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David L Parkhurst 2012-01-11 16:15:18 +00:00
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@ -143,139 +143,139 @@ Initial solution 1. SEAWATER FROM NORDSTROM AND OTHERS (1979)
----------------------------Distribution of species---------------------------- ----------------------------Distribution of species----------------------------
Log Log Log Log Log Log mole V
Species Molality Activity Molality Activity Gamma Species Molality Activity Molality Activity Gamma cm3/mol
OH- 2.674e-06 1.629e-06 -5.573 -5.788 -0.215 OH- 2.674e-06 1.629e-06 -5.573 -5.788 -0.215 (0)
H+ 7.981e-09 6.026e-09 -8.098 -8.220 -0.122 H+ 7.981e-09 6.026e-09 -8.098 -8.220 -0.122 0.00
H2O 5.551e+01 9.806e-01 1.744 -0.009 0.000 H2O 5.551e+01 9.806e-01 1.744 -0.009 0.000 18.07
C(4) 2.180e-03 C(4) 2.180e-03
HCO3- 1.514e-03 1.023e-03 -2.820 -2.990 -0.170 HCO3- 1.514e-03 1.023e-03 -2.820 -2.990 -0.170 24.63
MgHCO3+ 2.195e-04 1.640e-04 -3.658 -3.785 -0.127 MgHCO3+ 2.195e-04 1.640e-04 -3.658 -3.785 -0.127 (0)
NaHCO3 1.667e-04 1.948e-04 -3.778 -3.710 0.067 NaHCO3 1.667e-04 1.948e-04 -3.778 -3.710 0.067 (0)
MgCO3 8.913e-05 1.041e-04 -4.050 -3.982 0.067 MgCO3 8.913e-05 1.041e-04 -4.050 -3.982 0.067 (0)
NaCO3- 6.718e-05 5.020e-05 -4.173 -4.299 -0.127 NaCO3- 6.718e-05 5.020e-05 -4.173 -4.299 -0.127 (0)
CaHCO3+ 4.597e-05 3.106e-05 -4.337 -4.508 -0.170 CaHCO3+ 4.597e-05 3.106e-05 -4.337 -4.508 -0.170 (0)
CO3-2 3.821e-05 7.959e-06 -4.418 -5.099 -0.681 CO3-2 3.821e-05 7.959e-06 -4.418 -5.099 -0.681 -2.43
CaCO3 2.725e-05 3.183e-05 -4.565 -4.497 0.067 CaCO3 2.725e-05 3.183e-05 -4.565 -4.497 0.067 (0)
CO2 1.210e-05 1.413e-05 -4.917 -4.850 0.067 CO2 1.210e-05 1.413e-05 -4.917 -4.850 0.067 (0)
UO2(CO3)3-4 1.255e-08 1.184e-10 -7.901 -9.927 -2.025 UO2(CO3)3-4 1.255e-08 1.184e-10 -7.901 -9.927 -2.025 (0)
UO2(CO3)2-2 1.814e-09 5.653e-10 -8.741 -9.248 -0.506 UO2(CO3)2-2 1.814e-09 5.653e-10 -8.741 -9.248 -0.506 (0)
MnCO3 2.696e-10 3.150e-10 -9.569 -9.502 0.067 MnCO3 2.696e-10 3.150e-10 -9.569 -9.502 0.067 (0)
MnHCO3+ 6.077e-11 4.541e-11 -10.216 -10.343 -0.127 MnHCO3+ 6.077e-11 4.541e-11 -10.216 -10.343 -0.127 (0)
UO2CO3 7.429e-12 8.678e-12 -11.129 -11.062 0.067 UO2CO3 7.429e-12 8.678e-12 -11.129 -11.062 0.067 (0)
FeCO3 1.878e-20 2.194e-20 -19.726 -19.659 0.067 FeCO3 1.878e-20 2.194e-20 -19.726 -19.659 0.067 (0)
FeHCO3+ 1.573e-20 1.175e-20 -19.803 -19.930 -0.127 FeHCO3+ 1.573e-20 1.175e-20 -19.803 -19.930 -0.127 (0)
Ca 1.066e-02 Ca 1.066e-02
Ca+2 9.504e-03 2.380e-03 -2.022 -2.623 -0.601 Ca+2 9.504e-03 2.380e-03 -2.022 -2.623 -0.601 -16.48
CaSO4 1.083e-03 1.266e-03 -2.965 -2.898 0.067 CaSO4 1.083e-03 1.266e-03 -2.965 -2.898 0.067 (0)
CaHCO3+ 4.597e-05 3.106e-05 -4.337 -4.508 -0.170 CaHCO3+ 4.597e-05 3.106e-05 -4.337 -4.508 -0.170 (0)
CaCO3 2.725e-05 3.183e-05 -4.565 -4.497 0.067 CaCO3 2.725e-05 3.183e-05 -4.565 -4.497 0.067 (0)
CaOH+ 8.604e-08 6.429e-08 -7.065 -7.192 -0.127 CaOH+ 8.604e-08 6.429e-08 -7.065 -7.192 -0.127 (0)
CaHSO4+ 5.979e-11 4.467e-11 -10.223 -10.350 -0.127 CaHSO4+ 5.979e-11 4.467e-11 -10.223 -10.350 -0.127 (0)
Cl 5.657e-01 Cl 5.657e-01
Cl- 5.657e-01 3.528e-01 -0.247 -0.452 -0.205 Cl- 5.657e-01 3.528e-01 -0.247 -0.452 -0.205 18.16
MnCl+ 9.582e-10 7.160e-10 -9.019 -9.145 -0.127 MnCl+ 9.582e-10 7.160e-10 -9.019 -9.145 -0.127 (0)
MnCl2 9.439e-11 1.103e-10 -10.025 -9.958 0.067 MnCl2 9.439e-11 1.103e-10 -10.025 -9.958 0.067 (0)
MnCl3- 1.434e-11 1.071e-11 -10.844 -10.970 -0.127 MnCl3- 1.434e-11 1.071e-11 -10.844 -10.970 -0.127 (0)
FeCl+2 9.557e-19 2.978e-19 -18.020 -18.526 -0.506 FeCl+2 9.557e-19 2.978e-19 -18.020 -18.526 -0.506 (0)
FeCl2+ 6.281e-19 4.693e-19 -18.202 -18.329 -0.127 FeCl2+ 6.281e-19 4.693e-19 -18.202 -18.329 -0.127 (0)
FeCl+ 7.488e-20 5.595e-20 -19.126 -19.252 -0.127 FeCl+ 7.488e-20 5.595e-20 -19.126 -19.252 -0.127 (0)
FeCl3 1.417e-20 1.656e-20 -19.849 -19.781 0.067 FeCl3 1.417e-20 1.656e-20 -19.849 -19.781 0.067 (0)
Fe(2) 6.645e-19 Fe(2) 6.645e-19
Fe+2 5.006e-19 1.149e-19 -18.301 -18.940 -0.639 Fe+2 5.006e-19 1.149e-19 -18.301 -18.940 -0.639 (0)
FeCl+ 7.488e-20 5.595e-20 -19.126 -19.252 -0.127 FeCl+ 7.488e-20 5.595e-20 -19.126 -19.252 -0.127 (0)
FeSO4 4.660e-20 5.444e-20 -19.332 -19.264 0.067 FeSO4 4.660e-20 5.444e-20 -19.332 -19.264 0.067 (0)
FeCO3 1.878e-20 2.194e-20 -19.726 -19.659 0.067 FeCO3 1.878e-20 2.194e-20 -19.726 -19.659 0.067 (0)
FeHCO3+ 1.573e-20 1.175e-20 -19.803 -19.930 -0.127 FeHCO3+ 1.573e-20 1.175e-20 -19.803 -19.930 -0.127 (0)
FeOH+ 7.913e-21 5.912e-21 -20.102 -20.228 -0.127 FeOH+ 7.913e-21 5.912e-21 -20.102 -20.228 -0.127 (0)
FeHSO4+ 2.886e-27 2.156e-27 -26.540 -26.666 -0.127 FeHSO4+ 2.886e-27 2.156e-27 -26.540 -26.666 -0.127 (0)
Fe(3) 3.711e-08 Fe(3) 3.711e-08
Fe(OH)3 2.841e-08 3.318e-08 -7.547 -7.479 0.067 Fe(OH)3 2.841e-08 3.318e-08 -7.547 -7.479 0.067 (0)
Fe(OH)4- 6.591e-09 4.924e-09 -8.181 -8.308 -0.127 Fe(OH)4- 6.591e-09 4.924e-09 -8.181 -8.308 -0.127 (0)
Fe(OH)2+ 2.118e-09 1.583e-09 -8.674 -8.801 -0.127 Fe(OH)2+ 2.118e-09 1.583e-09 -8.674 -8.801 -0.127 (0)
FeOH+2 9.425e-14 2.937e-14 -13.026 -13.532 -0.506 FeOH+2 9.425e-14 2.937e-14 -13.026 -13.532 -0.506 (0)
FeSO4+ 1.093e-18 8.167e-19 -17.961 -18.088 -0.127 FeSO4+ 1.093e-18 8.167e-19 -17.961 -18.088 -0.127 (0)
FeCl+2 9.557e-19 2.978e-19 -18.020 -18.526 -0.506 FeCl+2 9.557e-19 2.978e-19 -18.020 -18.526 -0.506 (0)
FeCl2+ 6.281e-19 4.693e-19 -18.202 -18.329 -0.127 FeCl2+ 6.281e-19 4.693e-19 -18.202 -18.329 -0.127 (0)
Fe+3 3.509e-19 2.796e-20 -18.455 -19.554 -1.099 Fe+3 3.509e-19 2.796e-20 -18.455 -19.554 -1.099 (0)
Fe(SO4)2- 6.372e-20 4.761e-20 -19.196 -19.322 -0.127 Fe(SO4)2- 6.372e-20 4.761e-20 -19.196 -19.322 -0.127 (0)
FeCl3 1.417e-20 1.656e-20 -19.849 -19.781 0.067 FeCl3 1.417e-20 1.656e-20 -19.849 -19.781 0.067 (0)
Fe2(OH)2+4 2.462e-24 2.322e-26 -23.609 -25.634 -2.025 Fe2(OH)2+4 2.462e-24 2.322e-26 -23.609 -25.634 -2.025 (0)
FeHSO4+2 4.228e-26 1.318e-26 -25.374 -25.880 -0.506 FeHSO4+2 4.228e-26 1.318e-26 -25.374 -25.880 -0.506 (0)
Fe3(OH)4+5 1.122e-29 7.679e-33 -28.950 -32.115 -3.165 Fe3(OH)4+5 1.122e-29 7.679e-33 -28.950 -32.115 -3.165 (0)
H(0) 0.000e+00 H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -44.470 -44.402 0.067 H2 0.000e+00 0.000e+00 -44.470 -44.402 0.067 (0)
K 1.058e-02 K 1.058e-02
K+ 1.042e-02 6.495e-03 -1.982 -2.187 -0.205 K+ 1.042e-02 6.495e-03 -1.982 -2.187 -0.205 9.37
KSO4- 1.627e-04 1.216e-04 -3.789 -3.915 -0.127 KSO4- 1.627e-04 1.216e-04 -3.789 -3.915 -0.127 (0)
KOH 3.137e-09 3.665e-09 -8.503 -8.436 0.067 KOH 3.137e-09 3.665e-09 -8.503 -8.436 0.067 (0)
Mg 5.507e-02 Mg 5.507e-02
Mg+2 4.742e-02 1.371e-02 -1.324 -1.863 -0.539 Mg+2 4.742e-02 1.371e-02 -1.324 -1.863 -0.539 -19.80
MgSO4 7.330e-03 8.562e-03 -2.135 -2.067 0.067 MgSO4 7.330e-03 8.562e-03 -2.135 -2.067 0.067 (0)
MgHCO3+ 2.195e-04 1.640e-04 -3.658 -3.785 -0.127 MgHCO3+ 2.195e-04 1.640e-04 -3.658 -3.785 -0.127 (0)
MgCO3 8.913e-05 1.041e-04 -4.050 -3.982 0.067 MgCO3 8.913e-05 1.041e-04 -4.050 -3.982 0.067 (0)
MgOH+ 1.084e-05 8.100e-06 -4.965 -5.092 -0.127 MgOH+ 1.084e-05 8.100e-06 -4.965 -5.092 -0.127 (0)
Mn(2) 3.773e-09 Mn(2) 3.773e-09
Mn+2 2.171e-09 4.982e-10 -8.663 -9.303 -0.639 Mn+2 2.171e-09 4.982e-10 -8.663 -9.303 -0.639 (0)
MnCl+ 9.582e-10 7.160e-10 -9.019 -9.145 -0.127 MnCl+ 9.582e-10 7.160e-10 -9.019 -9.145 -0.127 (0)
MnCO3 2.696e-10 3.150e-10 -9.569 -9.502 0.067 MnCO3 2.696e-10 3.150e-10 -9.569 -9.502 0.067 (0)
MnSO4 2.021e-10 2.360e-10 -9.695 -9.627 0.067 MnSO4 2.021e-10 2.360e-10 -9.695 -9.627 0.067 (0)
MnCl2 9.439e-11 1.103e-10 -10.025 -9.958 0.067 MnCl2 9.439e-11 1.103e-10 -10.025 -9.958 0.067 (0)
MnHCO3+ 6.077e-11 4.541e-11 -10.216 -10.343 -0.127 MnHCO3+ 6.077e-11 4.541e-11 -10.216 -10.343 -0.127 (0)
MnCl3- 1.434e-11 1.071e-11 -10.844 -10.970 -0.127 MnCl3- 1.434e-11 1.071e-11 -10.844 -10.970 -0.127 (0)
MnOH+ 2.789e-12 2.084e-12 -11.555 -11.681 -0.127 MnOH+ 2.789e-12 2.084e-12 -11.555 -11.681 -0.127 (0)
Mn(NO3)2 1.375e-20 1.607e-20 -19.862 -19.794 0.067 Mn(NO3)2 1.375e-20 1.607e-20 -19.862 -19.794 0.067 (0)
Mn(3) 5.993e-26 Mn(3) 5.993e-26
Mn+3 5.993e-26 4.349e-27 -25.222 -26.362 -1.139 Mn+3 5.993e-26 4.349e-27 -25.222 -26.362 -1.139 (0)
N(-3) 1.724e-06 N(-3) 1.724e-06
NH4+ 1.609e-06 9.049e-07 -5.794 -6.043 -0.250 NH4+ 1.609e-06 9.049e-07 -5.794 -6.043 -0.250 18.20
NH3 7.326e-08 8.558e-08 -7.135 -7.068 0.067 NH3 7.326e-08 8.558e-08 -7.135 -7.068 0.067 (0)
NH4SO4- 4.157e-08 3.106e-08 -7.381 -7.508 -0.127 NH4SO4- 4.157e-08 3.106e-08 -7.381 -7.508 -0.127 (0)
N(5) 4.847e-06 N(5) 4.847e-06
NO3- 4.847e-06 2.846e-06 -5.314 -5.546 -0.231 NO3- 4.847e-06 2.846e-06 -5.314 -5.546 -0.231 29.33
