000e+00 0.0000e+00 -6.1255 1 react 1 -99 0 1 8.27866 -4.94223 0.0000e+00 1.0000e+01 -3.1401e-08 1.0000e+01 1.0888e-08 9.9995e+00 -4.9102e-04 9.9995e+00 -4.8459e-04 0.0000e+00 0.0000e+00 -6.1251
1 react 1 -99 0 2 8.1702 -4.28572 5.0000e-04 9.9997e+00 -2.6667e-04 1.0000e+01 2.6666e-04 9.9991e+00 -9.2681e-04 1.0000e+01 1.4260e-04 0.0000e+00 0.0000e+00 -2.0147 1 react 1 -99 0 2 8.16976 -4.28517 5.0000e-04 9.9997e+00 -2.6667e-04 1.0000e+01 2.6666e-04 9.9991e+00 -9.2415e-04 1.0000e+01 1.4524e-04 0.0000e+00 0.0000e+00 -2.0139
1 react 1 -99 0 3 7.97893 -3.96644 2.5000e-03 9.9987e+00 -1.3333e-03 1.0001e+01 1.3333e-03 9.9971e+00 -2.9356e-03 1.0002e+01 2.3967e-03 0.0000e+00 0.0000e+00 -1.0550 1 react 1 -99 0 3 7.97867 -3.96612 2.5000e-03 9.9987e+00 -1.3333e-03 1.0001e+01 1.3333e-03 9.9971e+00 -2.9318e-03 1.0002e+01 2.4006e-03 0.0000e+00 0.0000e+00 -1.0546
1 react 1 -99 0 4 7.87949 -3.8118 5.0001e-03 9.9973e+00 -2.6667e-03 1.0003e+01 2.6666e-03 9.9944e+00 -5.5572e-03 1.0005e+01 5.1073e-03 0.0000e+00 0.0000e+00 -0.6415 1 react 1 -99 0 4 7.8793 -3.81158 5.0001e-03 9.9973e+00 -2.6667e-03 1.0003e+01 2.6666e-03 9.9944e+00 -5.5524e-03 1.0005e+01 5.1122e-03 0.0000e+00 0.0000e+00 -0.6412
1 react 1 -99 0 5 7.72176 -3.57172 1.5001e-02 9.9920e+00 -8.0000e-03 1.0008e+01 7.9999e-03 9.9838e+00 -1.6173e-02 1.0016e+01 1.5824e-02 0.0000e+00 0.0000e+00 -0.0254 1 react 1 -99 0 5 7.72165 -3.57159 1.5001e-02 9.9920e+00 -8.0000e-03 1.0008e+01 7.9999e-03 9.9838e+00 -1.6165e-02 1.0016e+01 1.5831e-02 0.0000e+00 0.0000e+00 -0.0253
1 react 1 -99 0 6 7.70948 -3.55591 2.5011e-02 9.9867e+00 -1.3333e-02 1.0013e+01 1.3333e-02 9.9732e+00 -2.6838e-02 1.0026e+01 2.6492e-02 8.9714e-03 8.9714e-03 0.0000 1 react 1 -99 0 6 7.70941 -3.55585 2.5011e-02 9.9867e+00 -1.3333e-02 1.0013e+01 1.3333e-02 9.9732e+00 -2.6831e-02 1.0026e+01 2.6499e-02 8.9755e-03 8.9755e-03 0.0000

2
phreeqc3-examples/ex6.out
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@ -13,7 +13,7 @@ Reading data base.