Mn(NO3)2 1.375e-20 1.607e-20 -19.862 -19.794 0.067 Mn(NO3)2 1.375e-20 1.607e-20 -19.862 -19.794 0.067 (0)
Na 4.854e-01 Na 4.854e-01
Na+ 4.791e-01 3.387e-01 -0.320 -0.470 -0.151 Na+ 4.791e-01 3.387e-01 -0.320 -0.470 -0.151 -0.87
NaSO4- 6.053e-03 4.523e-03 -2.218 -2.345 -0.127 NaSO4- 6.053e-03 4.523e-03 -2.218 -2.345 -0.127 (0)
NaHCO3 1.667e-04 1.948e-04 -3.778 -3.710 0.067 NaHCO3 1.667e-04 1.948e-04 -3.778 -3.710 0.067 (0)
NaCO3- 6.718e-05 5.020e-05 -4.173 -4.299 -0.127 NaCO3- 6.718e-05 5.020e-05 -4.173 -4.299 -0.127 (0)
NaOH 3.117e-07 3.641e-07 -6.506 -6.439 0.067 NaOH 3.117e-07 3.641e-07 -6.506 -6.439 0.067 (0)
O(0) 4.377e-04 O(0) 4.377e-04
O2 2.189e-04 2.556e-04 -3.660 -3.592 0.067 O2 2.189e-04 2.556e-04 -3.660 -3.592 0.067 (0)
S(6) 2.926e-02 S(6) 2.926e-02
SO4-2 1.463e-02 2.664e-03 -1.835 -2.574 -0.740 SO4-2 1.463e-02 2.664e-03 -1.835 -2.574 -0.740 15.33
MgSO4 7.330e-03 8.562e-03 -2.135 -2.067 0.067 MgSO4 7.330e-03 8.562e-03 -2.135 -2.067 0.067 (0)
NaSO4- 6.053e-03 4.523e-03 -2.218 -2.345 -0.127 NaSO4- 6.053e-03 4.523e-03 -2.218 -2.345 -0.127 (0)
CaSO4 1.083e-03 1.266e-03 -2.965 -2.898 0.067 CaSO4 1.083e-03 1.266e-03 -2.965 -2.898 0.067 (0)
KSO4- 1.627e-04 1.216e-04 -3.789 -3.915 -0.127 KSO4- 1.627e-04 1.216e-04 -3.789 -3.915 -0.127 (0)
NH4SO4- 4.157e-08 3.106e-08 -7.381 -7.508 -0.127 NH4SO4- 4.157e-08 3.106e-08 -7.381 -7.508 -0.127 (0)
HSO4- 2.089e-09 1.561e-09 -8.680 -8.807 -0.127 HSO4- 2.089e-09 1.561e-09 -8.680 -8.807 -0.127 (0)
MnSO4 2.021e-10 2.360e-10 -9.695 -9.627 0.067 MnSO4 2.021e-10 2.360e-10 -9.695 -9.627 0.067 (0)
CaHSO4+ 5.979e-11 4.467e-11 -10.223 -10.350 -0.127 CaHSO4+ 5.979e-11 4.467e-11 -10.223 -10.350 -0.127 (0)
FeSO4+ 1.093e-18 8.167e-19 -17.961 -18.088 -0.127 FeSO4+ 1.093e-18 8.167e-19 -17.961 -18.088 -0.127 (0)
Fe(SO4)2- 6.372e-20 4.761e-20 -19.196 -19.322 -0.127 Fe(SO4)2- 6.372e-20 4.761e-20 -19.196 -19.322 -0.127 (0)
FeSO4 4.660e-20 5.444e-20 -19.332 -19.264 0.067 FeSO4 4.660e-20 5.444e-20 -19.332 -19.264 0.067 (0)
FeHSO4+2 4.228e-26 1.318e-26 -25.374 -25.880 -0.506 FeHSO4+2 4.228e-26 1.318e-26 -25.374 -25.880 -0.506 (0)
FeHSO4+ 2.886e-27 2.156e-27 -26.540 -26.666 -0.127 FeHSO4+ 2.886e-27 2.156e-27 -26.540 -26.666 -0.127 (0)
Si 7.382e-05 Si 7.382e-05
H4SiO4 7.110e-05 8.306e-05 -4.148 -4.081 0.067 H4SiO4 7.110e-05 8.306e-05 -4.148 -4.081 0.067 56.00
H3SiO4- 2.720e-06 2.032e-06 -5.565 -5.692 -0.127 H3SiO4- 2.720e-06 2.032e-06 -5.565 -5.692 -0.127 (0)
H2SiO4-2 7.362e-11 2.294e-11 -10.133 -10.639 -0.506 H2SiO4-2 7.362e-11 2.294e-11 -10.133 -10.639 -0.506 (0)
U(4) 1.034e-21 U(4) 1.034e-21
U(OH)5- 1.034e-21 7.725e-22 -20.985 -21.112 -0.127 U(OH)5- 1.034e-21 7.725e-22 -20.985 -21.112 -0.127 (0)
U(OH)4 1.652e-25 1.930e-25 -24.782 -24.715 0.067 U(OH)4 1.652e-25 1.930e-25 -24.782 -24.715 0.067 (0)
U+4 0.000e+00 0.000e+00 -46.997 -49.022 -2.025 U+4 0.000e+00 0.000e+00 -46.997 -49.022 -2.025 (0)
U(5) 1.622e-18 U(5) 1.622e-18
UO2+ 1.622e-18 1.212e-18 -17.790 -17.916 -0.127 UO2+ 1.622e-18 1.212e-18 -17.790 -17.916 -0.127 (0)
U(6) 1.437e-08 U(6) 1.437e-08
UO2(CO3)3-4 1.255e-08 1.184e-10 -7.901 -9.927 -2.025 UO2(CO3)3-4 1.255e-08 1.184e-10 -7.901 -9.927 -2.025 (0)
UO2(CO3)2-2 1.814e-09 5.653e-10 -8.741 -9.248 -0.506 UO2(CO3)2-2 1.814e-09 5.653e-10 -8.741 -9.248 -0.506 (0)
UO2CO3 7.429e-12 8.678e-12 -11.129 -11.062 0.067 UO2CO3 7.429e-12 8.678e-12 -11.129 -11.062 0.067 (0)
UO2OH+ 3.385e-14 2.530e-14 -13.470 -13.597 -0.127 UO2OH+ 3.385e-14 2.530e-14 -13.470 -13.597 -0.127 (0)
UO2+2 3.019e-16 9.409e-17 -15.520 -16.026 -0.506 UO2+2 3.019e-16 9.409e-17 -15.520 -16.026 -0.506 (0)
(UO2)2(OH)2+2 1.780e-21 5.547e-22 -20.750 -21.256 -0.506 (UO2)2(OH)2+2 1.780e-21 5.547e-22 -20.750 -21.256 -0.506 (0)
(UO2)3(OH)5+ 2.908e-23 2.173e-23 -22.536 -22.663 -0.127 (UO2)3(OH)5+ 2.908e-23 2.173e-23 -22.536 -22.663 -0.127 (0)
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------

88
ex10.out
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@ -135,29 +135,29 @@ Initial solution 1.
----------------------------Distribution of species---------------------------- ----------------------------Distribution of species----------------------------
Log Log Log Log Log Log mole V
Species Molality Activity Molality Activity Gamma Species Molality Activity Molality Activity Gamma cm3/mol
OH- 1.039e-06 9.312e-07 -5.983 -6.031 -0.048 OH- 1.039e-06 9.312e-07 -5.983 -6.031 -0.048 (0)
H+ 1.181e-08 1.075e-08 -7.928 -7.969 -0.041 H+ 1.181e-08 1.075e-08 -7.928 -7.969 -0.041 0.00
H2O 5.551e+01 9.998e-01 1.744 -0.000 0.000 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 -75.157 -75.156 0.001 CH4 0.000e+00 0.000e+00 -75.157 -75.156 0.001 (0)
C(4) 7.864e-03 C(4) 7.864e-03
HCO3- 7.325e-03 6.602e-03 -2.135 -2.180 -0.045 HCO3- 7.325e-03 6.602e-03 -2.135 -2.180 -0.045 24.29
CaHCO3+ 2.216e-04 1.997e-04 -3.654 -3.700 -0.045 CaHCO3+ 2.216e-04 1.997e-04 -3.654 -3.700 -0.045 (0)
CO2 1.592e-04 1.596e-04 -3.798 -3.797 0.001 CO2 1.592e-04 1.596e-04 -3.798 -3.797 0.001 (0)
CaCO3 1.145e-04 1.147e-04 -3.941 -3.940 0.001 CaCO3 1.145e-04 1.147e-04 -3.941 -3.940 0.001 (0)
CO3-2 4.365e-05 2.881e-05 -4.360 -4.541 -0.181 CO3-2 4.365e-05 2.881e-05 -4.360 -4.541 -0.181 -3.78
Ca 3.932e-03 Ca 3.932e-03
Ca+2 3.596e-03 2.371e-03 -2.444 -2.625 -0.181 Ca+2 3.596e-03 2.371e-03 -2.444 -2.625 -0.181 -17.83
CaHCO3+ 2.216e-04 1.997e-04 -3.654 -3.700 -0.045 CaHCO3+ 2.216e-04 1.997e-04 -3.654 -3.700 -0.045 (0)
CaCO3 1.145e-04 1.147e-04 -3.941 -3.940 0.001 CaCO3 1.145e-04 1.147e-04 -3.941 -3.940 0.001 (0)
CaOH+ 4.077e-08 3.661e-08 -7.390 -7.436 -0.047 CaOH+ 4.077e-08 3.661e-08 -7.390 -7.436 -0.047 (0)
H(0) 1.632e-27 H(0) 1.632e-27
H2 8.158e-28 8.179e-28 -27.088 -27.087 0.001 H2 8.158e-28 8.179e-28 -27.088 -27.087 0.001 (0)
O(0) 1.243e-38 O(0) 1.243e-38
O2 6.213e-39 6.229e-39 -38.207 -38.206 0.001 O2 6.213e-39 6.229e-39 -38.207 -38.206 0.001 (0)
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
@ -216,29 +216,29 @@ CO2(g) -0.01 -1.48 -1.47 1.000e+01 9.961e+00 -3.944e-02
----------------------------Distribution of species---------------------------- ----------------------------Distribution of species----------------------------
Log Log Log Log Log Log mole V
Species Molality Activity Molality Activity Gamma Species Molality Activity Molality Activity Gamma cm3/mol
H+ 9.885e-07 8.654e-07 -6.005 -6.063 -0.058 H+ 9.885e-07 8.654e-07 -6.005 -6.063 -0.058 0.00
OH- 1.366e-08 1.155e-08 -7.865 -7.937 -0.073 OH- 1.366e-08 1.155e-08 -7.865 -7.937 -0.073 (0)
H2O 5.551e+01 9.989e-01 1.744 -0.000 0.000 H2O 5.551e+01 9.989e-01 1.744 -0.000 0.000 18.07
C(-4) 7.043e-22 C(-4) 7.043e-22
CH4 7.043e-22 7.091e-22 -21.152 -21.149 0.003 CH4 7.043e-22 7.091e-22 -21.152 -21.149 0.003 (0)
C(4) 5.392e-02 C(4) 5.392e-02
CO2 3.285e-02 3.307e-02 -1.483 -1.481 0.003 CO2 3.285e-02 3.307e-02 -1.483 -1.481 0.003 (0)
HCO3- 1.979e-02 1.698e-02 -1.703 -1.770 -0.067 HCO3- 1.979e-02 1.698e-02 -1.703 -1.770 -0.067 24.34
CaHCO3+ 1.266e-03 1.086e-03 -2.897 -2.964 -0.067 CaHCO3+ 1.266e-03 1.086e-03 -2.897 -2.964 -0.067 (0)
CaCO3 7.698e-06 7.750e-06 -5.114 -5.111 0.003 CaCO3 7.698e-06 7.750e-06 -5.114 -5.111 0.003 (0)
CO3-2 1.700e-06 9.199e-07 -5.770 -6.036 -0.267 CO3-2 1.700e-06 9.199e-07 -5.770 -6.036 -0.267 -3.58
Ca 1.054e-02 Ca 1.054e-02
Ca+2 9.265e-03 5.015e-03 -2.033 -2.300 -0.267 Ca+2 9.265e-03 5.015e-03 -2.033 -2.300 -0.267 -17.63
CaHCO3+ 1.266e-03 1.086e-03 -2.897 -2.964 -0.067 CaHCO3+ 1.266e-03 1.086e-03 -2.897 -2.964 -0.067 (0)
CaCO3 7.698e-06 7.750e-06 -5.114 -5.111 0.003 CaCO3 7.698e-06 7.750e-06 -5.114 -5.111 0.003 (0)
CaOH+ 1.128e-09 9.606e-10 -8.948 -9.017 -0.070 CaOH+ 1.128e-09 9.606e-10 -8.948 -9.017 -0.070 (0)
H(0) 1.359e-14 H(0) 1.359e-14
H2 6.794e-15 6.839e-15 -14.168 -14.165 0.003 H2 6.794e-15 6.839e-15 -14.168 -14.165 0.003 (0)
O(0) 0.000e+00 O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -64.054 -64.051 0.003 O2 0.000e+00 0.000e+00 -64.054 -64.051 0.003 (0)
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------

110
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@ -76,21 +76,21 @@ Initial solution 0. CaCl2
----------------------------Distribution of species---------------------------- ----------------------------Distribution of species----------------------------
Log Log Log Log Log Log mole V
Species Molality Activity Molality Activity Gamma Species Molality Activity Molality Activity Gamma cm3/mol
H+ 1.052e-07 1.006e-07 -6.978 -6.997 -0.019 H+ 1.052e-07 1.006e-07 -6.978 -6.997 -0.019 0.00
OH- 1.043e-07 9.948e-08 -6.982 -7.002 -0.021 OH- 1.043e-07 9.948e-08 -6.982 -7.002 -0.021 (0)
H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07
Ca 6.000e-04 Ca 6.000e-04
Ca+2 6.000e-04 4.985e-04 -3.222 -3.302 -0.081 Ca+2 6.000e-04 4.985e-04 -3.222 -3.302 -0.081 -17.83
CaOH+ 8.617e-10 8.221e-10 -9.065 -9.085 -0.020 CaOH+ 8.617e-10 8.221e-10 -9.065 -9.085 -0.020 (0)
Cl 1.200e-03 Cl 1.200e-03
Cl- 1.200e-03 1.144e-03 -2.921 -2.941 -0.021 Cl- 1.200e-03 1.144e-03 -2.921 -2.941 -0.021 17.82
H(0) 0.000e+00 H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -44.404 -44.404 0.000 H2 0.000e+00 0.000e+00 -44.404 -44.404 0.000 (0)
O(0) 5.352e-04 O(0) 5.352e-04
O2 2.676e-04 2.677e-04 -3.573 -3.572 0.000 O2 2.676e-04 2.677e-04 -3.573 -3.572 0.000 (0)
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
@ -132,24 +132,24 @@ Initial solution 1. Initial solution for column
----------------------------Distribution of species---------------------------- ----------------------------Distribution of species----------------------------
Log Log Log Log Log Log mole V
Species Molality Activity Molality Activity Gamma Species Molality Activity Molality Activity Gamma cm3/mol
H+ 1.040e-07 1.002e-07 -6.983 -6.999 -0.016 H+ 1.040e-07 1.002e-07 -6.983 -6.999 -0.016 0.00
OH- 1.039e-07 9.991e-08 -6.983 -7.000 -0.017 OH- 1.039e-07 9.991e-08 -6.983 -7.000 -0.017 (0)
H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07
H(0) 0.000e+00 H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -44.404 -44.404 0.000 H2 0.000e+00 0.000e+00 -44.404 -44.404 0.000 (0)
K 2.000e-04 K 2.000e-04
K+ 2.000e-04 1.923e-04 -3.699 -3.716 -0.017 K+ 2.000e-04 1.923e-04 -3.699 -3.716 -0.017 9.05
KOH 6.654e-12 6.656e-12 -11.177 -11.177 0.000 KOH 6.654e-12 6.656e-12 -11.177 -11.177 0.000 (0)
N(5) 1.200e-03 N(5) 1.200e-03
NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.01
Na 1.000e-03 Na 1.000e-03
Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.19
NaOH 6.342e-11 6.344e-11 -10.198 -10.198 0.000 NaOH 6.342e-11 6.344e-11 -10.198 -10.198 0.000 (0)
O(0) 5.352e-04 O(0) 5.352e-04
O2 2.676e-04 2.677e-04 -3.572 -3.572 0.000 O2 2.676e-04 2.677e-04 -3.572 -3.572 0.000 (0)
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
@ -450,31 +450,31 @@ X 1.100e-03 mol
----------------------------Distribution of species---------------------------- ----------------------------Distribution of species----------------------------
Log Log Log Log Log Log mole V
Species Molality Activity Molality Activity Gamma Species Molality Activity Molality Activity Gamma cm3/mol
H+ 1.040e-07 1.002e-07 -6.983 -6.999 -0.016 H+ 1.040e-07 1.002e-07 -6.983 -6.999 -0.016 0.00
OH- 1.039e-07 9.991e-08 -6.983 -7.000 -0.017 OH- 1.039e-07 9.991e-08 -6.983 -7.000 -0.017 (0)
H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07
H(0) 0.000e+00 H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -44.404 -44.404 0.000 H2 0.000e+00 0.000e+00 -44.404 -44.404 0.000 (0)
K 2.000e-04 K 2.000e-04
K+ 2.000e-04 1.923e-04 -3.699 -3.716 -0.017 K+ 2.000e-04 1.923e-04 -3.699 -3.716 -0.017 9.05
KOH 6.654e-12 6.656e-12 -11.177 -11.177 0.000 KOH 6.654e-12 6.656e-12 -11.177 -11.177 0.000 (0)
N(-3) 0.000e+00 N(-3) 0.000e+00
NH4+ 0.000e+00 0.000e+00 -62.857 -62.874 -0.017 NH4+ 0.000e+00 0.000e+00 -62.857 -62.874 -0.017 17.88
NH3 0.000e+00 0.000e+00 -65.120 -65.120 0.000 NH3 0.000e+00 0.000e+00 -65.120 -65.120 0.000 (0)
N(0) 1.729e-19 N(0) 1.729e-19
N2 8.645e-20 8.647e-20 -19.063 -19.063 0.000 N2 8.645e-20 8.647e-20 -19.063 -19.063 0.000 (0)
N(3) 2.485e-16 N(3) 2.485e-16
NO2- 2.485e-16 2.389e-16 -15.605 -15.622 -0.017 NO2- 2.485e-16 2.389e-16 -15.605 -15.622 -0.017 (0)
N(5) 1.200e-03 N(5) 1.200e-03
NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.01
Na 1.000e-03 Na 1.000e-03
Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.19
NaOH 6.342e-11 6.344e-11 -10.198 -10.198 0.000 NaOH 6.342e-11 6.344e-11 -10.198 -10.198 0.000 (0)
O(0) 5.352e-04 O(0) 5.352e-04
O2 2.676e-04 2.677e-04 -3.572 -3.572 0.000 O2 2.676e-04 2.677e-04 -3.572 -3.572 0.000 (0)
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------

102
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@ -71,23 +71,23 @@ Initial solution 0.
----------------------------Distribution of species---------------------------- ----------------------------Distribution of species----------------------------
Log Log Log Log Log Log mole V
Species Molality Activity Molality Activity Gamma Species Molality Activity Molality Activity Gamma cm3/mol
OH- 1.046e-07 1.001e-07 -6.981 -7.000 -0.019 OH- 1.046e-07 1.001e-07 -6.981 -7.000 -0.019 (0)
H+ 1.042e-07 1.000e-07 -6.982 -7.000 -0.018 H+ 1.042e-07 1.000e-07 -6.982 -7.000 -0.018 0.00
H2O 5.551e+01 9.999e-01 1.744 -0.000 0.000 H2O 5.551e+01 9.999e-01 1.744 -0.000 0.000 18.07
Cl 1.000e-03 Cl 1.000e-03
Cl- 1.000e-03 9.576e-04 -3.000 -3.019 -0.019 Cl- 1.000e-03 9.576e-04 -3.000 -3.019 -0.019 17.82
H(0) 0.000e+00 H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -44.394 -44.394 0.000 H2 0.000e+00 0.000e+00 -44.394 -44.394 0.000 (0)
N(5) 1.000e-03 N(5) 1.000e-03
NO3- 1.000e-03 9.573e-04 -3.000 -3.019 -0.019 NO3- 1.000e-03 9.573e-04 -3.000 -3.019 -0.019 28.99
Na 1.000e-03 Na 1.000e-03
Na+ 1.000e-03 9.580e-04 -3.000 -3.019 -0.019 Na+ 1.000e-03 9.580e-04 -3.000 -3.019 -0.019 -1.21
NaOH 6.327e-11 6.329e-11 -10.199 -10.199 0.000 NaOH 6.327e-11 6.329e-11 -10.199 -10.199 0.000 (0)
O(0) 5.111e-04 O(0) 5.111e-04
O2 2.556e-04 2.556e-04 -3.593 -3.592 0.000 O2 2.556e-04 2.556e-04 -3.593 -3.592 0.000 (0)
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
@ -155,21 +155,21 @@ Initial solution 1.
----------------------------Distribution of species---------------------------- ----------------------------Distribution of species----------------------------
Log Log Log Log Log Log mole V
Species Molality Activity Molality Activity Gamma Species Molality Activity Molality Activity Gamma cm3/mol
OH- 1.038e-07 1.001e-07 -6.984 -7.000 -0.016 OH- 1.038e-07 1.001e-07 -6.984 -7.000 -0.016 (0)
H+ 1.034e-07 1.000e-07 -6.985 -7.000 -0.015 H+ 1.034e-07 1.000e-07 -6.985 -7.000 -0.015 0.00
H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07
H(0) 0.000e+00 H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -44.394 -44.394 0.000 H2 0.000e+00 0.000e+00 -44.394 -44.394 0.000 (0)
K 1.000e-03 K 1.000e-03
K+ 1.000e-03 9.649e-04 -3.000 -3.016 -0.016 K+ 1.000e-03 9.649e-04 -3.000 -3.016 -0.016 9.05
KOH 3.345e-11 3.346e-11 -10.476 -10.476 0.000 KOH 3.345e-11 3.346e-11 -10.476 -10.476 0.000 (0)
N(5) 1.000e-03 N(5) 1.000e-03
NO3- 1.000e-03 9.647e-04 -3.000 -3.016 -0.016 NO3- 1.000e-03 9.647e-04 -3.000 -3.016 -0.016 29.01
O(0) 5.112e-04 O(0) 5.112e-04
O2 2.556e-04 2.556e-04 -3.592 -3.592 0.000 O2 2.556e-04 2.556e-04 -3.592 -3.592 0.000 (0)
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
@ -240,28 +240,28 @@ X 1.000e-03 mol
----------------------------Distribution of species---------------------------- ----------------------------Distribution of species----------------------------
Log Log Log Log Log Log mole V
Species Molality Activity Molality Activity Gamma Species Molality Activity Molality Activity Gamma cm3/mol
OH- 1.038e-07 1.001e-07 -6.984 -7.000 -0.016 OH- 1.038e-07 1.001e-07 -6.984 -7.000 -0.016 (0)
H+ 1.034e-07 1.000e-07 -6.985 -7.000 -0.015 H+ 1.034e-07 1.000e-07 -6.985 -7.000 -0.015 0.00
H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07
H(0) 0.000e+00 H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -44.394 -44.394 0.000 H2 0.000e+00 0.000e+00 -44.394 -44.394 0.000 (0)
K 1.000e-03 K 1.000e-03
K+ 1.000e-03 9.649e-04 -3.000 -3.016 -0.016 K+ 1.000e-03 9.649e-04 -3.000 -3.016 -0.016 9.04
KOH 3.345e-11 3.346e-11 -10.476 -10.476 0.000 KOH 3.345e-11 3.346e-11 -10.476 -10.476 0.000 (0)
N(-3) 0.000e+00 N(-3) 0.000e+00
NH4+ 0.000e+00 0.000e+00 -62.898 -62.914 -0.016 NH4+ 0.000e+00 0.000e+00 -62.898 -62.914 -0.016 17.87
NH3 0.000e+00 0.000e+00 -65.158 -65.158 0.000 NH3 0.000e+00 0.000e+00 -65.158 -65.158 0.000 (0)
N(0) 1.351e-19 N(0) 1.351e-19
N2 6.755e-20 6.756e-20 -19.170 -19.170 0.000 N2 6.755e-20 6.756e-20 -19.170 -19.170 0.000 (0)
N(3) 2.119e-16 N(3) 2.119e-16
NO2- 2.119e-16 2.044e-16 -15.674 -15.689 -0.016 NO2- 2.119e-16 2.044e-16 -15.674 -15.689 -0.016 (0)
N(5) 1.000e-03 N(5) 1.000e-03
NO3- 1.000e-03 9.647e-04 -3.000 -3.016 -0.016 NO3- 1.000e-03 9.647e-04 -3.000 -3.016 -0.016 29.00
O(0) 5.112e-04 O(0) 5.112e-04
O2 2.556e-04 2.556e-04 -3.592 -3.592 0.000 O2 2.556e-04 2.556e-04 -3.592 -3.592 0.000 (0)
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------

102
ex13ac.out
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@ -71,23 +71,23 @@ Initial solution 0.