EXCHANGE_SPECIES EXCHANGE_SPECIES
SURFACE_MASTER_SPECIES SURFACE_MASTER_SPECIES
SURFACE_SPECIES SURFACE_SPECIES
CALCULATE_VALUES MEAN_GAMMAS
RATES RATES
END END
------------------------------------ ------------------------------------

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phreeqc3-examples/ex7.out
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phreeqc3-examples/ex7.sel
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@ -1,28 +1,28 @@
sim state reaction si_CO2(g) si_CH4(g) si_N2(g) si_NH3(g) pressure total mol volume g_CO2(g) g_CH4(g) g_N2(g) g_NH3(g) sim state reaction si_CO2(g) si_CH4(g) si_N2(g) si_NH3(g) pressure total mol volume g_CO2(g) g_CH4(g) g_N2(g) g_NH3(g)
1 i_soln -99 -999.9990 -999.9990 -999.9990 -999.9990 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 1 i_soln -99 -999.9990 -999.9990 -999.9990 -999.9990 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00
1 react -99 -1.5001 -21.5524 -999.9990 -999.9990 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 1 react -99 -1.5001 -21.5512 -999.9990 -999.9990 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00
2 react 1.0000e-03 -1.3544 -0.4983 -3.9804 -8.3808 1.1000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 2 react 1.0000e-03 -1.3544 -0.4983 -3.9846 -8.3828 1.1000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00
2 react 2.0000e-03 -1.2454 -0.1973 -3.7279 -8.1825 1.1000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 2 react 2.0000e-03 -1.2454 -0.1973 -3.7319 -8.1845 1.1000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00
2 react 3.0000e-03 -1.1582 -0.0212 -3.6047 -8.0876 1.1000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 2 react 3.0000e-03 -1.1582 -0.0212 -3.6085 -8.0895 1.1000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00
2 react 4.0000e-03 -1.0914 -0.0069 -3.4389 -8.0244 1.1000e+00 5.0197e-04 1.1134e-02 3.7187e-05 4.5021e-04 1.6610e-07 0.0000e+00 2 react 4.0000e-03 -1.0914 -0.0069 -3.4425 -8.0262 1.1000e+00 5.0196e-04 1.1134e-02 3.7187e-05 4.5021e-04 1.6474e-07 0.0000e+00
2 react 8.0000e-03 -0.9098 -0.0262 -3.0143 -7.8874 1.1000e+00 2.9373e-03 6.5142e-02 3.3055e-04 2.5198e-03 2.5836e-06 0.0000e+00 2 react 8.0000e-03 -0.9098 -0.0262 -3.0171 -7.8889 1.1000e+00 2.9372e-03 6.5141e-02 3.3055e-04 2.5198e-03 2.5666e-06 0.0000e+00
2 react 1.6000e-02 -0.7177 -0.0600 -2.5772 -7.7536 1.1000e+00 8.3718e-03 1.8563e-01 1.4663e-03 6.6449e-03 2.0143e-05 0.0000e+00 2 react 1.6000e-02 -0.7177 -0.0600 -2.5789 -7.7545 1.1000e+00 8.3716e-03 1.8562e-01 1.4663e-03 6.6448e-03 2.0062e-05 0.0000e+00