----------------------------Distribution of species---------------------------- ----------------------------Distribution of species----------------------------
Log Log Log Log Log Log mole V
Species Molality Activity Molality Activity Gamma Species Molality Activity Molality Activity Gamma cm3/mol
OH- 1.046e-07 1.001e-07 -6.981 -7.000 -0.019 OH- 1.046e-07 1.001e-07 -6.981 -7.000 -0.019 (0)
H+ 1.042e-07 1.000e-07 -6.982 -7.000 -0.018 H+ 1.042e-07 1.000e-07 -6.982 -7.000 -0.018 0.00
H2O 5.551e+01 9.999e-01 1.744 -0.000 0.000 H2O 5.551e+01 9.999e-01 1.744 -0.000 0.000 18.07
Cl 1.000e-03 Cl 1.000e-03
Cl- 1.000e-03 9.576e-04 -3.000 -3.019 -0.019 Cl- 1.000e-03 9.576e-04 -3.000 -3.019 -0.019 17.82
H(0) 0.000e+00 H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -44.394 -44.394 0.000 H2 0.000e+00 0.000e+00 -44.394 -44.394 0.000 (0)
N(5) 1.000e-03 N(5) 1.000e-03
NO3- 1.000e-03 9.573e-04 -3.000 -3.019 -0.019 NO3- 1.000e-03 9.573e-04 -3.000 -3.019 -0.019 28.99
Na 1.000e-03 Na 1.000e-03
Na+ 1.000e-03 9.580e-04 -3.000 -3.019 -0.019 Na+ 1.000e-03 9.580e-04 -3.000 -3.019 -0.019 -1.21
NaOH 6.327e-11 6.329e-11 -10.199 -10.199 0.000 NaOH 6.327e-11 6.329e-11 -10.199 -10.199 0.000 (0)
O(0) 5.111e-04 O(0) 5.111e-04
O2 2.556e-04 2.556e-04 -3.593 -3.592 0.000 O2 2.556e-04 2.556e-04 -3.593 -3.592 0.000 (0)
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
@ -155,21 +155,21 @@ Initial solution 1.
----------------------------Distribution of species---------------------------- ----------------------------Distribution of species----------------------------
Log Log Log Log Log Log mole V
Species Molality Activity Molality Activity Gamma Species Molality Activity Molality Activity Gamma cm3/mol
OH- 1.038e-07 1.001e-07 -6.984 -7.000 -0.016 OH- 1.038e-07 1.001e-07 -6.984 -7.000 -0.016 (0)
H+ 1.034e-07 1.000e-07 -6.985 -7.000 -0.015 H+ 1.034e-07 1.000e-07 -6.985 -7.000 -0.015 0.00
H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07
H(0) 0.000e+00 H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -44.394 -44.394 0.000 H2 0.000e+00 0.000e+00 -44.394 -44.394 0.000 (0)
K 1.000e-03 K 1.000e-03
K+ 1.000e-03 9.649e-04 -3.000 -3.016 -0.016 K+ 1.000e-03 9.649e-04 -3.000 -3.016 -0.016 9.05
KOH 3.345e-11 3.346e-11 -10.476 -10.476 0.000 KOH 3.345e-11 3.346e-11 -10.476 -10.476 0.000 (0)
N(5) 1.000e-03 N(5) 1.000e-03
NO3- 1.000e-03 9.647e-04 -3.000 -3.016 -0.016 NO3- 1.000e-03 9.647e-04 -3.000 -3.016 -0.016 29.01
O(0) 5.112e-04 O(0) 5.112e-04
O2 2.556e-04 2.556e-04 -3.592 -3.592 0.000 O2 2.556e-04 2.556e-04 -3.592 -3.592 0.000 (0)
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
@ -240,28 +240,28 @@ X 1.000e-03 mol
----------------------------Distribution of species---------------------------- ----------------------------Distribution of species----------------------------
Log Log Log Log Log Log mole V
Species Molality Activity Molality Activity Gamma Species Molality Activity Molality Activity Gamma cm3/mol
OH- 1.038e-07 1.001e-07 -6.984 -7.000 -0.016 OH- 1.038e-07 1.001e-07 -6.984 -7.000 -0.016 (0)
H+ 1.034e-07 1.000e-07 -6.985 -7.000 -0.015 H+ 1.034e-07 1.000e-07 -6.985 -7.000 -0.015 0.00
H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07
H(0) 0.000e+00 H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -44.394 -44.394 0.000 H2 0.000e+00 0.000e+00 -44.394 -44.394 0.000 (0)
K 1.000e-03 K 1.000e-03
K+ 1.000e-03 9.649e-04 -3.000 -3.016 -0.016 K+ 1.000e-03 9.649e-04 -3.000 -3.016 -0.016 9.04
KOH 3.345e-11 3.346e-11 -10.476 -10.476 0.000 KOH 3.345e-11 3.346e-11 -10.476 -10.476 0.000 (0)
N(-3) 0.000e+00 N(-3) 0.000e+00
NH4+ 0.000e+00 0.000e+00 -62.898 -62.914 -0.016 NH4+ 0.000e+00 0.000e+00 -62.898 -62.914 -0.016 17.87
NH3 0.000e+00 0.000e+00 -65.158 -65.158 0.000 NH3 0.000e+00 0.000e+00 -65.158 -65.158 0.000 (0)
N(0) 1.351e-19 N(0) 1.351e-19
N2 6.755e-20 6.756e-20 -19.170 -19.170 0.000 N2 6.755e-20 6.756e-20 -19.170 -19.170 0.000 (0)
N(3) 2.119e-16 N(3) 2.119e-16
NO2- 2.119e-16 2.044e-16 -15.674 -15.689 -0.016 NO2- 2.119e-16 2.044e-16 -15.674 -15.689 -0.016 (0)
N(5) 1.000e-03 N(5) 1.000e-03
NO3- 1.000e-03 9.647e-04 -3.000 -3.016 -0.016 NO3- 1.000e-03 9.647e-04 -3.000 -3.016 -0.016 29.00
O(0) 5.112e-04 O(0) 5.112e-04
O2 2.556e-04 2.556e-04 -3.592 -3.592 0.000 O2 2.556e-04 2.556e-04 -3.592 -3.592 0.000 (0)
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------

102
ex13b.out
View File

@ -71,23 +71,23 @@ Initial solution 0.
----------------------------Distribution of species---------------------------- ----------------------------Distribution of species----------------------------
Log Log Log Log Log Log mole V
Species Molality Activity Molality Activity Gamma Species Molality Activity Molality Activity Gamma cm3/mol
OH- 1.046e-07 1.001e-07 -6.981 -7.000 -0.019 OH- 1.046e-07 1.001e-07 -6.981 -7.000 -0.019 (0)
H+ 1.042e-07 1.000e-07 -6.982 -7.000 -0.018 H+ 1.042e-07 1.000e-07 -6.982 -7.000 -0.018 0.00
H2O 5.551e+01 9.999e-01 1.744 -0.000 0.000 H2O 5.551e+01 9.999e-01 1.744 -0.000 0.000 18.07
Cl 1.000e-03 Cl 1.000e-03
Cl- 1.000e-03 9.576e-04 -3.000 -3.019 -0.019 Cl- 1.000e-03 9.576e-04 -3.000 -3.019 -0.019 17.82
H(0) 0.000e+00 H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -44.394 -44.394 0.000 H2 0.000e+00 0.000e+00 -44.394 -44.394 0.000 (0)
N(5) 1.000e-03 N(5) 1.000e-03
NO3- 1.000e-03 9.573e-04 -3.000 -3.019 -0.019 NO3- 1.000e-03 9.573e-04 -3.000 -3.019 -0.019 28.99
Na 1.000e-03 Na 1.000e-03
Na+ 1.000e-03 9.580e-04 -3.000 -3.019 -0.019 Na+ 1.000e-03 9.580e-04 -3.000 -3.019 -0.019 -1.21
NaOH 6.327e-11 6.329e-11 -10.199 -10.199 0.000 NaOH 6.327e-11 6.329e-11 -10.199 -10.199 0.000 (0)
O(0) 5.111e-04 O(0) 5.111e-04
O2 2.556e-04 2.556e-04 -3.593 -3.592 0.000 O2 2.556e-04 2.556e-04 -3.593 -3.592 0.000 (0)
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
@ -155,21 +155,21 @@ Initial solution 1.
----------------------------Distribution of species---------------------------- ----------------------------Distribution of species----------------------------
Log Log Log Log Log Log mole V
Species Molality Activity Molality Activity Gamma Species Molality Activity Molality Activity Gamma cm3/mol
OH- 1.038e-07 1.001e-07 -6.984 -7.000 -0.016 OH- 1.038e-07 1.001e-07 -6.984 -7.000 -0.016 (0)
H+ 1.034e-07 1.000e-07 -6.985 -7.000 -0.015 H+ 1.034e-07 1.000e-07 -6.985 -7.000 -0.015 0.00
H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07
H(0) 0.000e+00 H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -44.394 -44.394 0.000 H2 0.000e+00 0.000e+00 -44.394 -44.394 0.000 (0)
K 1.000e-03 K 1.000e-03
K+ 1.000e-03 9.649e-04 -3.000 -3.016 -0.016 K+ 1.000e-03 9.649e-04 -3.000 -3.016 -0.016 9.05
KOH 3.345e-11 3.346e-11 -10.476 -10.476 0.000 KOH 3.345e-11 3.346e-11 -10.476 -10.476 0.000 (0)
N(5) 1.000e-03 N(5) 1.000e-03
NO3- 1.000e-03 9.647e-04 -3.000 -3.016 -0.016 NO3- 1.000e-03 9.647e-04 -3.000 -3.016 -0.016 29.01
O(0) 5.112e-04 O(0) 5.112e-04
O2 2.556e-04 2.556e-04 -3.592 -3.592 0.000 O2 2.556e-04 2.556e-04 -3.592 -3.592 0.000 (0)
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
@ -240,28 +240,28 @@ X 1.000e-03 mol
----------------------------Distribution of species---------------------------- ----------------------------Distribution of species----------------------------
Log Log Log Log Log Log mole V
Species Molality Activity Molality Activity Gamma Species Molality Activity Molality Activity Gamma cm3/mol
OH- 1.038e-07 1.001e-07 -6.984 -7.000 -0.016 OH- 1.038e-07 1.001e-07 -6.984 -7.000 -0.016 (0)
H+ 1.034e-07 1.000e-07 -6.985 -7.000 -0.015 H+ 1.034e-07 1.000e-07 -6.985 -7.000 -0.015 0.00
H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07
H(0) 0.000e+00 H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -44.394 -44.394 0.000 H2 0.000e+00 0.000e+00 -44.394 -44.394 0.000 (0)
K 1.000e-03 K 1.000e-03
K+ 1.000e-03 9.649e-04 -3.000 -3.016 -0.016 K+ 1.000e-03 9.649e-04 -3.000 -3.016 -0.016 9.04
KOH 3.345e-11 3.346e-11 -10.476 -10.476 0.000 KOH 3.345e-11 3.346e-11 -10.476 -10.476 0.000 (0)
N(-3) 0.000e+00 N(-3) 0.000e+00
NH4+ 0.000e+00 0.000e+00 -62.898 -62.914 -0.016 NH4+ 0.000e+00 0.000e+00 -62.898 -62.914 -0.016 17.87
NH3 0.000e+00 0.000e+00 -65.158 -65.158 0.000 NH3 0.000e+00 0.000e+00 -65.158 -65.158 0.000 (0)
N(0) 1.351e-19 N(0) 1.351e-19
N2 6.755e-20 6.756e-20 -19.170 -19.170 0.000 N2 6.755e-20 6.756e-20 -19.170 -19.170 0.000 (0)
N(3) 2.119e-16 N(3) 2.119e-16
NO2- 2.119e-16 2.044e-16 -15.674 -15.689 -0.016 NO2- 2.119e-16 2.044e-16 -15.674 -15.689 -0.016 (0)
N(5) 1.000e-03 N(5) 1.000e-03
NO3- 1.000e-03 9.647e-04 -3.000 -3.016 -0.016 NO3- 1.000e-03 9.647e-04 -3.000 -3.016 -0.016 29.00
O(0) 5.112e-04 O(0) 5.112e-04
O2 2.556e-04 2.556e-04 -3.592 -3.592 0.000 O2 2.556e-04 2.556e-04 -3.592 -3.592 0.000 (0)
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------

102
ex13c.out
View File

@ -71,23 +71,23 @@ Initial solution 0.
----------------------------Distribution of species---------------------------- ----------------------------Distribution of species----------------------------
Log Log Log Log Log Log mole V
Species Molality Activity Molality Activity Gamma Species Molality Activity Molality Activity Gamma cm3/mol
OH- 1.046e-07 1.001e-07 -6.981 -7.000 -0.019 OH- 1.046e-07 1.001e-07 -6.981 -7.000 -0.019 (0)
H+ 1.042e-07 1.000e-07 -6.982 -7.000 -0.018 H+ 1.042e-07 1.000e-07 -6.982 -7.000 -0.018 0.00
H2O 5.551e+01 9.999e-01 1.744 -0.000 0.000 H2O 5.551e+01 9.999e-01 1.744 -0.000 0.000 18.07
Cl 1.000e-03 Cl 1.000e-03
Cl- 1.000e-03 9.576e-04 -3.000 -3.019 -0.019 Cl- 1.000e-03 9.576e-04 -3.000 -3.019 -0.019 17.82
H(0) 0.000e+00 H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -44.394 -44.394 0.000 H2 0.000e+00 0.000e+00 -44.394 -44.394 0.000 (0)
N(5) 1.000e-03 N(5) 1.000e-03
NO3- 1.000e-03 9.573e-04 -3.000 -3.019 -0.019 NO3- 1.000e-03 9.573e-04 -3.000 -3.019 -0.019 28.99
Na 1.000e-03 Na 1.000e-03
Na+ 1.000e-03 9.580e-04 -3.000 -3.019 -0.019 Na+ 1.000e-03 9.580e-04 -3.000 -3.019 -0.019 -1.21
NaOH 6.327e-11 6.329e-11 -10.199 -10.199 0.000 NaOH 6.327e-11 6.329e-11 -10.199 -10.199 0.000 (0)
O(0) 5.111e-04 O(0) 5.111e-04
O2 2.556e-04 2.556e-04 -3.593 -3.592 0.000 O2 2.556e-04 2.556e-04 -3.593 -3.592 0.000 (0)
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
@ -155,21 +155,21 @@ Initial solution 1.
----------------------------Distribution of species---------------------------- ----------------------------Distribution of species----------------------------
Log Log Log Log Log Log mole V
Species Molality Activity Molality Activity Gamma Species Molality Activity Molality Activity Gamma cm3/mol
OH- 1.038e-07 1.001e-07 -6.984 -7.000 -0.016 OH- 1.038e-07 1.001e-07 -6.984 -7.000 -0.016 (0)
H+ 1.034e-07 1.000e-07 -6.985 -7.000 -0.015 H+ 1.034e-07 1.000e-07 -6.985 -7.000 -0.015 0.00
H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07
H(0) 0.000e+00 H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -44.394 -44.394 0.000 H2 0.000e+00 0.000e+00 -44.394 -44.394 0.000 (0)
K 1.000e-03 K 1.000e-03
K+ 1.000e-03 9.649e-04 -3.000 -3.016 -0.016 K+ 1.000e-03 9.649e-04 -3.000 -3.016 -0.016 9.05
KOH 3.345e-11 3.346e-11 -10.476 -10.476 0.000 KOH 3.345e-11 3.346e-11 -10.476 -10.476 0.000 (0)
N(5) 1.000e-03 N(5) 1.000e-03
NO3- 1.000e-03 9.647e-04 -3.000 -3.016 -0.016 NO3- 1.000e-03 9.647e-04 -3.000 -3.016 -0.016 29.01
O(0) 5.112e-04 O(0) 5.112e-04
O2 2.556e-04 2.556e-04 -3.592 -3.592 0.000 O2 2.556e-04 2.556e-04 -3.592 -3.592 0.000 (0)
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
@ -240,28 +240,28 @@ X 1.000e-03 mol
----------------------------Distribution of species---------------------------- ----------------------------Distribution of species----------------------------
Log Log Log Log Log Log mole V
Species Molality Activity Molality Activity Gamma Species Molality Activity Molality Activity Gamma cm3/mol
OH- 1.038e-07 1.001e-07 -6.984 -7.000 -0.016 OH- 1.038e-07 1.001e-07 -6.984 -7.000 -0.016 (0)
H+ 1.034e-07 1.000e-07 -6.985 -7.000 -0.015 H+ 1.034e-07 1.000e-07 -6.985 -7.000 -0.015 0.00
H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07
H(0) 0.000e+00 H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -44.394 -44.394 0.000 H2 0.000e+00 0.000e+00 -44.394 -44.394 0.000 (0)
K 1.000e-03 K 1.000e-03
K+ 1.000e-03 9.649e-04 -3.000 -3.016 -0.016 K+ 1.000e-03 9.649e-04 -3.000 -3.016 -0.016 9.04
KOH 3.345e-11 3.346e-11 -10.476 -10.476 0.000 KOH 3.345e-11 3.346e-11 -10.476 -10.476 0.000 (0)
N(-3) 0.000e+00 N(-3) 0.000e+00
NH4+ 0.000e+00 0.000e+00 -62.898 -62.914 -0.016 NH4+ 0.000e+00 0.000e+00 -62.898 -62.914 -0.016 17.87
NH3 0.000e+00 0.000e+00 -65.158 -65.158 0.000 NH3 0.000e+00 0.000e+00 -65.158 -65.158 0.000 (0)
N(0) 1.351e-19 N(0) 1.351e-19
N2 6.755e-20 6.756e-20 -19.170 -19.170 0.000 N2 6.755e-20 6.756e-20 -19.170 -19.170 0.000 (0)
N(3) 2.119e-16 N(3) 2.119e-16
NO2- 2.119e-16 2.044e-16 -15.674 -15.689 -0.016 NO2- 2.119e-16 2.044e-16 -15.674 -15.689 -0.016 (0)
N(5) 1.000e-03 N(5) 1.000e-03
NO3- 1.000e-03 9.647e-04 -3.000 -3.016 -0.016 NO3- 1.000e-03 9.647e-04 -3.000 -3.016 -0.016 29.00
O(0) 5.112e-04 O(0) 5.112e-04
O2 2.556e-04 2.556e-04 -3.592 -3.592 0.000 O2 2.556e-04 2.556e-04 -3.592 -3.592 0.000 (0)
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------

660
ex14.out
View File

@ -102,79 +102,79 @@ Initial solution 1. Brine
----------------------------Distribution of species---------------------------- ----------------------------Distribution of species----------------------------
Log Log Log Log Log Log mole V
Species Molality Activity Molality Activity Gamma Species Molality Activity Molality Activity Gamma cm3/mol
H+ 2.755e-06 1.936e-06 -5.560 -5.713 -0.153 H+ 2.755e-06 1.936e-06 -5.560 -5.713 -0.153 0.00
OH- 7.396e-10 4.056e-09 -9.131 -8.392 0.739 OH- 7.396e-10 4.056e-09 -9.131 -8.392 0.739 (0)
H2O 5.551e+01 7.846e-01 1.744 -0.105 0.000 H2O 5.551e+01 7.846e-01 1.744 -0.105 0.000 18.07
As(3) 1.105e-33 As(3) 1.105e-33
H3AsO3 1.104e-33 5.888e-33 -32.957 -32.230 0.727 H3AsO3 1.104e-33 5.888e-33 -32.957 -32.230 0.727 (0)
H2AsO3- 3.925e-37 2.152e-36 -36.406 -35.667 0.739 H2AsO3- 3.925e-37 2.152e-36 -36.406 -35.667 0.739 (0)
H4AsO3+ 1.030e-39 5.649e-39 -38.987 -38.248 0.739 H4AsO3+ 1.030e-39 5.649e-39 -38.987 -38.248 0.739 (0)
HAsO3-2 0.000e+00 0.000e+00 -47.611 -44.654 2.956 HAsO3-2 0.000e+00 0.000e+00 -47.611 -44.654 2.956 (0)
AsO3-3 0.000e+00 0.000e+00 -61.293 -54.641 6.652 AsO3-3 0.000e+00 0.000e+00 -61.293 -54.641 6.652 (0)
AsS(OH)(HS)- 0.000e+00 0.000e+00 -302.845 -302.106 0.739 AsS(OH)(HS)- 0.000e+00 0.000e+00 -302.845 -302.106 0.739 (0)
As3S4(HS)2- 0.000e+00 0.000e+00 -899.967 -899.227 0.739 As3S4(HS)2- 0.000e+00 0.000e+00 -899.967 -899.227 0.739 (0)
As(5) 2.500e-08 As(5) 2.500e-08
H2AsO4- 2.498e-08 1.370e-07 -7.602 -6.863 0.739 H2AsO4- 2.498e-08 1.370e-07 -7.602 -6.863 0.739 (0)
H3AsO4 8.647e-12 4.611e-11 -11.063 -10.336 0.727 H3AsO4 8.647e-12 4.611e-11 -11.063 -10.336 0.727 (0)
HAsO4-2 8.576e-12 7.758e-09 -11.067 -8.110 2.956 HAsO4-2 8.576e-12 7.758e-09 -11.067 -8.110 2.956 (0)
AsO4-3 2.823e-21 1.267e-14 -20.549 -13.897 6.652 AsO4-3 2.823e-21 1.267e-14 -20.549 -13.897 6.652 (0)
C(-4) 0.000e+00 C(-4) 0.000e+00
CH4 0.000e+00 0.000e+00 -143.997 -143.270 0.727 CH4 0.000e+00 0.000e+00 -143.997 -143.270 0.727 (0)
C(4) 3.960e-03 C(4) 3.960e-03
HCO3- 1.045e-03 6.049e-04 -2.981 -3.218 -0.238 HCO3- 1.045e-03 6.049e-04 -2.981 -3.218 -0.238 (0)
CaHCO3+ 1.002e-03 5.494e-03 -2.999 -2.260 0.739 CaHCO3+ 1.002e-03 5.494e-03 -2.999 -2.260 0.739 (0)
MgHCO3+ 6.754e-04 3.704e-03 -3.170 -2.431 0.739 MgHCO3+ 6.754e-04 3.704e-03 -3.170 -2.431 0.739 (0)
CO2 6.296e-04 3.357e-03 -3.201 -2.474 0.727 CO2 6.296e-04 3.357e-03 -3.201 -2.474 0.727 (0)
NaHCO3 6.026e-04 3.213e-03 -3.220 -2.493 0.727 NaHCO3 6.026e-04 3.213e-03 -3.220 -2.493 0.727 (0)
CaCO3 3.278e-06 1.748e-05 -5.484 -4.758 0.727 CaCO3 3.278e-06 1.748e-05 -5.484 -4.758 0.727 (0)
MgCO3 1.372e-06 7.316e-06 -5.863 -5.136 0.727 MgCO3 1.372e-06 7.316e-06 -5.863 -5.136 0.727 (0)
NaCO3- 4.698e-07 2.577e-06 -6.328 -5.589 0.739 NaCO3- 4.698e-07 2.577e-06 -6.328 -5.589 0.739 (0)
CO3-2 1.307e-07 1.465e-08 -6.884 -7.834 -0.950 CO3-2 1.307e-07 1.465e-08 -6.884 -7.834 -0.950 (0)
Ca 4.655e-01 Ca 4.655e-01
Ca+2 4.629e-01 7.121e-01 -0.335 -0.147 0.187 Ca+2 4.629e-01 7.121e-01 -0.335 -0.147 0.187 (0)
CaSO4 1.606e-03 8.565e-03 -2.794 -2.067 0.727 CaSO4 1.606e-03 8.565e-03 -2.794 -2.067 0.727 (0)
CaHCO3+ 1.002e-03 5.494e-03 -2.999 -2.260 0.739 CaHCO3+ 1.002e-03 5.494e-03 -2.999 -2.260 0.739 (0)
CaCO3 3.278e-06 1.748e-05 -5.484 -4.758 0.727 CaCO3 3.278e-06 1.748e-05 -5.484 -4.758 0.727 (0)
CaHSO4+ 1.772e-08 9.716e-08 -7.752 -7.012 0.739 CaHSO4+ 1.772e-08 9.716e-08 -7.752 -7.012 0.739 (0)
CaOH+ 8.731e-09 4.788e-08 -8.059 -7.320 0.739 CaOH+ 8.731e-09 4.788e-08 -8.059 -7.320 0.739 (0)