2 react 3.2000e-02 -0.5499 -0.1104 -2.1263 -7.6101 1.1000e+00 2.1071e-02 4.6708e-01 5.4326e-03 1.4890e-02 1.4316e-04 0.0000e+00 2 react 3.2000e-02 -0.5499 -0.1104 -2.1267 -7.6103 1.1000e+00 2.1071e-02 4.6708e-01 5.4325e-03 1.4890e-02 1.4303e-04 0.0000e+00
2 react 6.4000e-02 -0.4348 -0.1673 -1.7739 -7.4984 1.1000e+00 5.0847e-02 1.1268e+00 1.7087e-02 3.1521e-02 7.7758e-04 0.0000e+00 2 react 6.4000e-02 -0.4348 -0.1673 -1.7737 -7.4983 1.1000e+00 5.0849e-02 1.1269e+00 1.7088e-02 3.1521e-02 7.7795e-04 0.0000e+00
2 react 1.2500e-01 -0.3738 -0.2103 -1.5956 -7.4482 1.1000e+00 1.1309e-01 2.5057e+00 4.3730e-02 6.3498e-02 2.6073e-03 0.0000e+00 2 react 1.2500e-01 -0.3738 -0.2103 -1.5954 -7.4481 1.1000e+00 1.1309e-01 2.5058e+00 4.3732e-02 6.3499e-02 2.6085e-03 0.0000e+00
2 react 2.5000e-01 -0.3427 -0.2370 -1.5130 -7.4286 1.1000e+00 2.4478e-01 5.4231e+00 1.0169e-01 1.2922e-01 6.8255e-03 0.0000e+00 2 react 2.5000e-01 -0.3427 -0.2370 -1.5129 -7.4285 1.1000e+00 2.4478e-01 5.4232e+00 1.0169e-01 1.2922e-01 6.8273e-03 0.0000e+00
2 react 5.0000e-01 -0.3277 -0.2513 -1.4759 -7.4210 1.1000e+00 5.1044e-01 1.1308e+01 2.1949e-01 2.6076e-01 1.5502e-02 0.0000e+00 2 react 5.0000e-01 -0.3277 -0.2513 -1.4759 -7.4210 1.1000e+00 5.1044e-01 1.1309e+01 2.1950e-01 2.6076e-01 1.5504e-02 0.0000e+00
2 react 1.0000e+00 -0.3204 -0.2586 -1.4585 -7.4178 1.1000e+00 1.0429e+00 2.3104e+01 4.5605e-01 5.2387e-01 3.2966e-02 0.0000e+00 2 react 1.0000e+00 -0.3204 -0.2586 -1.4585 -7.4178 1.1000e+00 1.0429e+00 2.3104e+01 4.5606e-01 5.2388e-01 3.2968e-02 0.0000e+00
3 i_gas -99 -1.5001 -21.5524 -999.9990 -999.9990 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 3 i_gas -99 -1.5001 -21.5512 -999.9990 -999.9990 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00
3 react 1.0000e-03 -1.4939 -3.2574 -4.4528 -9.5993 6.4110e-02 6.0800e-02 2.3190e+01 3.0424e-02 5.2421e-04 3.3422e-05 0.0000e+00 3 react 1.0000e-03 -1.4939 -3.2574 -4.4529 -9.5994 6.4111e-02 6.0800e-02 2.3190e+01 3.0424e-02 5.2421e-04 3.3415e-05 0.0000e+00
3 react 2.0000e-03 -1.4874 -2.9563 -4.1503 -9.3376 6.5179e-02 6.1814e-02 2.3190e+01 3.0880e-02 1.0486e-03 6.7072e-05 0.0000e+00 3 react 2.0000e-03 -1.4874 -2.9563 -4.1504 -9.3376 6.5180e-02 6.1814e-02 2.3190e+01 3.0880e-02 1.0486e-03 6.7058e-05 0.0000e+00
3 react 3.0000e-03 -1.4811 -2.7802 -3.9735 -9.1855 6.6249e-02 6.2828e-02 2.3190e+01 3.1336e-02 1.5730e-03 1.0078e-04 0.0000e+00 3 react 3.0000e-03 -1.4811 -2.7802 -3.9735 -9.1856 6.6249e-02 6.2828e-02 2.3190e+01 3.1336e-02 1.5730e-03 1.0076e-04 0.0000e+00
3 react 4.0000e-03 -1.4748 -2.6552 -3.8480 -9.0783 6.7318e-02 6.3843e-02 2.3190e+01 3.1792e-02 2.0975e-03 1.3452e-04 0.0000e+00 3 react 4.0000e-03 -1.4748 -2.6552 -3.8481 -9.0783 6.7318e-02 6.3843e-02 2.3190e+01 3.1792e-02 2.0975e-03 1.3450e-04 0.0000e+00