Cl 6.642e+00 Cl 6.642e+00
Cl- 6.642e+00 3.947e+00 0.822 0.596 -0.226 Cl- 6.642e+00 3.947e+00 0.822 0.596 -0.226 (0)
H(0) 0.000e+00 H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -45.226 -44.499 0.727 H2 0.000e+00 0.000e+00 -45.226 -44.499 0.727 (0)
Mg 1.609e-01 Mg 1.609e-01
Mg+2 1.588e-01 5.233e-01 -0.799 -0.281 0.518 Mg+2 1.588e-01 5.233e-01 -0.799 -0.281 0.518 (0)
MgSO4 1.387e-03 7.395e-03 -2.858 -2.131 0.727 MgSO4 1.387e-03 7.395e-03 -2.858 -2.131 0.727 (0)
MgHCO3+ 6.754e-04 3.704e-03 -3.170 -2.431 0.739 MgHCO3+ 6.754e-04 3.704e-03 -3.170 -2.431 0.739 (0)
MgCO3 1.372e-06 7.316e-06 -5.863 -5.136 0.727 MgCO3 1.372e-06 7.316e-06 -5.863 -5.136 0.727 (0)
MgOH+ 1.404e-07 7.698e-07 -6.853 -6.114 0.739 MgOH+ 1.404e-07 7.698e-07 -6.853 -6.114 0.739 (0)
Na 5.402e+00 Na 5.402e+00
Na+ 5.401e+00 9.445e+00 0.732 0.975 0.243 Na+ 5.401e+00 9.445e+00 0.732 0.975 0.243 (0)
NaHCO3 6.026e-04 3.213e-03 -3.220 -2.493 0.727 NaHCO3 6.026e-04 3.213e-03 -3.220 -2.493 0.727 (0)
NaSO4- 5.203e-04 2.854e-03 -3.284 -2.545 0.739 NaSO4- 5.203e-04 2.854e-03 -3.284 -2.545 0.739 (0)
NaCO3- 4.698e-07 2.577e-06 -6.328 -5.589 0.739 NaCO3- 4.698e-07 2.577e-06 -6.328 -5.589 0.739 (0)
O(0) 9.589e-05 O(0) 9.589e-05
O2 4.795e-05 2.556e-04 -4.319 -3.592 0.727 O2 4.795e-05 2.556e-04 -4.319 -3.592 0.727 (0)
S(-2) 0.000e+00 S(-2) 0.000e+00
H2S 0.000e+00 0.000e+00 -140.704 -139.977 0.727 H2S 0.000e+00 0.000e+00 -140.704 -139.977 0.727 (0)
HS- 0.000e+00 0.000e+00 -141.945 -141.206 0.739 HS- 0.000e+00 0.000e+00 -141.945 -141.206 0.739 (0)
S5-2 0.000e+00 0.000e+00 -144.615 -145.088 -0.473 S5-2 0.000e+00 0.000e+00 -144.615 -145.088 -0.473 (0)
S4-2 0.000e+00 0.000e+00 -144.764 -145.322 -0.558 S4-2 0.000e+00 0.000e+00 -144.764 -145.322 -0.558 (0)
S6-2 0.000e+00 0.000e+00 -144.964 -145.374 -0.410 S6-2 0.000e+00 0.000e+00 -144.964 -145.374 -0.410 (0)
S3-2 0.000e+00 0.000e+00 -148.095 -148.775 -0.680 S3-2 0.000e+00 0.000e+00 -148.095 -148.775 -0.680 (0)
S2-2 0.000e+00 0.000e+00 -149.207 -150.021 -0.813 S2-2 0.000e+00 0.000e+00 -149.207 -150.021 -0.813 (0)
S-2 0.000e+00 0.000e+00 -151.367 -148.411 2.956 S-2 0.000e+00 0.000e+00 -151.367 -148.411 2.956 (0)
AsS(OH)(HS)- 0.000e+00 0.000e+00 -302.845 -302.106 0.739 AsS(OH)(HS)- 0.000e+00 0.000e+00 -302.845 -302.106 0.739 (0)
As3S4(HS)2- 0.000e+00 0.000e+00 -899.967 -899.227 0.739 As3S4(HS)2- 0.000e+00 0.000e+00 -899.967 -899.227 0.739 (0)
S(6) 4.725e-03 S(6) 4.725e-03
CaSO4 1.606e-03 8.565e-03 -2.794 -2.067 0.727 CaSO4 1.606e-03 8.565e-03 -2.794 -2.067 0.727 (0)
MgSO4 1.387e-03 7.395e-03 -2.858 -2.131 0.727 MgSO4 1.387e-03 7.395e-03 -2.858 -2.131 0.727 (0)
SO4-2 1.211e-03 6.028e-05 -2.917 -4.220 -1.303 SO4-2 1.211e-03 6.028e-05 -2.917 -4.220 -1.303 (0)
NaSO4- 5.203e-04 2.854e-03 -3.284 -2.545 0.739 NaSO4- 5.203e-04 2.854e-03 -3.284 -2.545 0.739 (0)
CaHSO4+ 1.772e-08 9.716e-08 -7.752 -7.012 0.739 CaHSO4+ 1.772e-08 9.716e-08 -7.752 -7.012 0.739 (0)
HSO4- 2.069e-09 1.135e-08 -8.684 -7.945 0.739 HSO4- 2.069e-09 1.135e-08 -8.684 -7.945 0.739 (0)
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
@ -286,79 +286,79 @@ Dolomite 0.00 -17.09 -17.09 1.600e+00 1.599e+00 -7.679e-04
----------------------------Distribution of species---------------------------- ----------------------------Distribution of species----------------------------
Log Log Log Log Log Log mole V
Species Molality Activity Molality Activity Gamma Species Molality Activity Molality Activity Gamma cm3/mol
H+ 6.361e-06 4.471e-06 -5.196 -5.350 -0.153 H+ 6.361e-06 4.471e-06 -5.196 -5.350 -0.153 0.00
OH- 3.204e-10 1.757e-09 -9.494 -8.755 0.739 OH- 3.204e-10 1.757e-09 -9.494 -8.755 0.739 (0)
H2O 5.551e+01 7.846e-01 1.744 -0.105 0.000 H2O 5.551e+01 7.846e-01 1.744 -0.105 0.000 18.07
As(3) 2.549e-33 As(3) 2.549e-33
H3AsO3 2.549e-33 1.359e-32 -32.594 -31.867 0.727 H3AsO3 2.549e-33 1.359e-32 -32.594 -31.867 0.727 (0)
H2AsO3- 3.924e-37 2.152e-36 -36.406 -35.667 0.739 H2AsO3- 3.924e-37 2.152e-36 -36.406 -35.667 0.739 (0)
H4AsO3+ 5.489e-39 3.010e-38 -38.260 -37.521 0.739 H4AsO3+ 5.489e-39 3.010e-38 -38.260 -37.521 0.739 (0)
HAsO3-2 0.000e+00 0.000e+00 -47.974 -45.018 2.956 HAsO3-2 0.000e+00 0.000e+00 -47.974 -45.018 2.956 (0)
AsO3-3 0.000e+00 0.000e+00 -62.020 -55.368 6.652 AsO3-3 0.000e+00 0.000e+00 -62.020 -55.368 6.652 (0)
AsS(OH)(HS)- 0.000e+00 0.000e+00 -301.392 -300.653 0.739 AsS(OH)(HS)- 0.000e+00 0.000e+00 -301.392 -300.653 0.739 (0)
As3S4(HS)2- 0.000e+00 0.000e+00 -894.882 -894.143 0.739 As3S4(HS)2- 0.000e+00 0.000e+00 -894.882 -894.143 0.739 (0)
As(5) 2.500e-08 As(5) 2.500e-08
H2AsO4- 2.498e-08 1.370e-07 -7.602 -6.863 0.739 H2AsO4- 2.498e-08 1.370e-07 -7.602 -6.863 0.739 (0)
H3AsO4 1.996e-11 1.064e-10 -10.700 -9.973 0.727 H3AsO4 1.996e-11 1.064e-10 -10.700 -9.973 0.727 (0)
HAsO4-2 3.715e-12 3.359e-09 -11.430 -8.474 2.956 HAsO4-2 3.715e-12 3.359e-09 -11.430 -8.474 2.956 (0)
AsO4-3 5.299e-22 2.376e-15 -21.276 -14.624 6.652 AsO4-3 5.299e-22 2.376e-15 -21.276 -14.624 6.652 (0)
C(-4) 0.000e+00 C(-4) 0.000e+00
CH4 0.000e+00 0.000e+00 -143.767 -143.040 0.727 CH4 0.000e+00 0.000e+00 -143.767 -143.040 0.727 (0)
C(4) 3.514e-03 C(4) 3.514e-03
CO2 1.068e-03 5.694e-03 -2.971 -2.245 0.727 CO2 1.068e-03 5.694e-03 -2.971 -2.245 0.727 (0)
HCO3- 7.680e-04 4.444e-04 -3.115 -3.352 -0.238 HCO3- 7.680e-04 4.444e-04 -3.115 -3.352 -0.238 (0)
CaHCO3+ 7.345e-04 4.028e-03 -3.134 -2.395 0.739 CaHCO3+ 7.345e-04 4.028e-03 -3.134 -2.395 0.739 (0)
MgHCO3+ 4.991e-04 2.737e-03 -3.302 -2.563 0.739 MgHCO3+ 4.991e-04 2.737e-03 -3.302 -2.563 0.739 (0)
NaHCO3 4.428e-04 2.361e-03 -3.354 -2.627 0.727 NaHCO3 4.428e-04 2.361e-03 -3.354 -2.627 0.727 (0)
CaCO3 1.041e-06 5.550e-06 -5.983 -5.256 0.727 CaCO3 1.041e-06 5.550e-06 -5.983 -5.256 0.727 (0)
MgCO3 4.392e-07 2.341e-06 -6.357 -5.631 0.727 MgCO3 4.392e-07 2.341e-06 -6.357 -5.631 0.727 (0)
NaCO3- 1.495e-07 8.199e-07 -6.825 -6.086 0.739 NaCO3- 1.495e-07 8.199e-07 -6.825 -6.086 0.739 (0)
CO3-2 4.158e-08 4.662e-09 -7.381 -8.331 -0.950 CO3-2 4.158e-08 4.662e-09 -7.381 -8.331 -0.950 (0)
Ca 4.643e-01 Ca 4.643e-01
Ca+2 4.619e-01 7.106e-01 -0.335 -0.148 0.187 Ca+2 4.619e-01 7.106e-01 -0.335 -0.148 0.187 (0)
CaSO4 1.601e-03 8.538e-03 -2.796 -2.069 0.727 CaSO4 1.601e-03 8.538e-03 -2.796 -2.069 0.727 (0)
CaHCO3+ 7.345e-04 4.028e-03 -3.134 -2.395 0.739 CaHCO3+ 7.345e-04 4.028e-03 -3.134 -2.395 0.739 (0)
CaCO3 1.041e-06 5.550e-06 -5.983 -5.256 0.727 CaCO3 1.041e-06 5.550e-06 -5.983 -5.256 0.727 (0)
CaHSO4+ 4.078e-08 2.236e-07 -7.390 -6.650 0.739 CaHSO4+ 4.078e-08 2.236e-07 -7.390 -6.650 0.739 (0)
CaOH+ 3.774e-09 2.069e-08 -8.423 -7.684 0.739 CaOH+ 3.774e-09 2.069e-08 -8.423 -7.684 0.739 (0)
Cl 6.642e+00 Cl 6.642e+00
Cl- 6.642e+00 3.947e+00 0.822 0.596 -0.226 Cl- 6.642e+00 3.947e+00 0.822 0.596 -0.226 (0)
H(0) 0.000e+00 H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -45.226 -44.499 0.727 H2 0.000e+00 0.000e+00 -45.226 -44.499 0.727 (0)
Mg 1.617e-01 Mg 1.617e-01
Mg+2 1.598e-01 5.263e-01 -0.796 -0.279 0.518 Mg+2 1.598e-01 5.263e-01 -0.796 -0.279 0.518 (0)
MgSO4 1.394e-03 7.430e-03 -2.856 -2.129 0.727 MgSO4 1.394e-03 7.430e-03 -2.856 -2.129 0.727 (0)
MgHCO3+ 4.991e-04 2.737e-03 -3.302 -2.563 0.739 MgHCO3+ 4.991e-04 2.737e-03 -3.302 -2.563 0.739 (0)
MgCO3 4.392e-07 2.341e-06 -6.357 -5.631 0.727 MgCO3 4.392e-07 2.341e-06 -6.357 -5.631 0.727 (0)
MgOH+ 6.115e-08 3.353e-07 -7.214 -6.475 0.739 MgOH+ 6.115e-08 3.353e-07 -7.214 -6.475 0.739 (0)
Na 5.402e+00 Na 5.402e+00
Na+ 5.401e+00 9.445e+00 0.732 0.975 0.243 Na+ 5.401e+00 9.445e+00 0.732 0.975 0.243 (0)
NaSO4- 5.199e-04 2.851e-03 -3.284 -2.545 0.739 NaSO4- 5.199e-04 2.851e-03 -3.284 -2.545 0.739 (0)
NaHCO3 4.428e-04 2.361e-03 -3.354 -2.627 0.727 NaHCO3 4.428e-04 2.361e-03 -3.354 -2.627 0.727 (0)
NaCO3- 1.495e-07 8.199e-07 -6.825 -6.086 0.739 NaCO3- 1.495e-07 8.199e-07 -6.825 -6.086 0.739 (0)
O(0) 9.589e-05 O(0) 9.589e-05
O2 4.795e-05 2.556e-04 -4.319 -3.592 0.727 O2 4.795e-05 2.556e-04 -4.319 -3.592 0.727 (0)
S(-2) 0.000e+00 S(-2) 0.000e+00
H2S 0.000e+00 0.000e+00 -139.978 -139.251 0.727 H2S 0.000e+00 0.000e+00 -139.978 -139.251 0.727 (0)
HS- 0.000e+00 0.000e+00 -141.582 -140.843 0.739 HS- 0.000e+00 0.000e+00 -141.582 -140.843 0.739 (0)
S5-2 0.000e+00 0.000e+00 -144.616 -145.088 -0.473 S5-2 0.000e+00 0.000e+00 -144.616 -145.088 -0.473 (0)
S4-2 0.000e+00 0.000e+00 -144.765 -145.322 -0.558 S4-2 0.000e+00 0.000e+00 -144.765 -145.322 -0.558 (0)
S6-2 0.000e+00 0.000e+00 -144.964 -145.374 -0.410 S6-2 0.000e+00 0.000e+00 -144.964 -145.374 -0.410 (0)
S3-2 0.000e+00 0.000e+00 -148.095 -148.775 -0.680 S3-2 0.000e+00 0.000e+00 -148.095 -148.775 -0.680 (0)
S2-2 0.000e+00 0.000e+00 -149.208 -150.021 -0.813 S2-2 0.000e+00 0.000e+00 -149.208 -150.021 -0.813 (0)
S-2 0.000e+00 0.000e+00 -151.367 -148.411 2.956 S-2 0.000e+00 0.000e+00 -151.367 -148.411 2.956 (0)
AsS(OH)(HS)- 0.000e+00 0.000e+00 -301.392 -300.653 0.739 AsS(OH)(HS)- 0.000e+00 0.000e+00 -301.392 -300.653 0.739 (0)
As3S4(HS)2- 0.000e+00 0.000e+00 -894.882 -894.143 0.739 As3S4(HS)2- 0.000e+00 0.000e+00 -894.882 -894.143 0.739 (0)
S(6) 4.725e-03 S(6) 4.725e-03
CaSO4 1.601e-03 8.538e-03 -2.796 -2.069 0.727 CaSO4 1.601e-03 8.538e-03 -2.796 -2.069 0.727 (0)
MgSO4 1.394e-03 7.430e-03 -2.856 -2.129 0.727 MgSO4 1.394e-03 7.430e-03 -2.856 -2.129 0.727 (0)
SO4-2 1.210e-03 6.022e-05 -2.917 -4.220 -1.303 SO4-2 1.210e-03 6.022e-05 -2.917 -4.220 -1.303 (0)
NaSO4- 5.199e-04 2.851e-03 -3.284 -2.545 0.739 NaSO4- 5.199e-04 2.851e-03 -3.284 -2.545 0.739 (0)
CaHSO4+ 4.078e-08 2.236e-07 -7.390 -6.650 0.739 CaHSO4+ 4.078e-08 2.236e-07 -7.390 -6.650 0.739 (0)
HSO4- 4.774e-09 2.618e-08 -8.321 -7.582 0.739 HSO4- 4.774e-09 2.618e-08 -8.321 -7.582 0.739 (0)
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
@ -523,64 +523,64 @@ Initial solution 0. 20 x precipitation
----------------------------Distribution of species---------------------------- ----------------------------Distribution of species----------------------------
Log Log Log Log Log Log mole V
Species Molality Activity Molality Activity Gamma Species Molality Activity Molality Activity Gamma cm3/mol
H+ 2.600e-05 2.512e-05 -4.585 -4.600 -0.015 H+ 2.600e-05 2.512e-05 -4.585 -4.600 -0.015 0.00
OH- 4.132e-10 3.985e-10 -9.384 -9.400 -0.016 OH- 4.132e-10 3.985e-10 -9.384 -9.400 -0.016 (0)
H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 H2O 5.551e+01 1.000e+00 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 -145.553 -145.553 0.000 CH4 0.000e+00 0.000e+00 -145.553 -145.553 0.000 (0)
C(4) 1.096e-05 C(4) 1.096e-05
CO2 1.076e-05 1.076e-05 -4.968 -4.968 0.000 CO2 1.076e-05 1.076e-05 -4.968 -4.968 0.000 (0)
HCO3- 1.975e-07 1.906e-07 -6.704 -6.720 -0.015 HCO3- 1.975e-07 1.906e-07 -6.704 -6.720 -0.015 (0)
CaHCO3+ 4.049e-10 3.905e-10 -9.393 -9.408 -0.016 CaHCO3+ 4.049e-10 3.905e-10 -9.393 -9.408 -0.016 (0)
MgHCO3+ 6.905e-11 6.660e-11 -10.161 -10.177 -0.016 MgHCO3+ 6.905e-11 6.660e-11 -10.161 -10.177 -0.016 (0)
NaHCO3 1.267e-11 1.267e-11 -10.897 -10.897 0.000 NaHCO3 1.267e-11 1.267e-11 -10.897 -10.897 0.000 (0)
CO3-2 4.105e-13 3.559e-13 -12.387 -12.449 -0.062 CO3-2 4.105e-13 3.559e-13 -12.387 -12.449 -0.062 (0)
CaCO3 9.575e-14 9.577e-14 -13.019 -13.019 0.000 CaCO3 9.575e-14 9.577e-14 -13.019 -13.019 0.000 (0)
MgCO3 1.014e-14 1.014e-14 -13.994 -13.994 0.000 MgCO3 1.014e-14 1.014e-14 -13.994 -13.994 0.000 (0)
NaCO3- 8.122e-16 7.833e-16 -15.090 -15.106 -0.016 NaCO3- 8.122e-16 7.833e-16 -15.090 -15.106 -0.016 (0)
Ca 1.916e-04 Ca 1.916e-04
Ca+2 1.853e-04 1.606e-04 -3.732 -3.794 -0.062 Ca+2 1.853e-04 1.606e-04 -3.732 -3.794 -0.062 (0)
CaSO4 6.296e-06 6.297e-06 -5.201 -5.201 0.000 CaSO4 6.296e-06 6.297e-06 -5.201 -5.201 0.000 (0)
CaHSO4+ 9.608e-10 9.267e-10 -9.017 -9.033 -0.016 CaHSO4+ 9.608e-10 9.267e-10 -9.017 -9.033 -0.016 (0)
CaHCO3+ 4.049e-10 3.905e-10 -9.393 -9.408 -0.016 CaHCO3+ 4.049e-10 3.905e-10 -9.393 -9.408 -0.016 (0)
CaOH+ 1.100e-12 1.061e-12 -11.958 -11.974 -0.016 CaOH+ 1.100e-12 1.061e-12 -11.958 -11.974 -0.016 (0)
CaCO3 9.575e-14 9.577e-14 -13.019 -13.019 0.000 CaCO3 9.575e-14 9.577e-14 -13.019 -13.019 0.000 (0)
Cl 1.337e-04 Cl 1.337e-04
Cl- 1.337e-04 1.289e-04 -3.874 -3.890 -0.016 Cl- 1.337e-04 1.289e-04 -3.874 -3.890 -0.016 (0)
H(0) 0.000e+00 H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -44.394 -44.394 0.000 H2 0.000e+00 0.000e+00 -44.394 -44.394 0.000 (0)
Mg 3.580e-05 Mg 3.580e-05
Mg+2 3.442e-05 2.986e-05 -4.463 -4.525 -0.062 Mg+2 3.442e-05 2.986e-05 -4.463 -4.525 -0.062 (0)
MgSO4 1.375e-06 1.375e-06 -5.862 -5.862 0.000 MgSO4 1.375e-06 1.375e-06 -5.862 -5.862 0.000 (0)
MgHCO3+ 6.905e-11 6.660e-11 -10.161 -10.177 -0.016 MgHCO3+ 6.905e-11 6.660e-11 -10.161 -10.177 -0.016 (0)
MgOH+ 4.475e-12 4.316e-12 -11.349 -11.365 -0.016 MgOH+ 4.475e-12 4.316e-12 -11.349 -11.365 -0.016 (0)
MgCO3 1.014e-14 1.014e-14 -13.994 -13.994 0.000 MgCO3 1.014e-14 1.014e-14 -13.994 -13.994 0.000 (0)
Na 1.227e-04 Na 1.227e-04
Na+ 1.225e-04 1.182e-04 -3.912 -3.927 -0.016 Na+ 1.225e-04 1.182e-04 -3.912 -3.927 -0.016 (0)
NaSO4- 1.207e-07 1.164e-07 -6.918 -6.934 -0.016 NaSO4- 1.207e-07 1.164e-07 -6.918 -6.934 -0.016 (0)
NaHCO3 1.267e-11 1.267e-11 -10.897 -10.897 0.000 NaHCO3 1.267e-11 1.267e-11 -10.897 -10.897 0.000 (0)
NaCO3- 8.122e-16 7.833e-16 -15.090 -15.106 -0.016 NaCO3- 8.122e-16 7.833e-16 -15.090 -15.106 -0.016 (0)
O(0) 5.112e-04 O(0) 5.112e-04
O2 2.556e-04 2.556e-04 -3.592 -3.592 0.000 O2 2.556e-04 2.556e-04 -3.592 -3.592 0.000 (0)
S(-2) 0.000e+00 S(-2) 0.000e+00
H2S 0.000e+00 0.000e+00 -137.238 -137.238 0.000 H2S 0.000e+00 0.000e+00 -137.238 -137.238 0.000 (0)
HS- 0.000e+00 0.000e+00 -139.564 -139.580 -0.016 HS- 0.000e+00 0.000e+00 -139.564 -139.580 -0.016 (0)
S5-2 0.000e+00 0.000e+00 -144.517 -144.575 -0.058 S5-2 0.000e+00 0.000e+00 -144.517 -144.575 -0.058 (0)
S4-2 0.000e+00 0.000e+00 -144.749 -144.809 -0.059 S4-2 0.000e+00 0.000e+00 -144.749 -144.809 -0.059 (0)
S6-2 0.000e+00 0.000e+00 -144.804 -144.861 -0.057 S6-2 0.000e+00 0.000e+00 -144.804 -144.861 -0.057 (0)
S-2 0.000e+00 0.000e+00 -147.835 -147.898 -0.063 S-2 0.000e+00 0.000e+00 -147.835 -147.898 -0.063 (0)
S3-2 0.000e+00 0.000e+00 -148.201 -148.262 -0.060 S3-2 0.000e+00 0.000e+00 -148.201 -148.262 -0.060 (0)
S2-2 0.000e+00 0.000e+00 -149.446 -149.508 -0.061 S2-2 0.000e+00 0.000e+00 -149.446 -149.508 -0.061 (0)
S(6) 2.351e-04 S(6) 2.351e-04
SO4-2 2.268e-04 1.965e-04 -3.644 -3.707 -0.062 SO4-2 2.268e-04 1.965e-04 -3.644 -3.707 -0.062 (0)
CaSO4 6.296e-06 6.297e-06 -5.201 -5.201 0.000 CaSO4 6.296e-06 6.297e-06 -5.201 -5.201 0.000 (0)
MgSO4 1.375e-06 1.375e-06 -5.862 -5.862 0.000 MgSO4 1.375e-06 1.375e-06 -5.862 -5.862 0.000 (0)
HSO4- 4.975e-07 4.798e-07 -6.303 -6.319 -0.016 HSO4- 4.975e-07 4.798e-07 -6.303 -6.319 -0.016 (0)
NaSO4- 1.207e-07 1.164e-07 -6.918 -6.934 -0.016 NaSO4- 1.207e-07 1.164e-07 -6.918 -6.934 -0.016 (0)
CaHSO4+ 9.608e-10 9.267e-10 -9.017 -9.033 -0.016 CaHSO4+ 9.608e-10 9.267e-10 -9.017 -9.033 -0.016 (0)
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
@ -663,64 +663,64 @@ Dolomite -0.00 -17.09 -17.09 1.600e+00 1.599e+00 -1.349e-03
----------------------------Distribution of species---------------------------- ----------------------------Distribution of species----------------------------
Log Log Log Log Log Log mole V
Species Molality Activity Molality Activity Gamma Species Molality Activity Molality Activity Gamma cm3/mol
OH- 1.234e-07 1.115e-07 -6.909 -6.953 -0.044 OH- 1.234e-07 1.115e-07 -6.909 -6.953 -0.044 (0)
H+ 9.814e-08 8.977e-08 -7.008 -7.047 -0.039 H+ 9.814e-08 8.977e-08 -7.008 -7.047 -0.039 0.00
H2O 5.551e+01 9.998e-01 1.744 -0.000 0.000 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 CH4 0.000e+00 0.000e+00 -143.556 -143.555 0.001 (0)
C(4) 7.120e-03 C(4) 7.120e-03
HCO3- 5.883e-03 5.333e-03 -2.230 -2.273 -0.043 HCO3- 5.883e-03 5.333e-03 -2.230 -2.273 -0.043 (0)