3 react 8.0000e-03 -1.4506 -2.3542 -3.5461 -8.8235 7.1596e-02 6.7900e-02 2.3190e+01 3.3615e-02 4.1954e-03 2.6960e-04 0.0000e+00 3 react 8.0000e-03 -1.4506 -2.3542 -3.5462 -8.8236 7.1596e-02 6.7900e-02 2.3190e+01 3.3615e-02 4.1953e-03 2.6955e-04 0.0000e+00
3 react 1.6000e-02 -1.4059 -2.0531 -3.2447 -8.5767 8.0152e-02 7.6015e-02 2.3190e+01 3.7262e-02 8.3911e-03 5.3973e-04 0.0000e+00 3 react 1.6000e-02 -1.4059 -2.0531 -3.2448 -8.5767 8.0152e-02 7.6015e-02 2.3190e+01 3.7262e-02 8.3911e-03 5.3964e-04 0.0000e+00
3 react 3.2000e-02 -1.3283 -1.7522 -2.9439 -8.3425 9.7259e-02 9.2242e-02 2.3190e+01 4.4554e-02 1.6782e-02 1.0788e-03 0.0000e+00 3 react 3.2000e-02 -1.3283 -1.7522 -2.9440 -8.3426 9.7258e-02 9.2242e-02 2.3190e+01 4.4554e-02 1.6782e-02 1.0786e-03 0.0000e+00
3 react 6.4000e-02 -1.2055 -1.4513 -2.6441 -8.1258 1.3145e-01 1.2468e-01 2.3190e+01 5.9133e-02 3.3559e-02 2.1518e-03 0.0000e+00 3 react 6.4000e-02 -1.2055 -1.4513 -2.6442 -8.1259 1.3145e-01 1.2468e-01 2.3190e+01 5.9133e-02 3.3559e-02 2.1514e-03 0.0000e+00
3 react 1.2500e-01 -1.0385 -1.1608 -2.3556 -7.9353 1.9656e-01 1.8648e-01 2.3190e+01 8.6909e-02 6.5530e-02 4.1820e-03 0.0000e+00 3 react 1.2500e-01 -1.0385 -1.1608 -2.3557 -7.9353 1.9656e-01 1.8647e-01 2.3190e+01 8.6908e-02 6.5529e-02 4.1813e-03 0.0000e+00
3 react 2.5000e-01 -0.8204 -0.8602 -2.0577 -7.7555 3.2979e-01 3.1300e-01 2.3190e+01 1.4379e-01 1.3102e-01 8.3071e-03 0.0000e+00 3 react 2.5000e-01 -0.8204 -0.8602 -2.0578 -7.7555 3.2978e-01 3.1300e-01 2.3190e+01 1.4379e-01 1.3102e-01 8.3061e-03 0.0000e+00
3 react 5.0000e-01 -0.5684 -0.5600 -1.7598 -7.5884 5.9573e-01 5.6594e-01 2.3190e+01 2.5750e-01 2.6196e-01 1.6510e-02 0.0000e+00 3 react 5.0000e-01 -0.5684 -0.5600 -1.7598 -7.5885 5.9573e-01 5.6594e-01 2.3190e+01 2.5750e-01 2.6196e-01 1.6510e-02 0.0000e+00
3 react 1.0000e+00 -0.2955 -0.2603 -1.4608 -7.4290 1.1262e+00 1.0719e+00 2.3190e+01 4.8499e-01 5.2384e-01 3.2919e-02 0.0000e+00 3 react 1.0000e+00 -0.2955 -0.2603 -1.4608 -7.4289 1.1262e+00 1.0719e+00 2.3190e+01 4.8499e-01 5.2384e-01 3.2922e-02 0.0000e+00

2
phreeqc3-examples/ex8.out
View File

@ -13,7 +13,7 @@ Reading data base.
EXCHANGE_SPECIES EXCHANGE_SPECIES
SURFACE_MASTER_SPECIES SURFACE_MASTER_SPECIES
SURFACE_SPECIES SURFACE_SPECIES
CALCULATE_VALUES MEAN_GAMMAS
RATES RATES
END END
------------------------------------ ------------------------------------

2
phreeqc3-examples/ex9.out
View File

@ -13,7 +13,7 @@ Reading data base.
EXCHANGE_SPECIES EXCHANGE_SPECIES
SURFACE_MASTER_SPECIES SURFACE_MASTER_SPECIES
SURFACE_SPECIES SURFACE_SPECIES
CALCULATE_VALUES MEAN_GAMMAS
RATES RATES
END END
------------------------------------ ------------------------------------