CO2 1.074e-03 1.077e-03 -2.969 -2.968 0.001 CO2 1.074e-03 1.077e-03 -2.969 -2.968 0.001 (0)
CaHCO3+ 8.950e-05 8.087e-05 -4.048 -4.092 -0.044 CaHCO3+ 8.950e-05 8.087e-05 -4.048 -4.092 -0.044 (0)
MgHCO3+ 6.082e-05 5.496e-05 -4.216 -4.260 -0.044 MgHCO3+ 6.082e-05 5.496e-05 -4.216 -4.260 -0.044 (0)
CaCO3 5.537e-06 5.550e-06 -5.257 -5.256 0.001 CaCO3 5.537e-06 5.550e-06 -5.257 -5.256 0.001 (0)
CO3-2 4.124e-06 2.786e-06 -5.385 -5.555 -0.170 CO3-2 4.124e-06 2.786e-06 -5.385 -5.555 -0.170 (0)
MgCO3 2.336e-06 2.341e-06 -5.631 -5.631 0.001 MgCO3 2.336e-06 2.341e-06 -5.631 -5.631 0.001 (0)
NaHCO3 3.310e-07 3.317e-07 -6.480 -6.479 0.001 NaHCO3 3.310e-07 3.317e-07 -6.480 -6.479 0.001 (0)
NaCO3- 6.351e-09 5.738e-09 -8.197 -8.241 -0.044 NaCO3- 6.351e-09 5.738e-09 -8.197 -8.241 -0.044 (0)
Ca 1.885e-03 Ca 1.885e-03
Ca+2 1.761e-03 1.189e-03 -2.754 -2.925 -0.171 Ca+2 1.761e-03 1.189e-03 -2.754 -2.925 -0.171 (0)
CaHCO3+ 8.950e-05 8.087e-05 -4.048 -4.092 -0.044 CaHCO3+ 8.950e-05 8.087e-05 -4.048 -4.092 -0.044 (0)
CaSO4 2.881e-05 2.887e-05 -4.540 -4.539 0.001 CaSO4 2.881e-05 2.887e-05 -4.540 -4.539 0.001 (0)
CaCO3 5.537e-06 5.550e-06 -5.257 -5.256 0.001 CaCO3 5.537e-06 5.550e-06 -5.257 -5.256 0.001 (0)
CaOH+ 2.432e-09 2.198e-09 -8.614 -8.658 -0.044 CaOH+ 2.432e-09 2.198e-09 -8.614 -8.658 -0.044 (0)
CaHSO4+ 1.681e-11 1.518e-11 -10.775 -10.819 -0.044 CaHSO4+ 1.681e-11 1.518e-11 -10.775 -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 Cl- 1.337e-04 1.206e-04 -3.874 -3.919 -0.045 (0)
H(0) 0.000e+00 H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -44.395 -44.394 0.001 H2 0.000e+00 0.000e+00 -44.395 -44.394 0.001 (0)
Mg 1.385e-03 Mg 1.385e-03
Mg+2 1.296e-03 8.806e-04 -2.887 -3.055 -0.168 Mg+2 1.296e-03 8.806e-04 -2.887 -3.055 -0.168 (0)
MgHCO3+ 6.082e-05 5.496e-05 -4.216 -4.260 -0.044 MgHCO3+ 6.082e-05 5.496e-05 -4.216 -4.260 -0.044 (0)
MgSO4 2.507e-05 2.513e-05 -4.601 -4.600 0.001 MgSO4 2.507e-05 2.513e-05 -4.601 -4.600 0.001 (0)
MgCO3 2.336e-06 2.341e-06 -5.631 -5.631 0.001 MgCO3 2.336e-06 2.341e-06 -5.631 -5.631 0.001 (0)
MgOH+ 3.941e-08 3.561e-08 -7.404 -7.448 -0.044 MgOH+ 3.941e-08 3.561e-08 -7.404 -7.448 -0.044 (0)
Na 1.227e-04 Na 1.227e-04
Na+ 1.223e-04 1.106e-04 -3.913 -3.956 -0.044 Na+ 1.223e-04 1.106e-04 -3.913 -3.956 -0.044 (0)
NaHCO3 3.310e-07 3.317e-07 -6.480 -6.479 0.001 NaHCO3 3.310e-07 3.317e-07 -6.480 -6.479 0.001 (0)
NaSO4- 7.467e-08 6.747e-08 -7.127 -7.171 -0.044 NaSO4- 7.467e-08 6.747e-08 -7.127 -7.171 -0.044 (0)
NaCO3- 6.351e-09 5.738e-09 -8.197 -8.241 -0.044 NaCO3- 6.351e-09 5.738e-09 -8.197 -8.241 -0.044 (0)
O(0) 5.112e-04 O(0) 5.112e-04
O2 2.556e-04 2.562e-04 -3.592 -3.591 0.001 O2 2.556e-04 2.562e-04 -3.592 -3.591 0.001 (0)
S(-2) 0.000e+00 S(-2) 0.000e+00
HS- 0.000e+00 0.000e+00 -142.192 -142.236 -0.044 HS- 0.000e+00 0.000e+00 -142.192 -142.236 -0.044 (0)
H2S 0.000e+00 0.000e+00 -142.342 -142.341 0.001 H2S 0.000e+00 0.000e+00 -142.342 -142.341 0.001 (0)
S5-2 0.000e+00 0.000e+00 -144.640 -144.784 -0.144 S5-2 0.000e+00 0.000e+00 -144.640 -144.784 -0.144 (0)
S4-2 0.000e+00 0.000e+00 -144.867 -145.018 -0.151 S4-2 0.000e+00 0.000e+00 -144.867 -145.018 -0.151 (0)
S6-2 0.000e+00 0.000e+00 -144.933 -145.070 -0.138 S6-2 0.000e+00 0.000e+00 -144.933 -145.070 -0.138 (0)
S-2 0.000e+00 0.000e+00 -147.931 -148.107 -0.176 S-2 0.000e+00 0.000e+00 -147.931 -148.107 -0.176 (0)
S3-2 0.000e+00 0.000e+00 -148.312 -148.471 -0.159 S3-2 0.000e+00 0.000e+00 -148.312 -148.471 -0.159 (0)
S2-2 0.000e+00 0.000e+00 -149.552 -149.717 -0.165 S2-2 0.000e+00 0.000e+00 -149.552 -149.717 -0.165 (0)
S(6) 2.351e-04 S(6) 2.351e-04
SO4-2 1.811e-04 1.217e-04 -3.742 -3.915 -0.173 SO4-2 1.811e-04 1.217e-04 -3.742 -3.915 -0.173 (0)
CaSO4 2.881e-05 2.887e-05 -4.540 -4.539 0.001 CaSO4 2.881e-05 2.887e-05 -4.540 -4.539 0.001 (0)
MgSO4 2.507e-05 2.513e-05 -4.601 -4.600 0.001 MgSO4 2.507e-05 2.513e-05 -4.601 -4.600 0.001 (0)
NaSO4- 7.467e-08 6.747e-08 -7.127 -7.171 -0.044 NaSO4- 7.467e-08 6.747e-08 -7.127 -7.171 -0.044 (0)
HSO4- 1.176e-09 1.062e-09 -8.930 -8.974 -0.044 HSO4- 1.176e-09 1.062e-09 -8.930 -8.974 -0.044 (0)
CaHSO4+ 1.681e-11 1.518e-11 -10.775 -10.819 -0.044 CaHSO4+ 1.681e-11 1.518e-11 -10.775 -10.819 -0.044 (0)
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
@ -1066,79 +1066,79 @@ X 1.000e+00 mol
----------------------------Distribution of species---------------------------- ----------------------------Distribution of species----------------------------
Log Log Log Log Log Log mole V
Species Molality Activity Molality Activity Gamma Species Molality Activity Molality Activity Gamma cm3/mol
OH- 1.231e-07 1.112e-07 -6.910 -6.954 -0.044 OH- 1.231e-07 1.112e-07 -6.910 -6.954 -0.044 (0)
H+ 9.839e-08 9.000e-08 -7.007 -7.046 -0.039 H+ 9.839e-08 9.000e-08 -7.007 -7.046 -0.039 0.00
H2O 5.551e+01 9.998e-01 1.744 -0.000 0.000 H2O 5.551e+01 9.998e-01 1.744 -0.000 0.000 18.07
As(3) 4.168e-38 As(3) 4.168e-38
H3AsO3 4.131e-38 4.141e-38 -37.384 -37.383 0.001 H3AsO3 4.131e-38 4.141e-38 -37.384 -37.383 0.001 (0)
H2AsO3- 3.605e-40 3.257e-40 -39.443 -39.487 -0.044 H2AsO3- 3.605e-40 3.257e-40 -39.443 -39.487 -0.044 (0)
H4AsO3+ 0.000e+00 0.000e+00 -44.690 -44.734 -0.044 H4AsO3+ 0.000e+00 0.000e+00 -44.690 -44.734 -0.044 (0)
HAsO3-2 0.000e+00 0.000e+00 -46.965 -47.141 -0.176 HAsO3-2 0.000e+00 0.000e+00 -46.965 -47.141 -0.176 (0)
AsO3-3 0.000e+00 0.000e+00 -55.399 -55.796 -0.396 AsO3-3 0.000e+00 0.000e+00 -55.399 -55.796 -0.396 (0)
AsS(OH)(HS)- 0.000e+00 0.000e+00 -310.817 -310.861 -0.044 AsS(OH)(HS)- 0.000e+00 0.000e+00 -310.817 -310.861 -0.044 (0)
As3S4(HS)2- 0.000e+00 0.000e+00 -928.430 -928.475 -0.044 As3S4(HS)2- 0.000e+00 0.000e+00 -928.430 -928.475 -0.044 (0)
As(5) 6.090e-11 As(5) 6.090e-11
HAsO4-2 3.793e-11 2.529e-11 -10.421 -10.597 -0.176 HAsO4-2 3.793e-11 2.529e-11 -10.421 -10.597 -0.176 (0)
H2AsO4- 2.297e-11 2.075e-11 -10.639 -10.683 -0.044 H2AsO4- 2.297e-11 2.075e-11 -10.639 -10.683 -0.044 (0)
AsO4-3 2.213e-15 8.885e-16 -14.655 -15.051 -0.396 AsO4-3 2.213e-15 8.885e-16 -14.655 -15.051 -0.396 (0)
H3AsO4 3.239e-16 3.246e-16 -15.490 -15.489 0.001 H3AsO4 3.239e-16 3.246e-16 -15.490 -15.489 0.001 (0)
C(-4) 0.000e+00 C(-4) 0.000e+00
CH4 0.000e+00 0.000e+00 -143.555 -143.554 0.001 CH4 0.000e+00 0.000e+00 -143.555 -143.554 0.001 (0)
C(4) 7.117e-03 C(4) 7.117e-03
HCO3- 5.879e-03 5.330e-03 -2.231 -2.273 -0.043 HCO3- 5.879e-03 5.330e-03 -2.231 -2.273 -0.043 (0)
CO2 1.076e-03 1.079e-03 -2.968 -2.967 0.001 CO2 1.076e-03 1.079e-03 -2.968 -2.967 0.001 (0)
CaHCO3+ 8.738e-05 7.896e-05 -4.059 -4.103 -0.044 CaHCO3+ 8.738e-05 7.896e-05 -4.059 -4.103 -0.044 (0)
MgHCO3+ 6.261e-05 5.658e-05 -4.203 -4.247 -0.044 MgHCO3+ 6.261e-05 5.658e-05 -4.203 -4.247 -0.044 (0)
CaCO3 5.393e-06 5.404e-06 -5.268 -5.267 0.001 CaCO3 5.393e-06 5.404e-06 -5.268 -5.267 0.001 (0)
CO3-2 4.110e-06 2.777e-06 -5.386 -5.556 -0.170 CO3-2 4.110e-06 2.777e-06 -5.386 -5.556 -0.170 (0)
MgCO3 2.399e-06 2.404e-06 -5.620 -5.619 0.001 MgCO3 2.399e-06 2.404e-06 -5.620 -5.619 0.001 (0)
NaHCO3 3.310e-07 3.317e-07 -6.480 -6.479 0.001 NaHCO3 3.310e-07 3.317e-07 -6.480 -6.479 0.001 (0)
NaCO3- 6.335e-09 5.724e-09 -8.198 -8.242 -0.044 NaCO3- 6.335e-09 5.724e-09 -8.198 -8.242 -0.044 (0)
Ca 1.841e-03 Ca 1.841e-03
Ca+2 1.720e-03 1.161e-03 -2.764 -2.935 -0.171 Ca+2 1.720e-03 1.161e-03 -2.764 -2.935 -0.171 (0)
CaHCO3+ 8.738e-05 7.896e-05 -4.059 -4.103 -0.044 CaHCO3+ 8.738e-05 7.896e-05 -4.059 -4.103 -0.044 (0)
CaSO4 2.814e-05 2.820e-05 -4.551 -4.550 0.001 CaSO4 2.814e-05 2.820e-05 -4.551 -4.550 0.001 (0)
CaCO3 5.393e-06 5.404e-06 -5.268 -5.267 0.001 CaCO3 5.393e-06 5.404e-06 -5.268 -5.267 0.001 (0)
CaOH+ 2.370e-09 2.141e-09 -8.625 -8.669 -0.044 CaOH+ 2.370e-09 2.141e-09 -8.625 -8.669 -0.044 (0)
CaHSO4+ 1.645e-11 1.487e-11 -10.784 -10.828 -0.044 CaHSO4+ 1.645e-11 1.487e-11 -10.784 -10.828 -0.044 (0)
Cl 1.337e-04 Cl 1.337e-04
Cl- 1.337e-04 1.206e-04 -3.874 -3.919 -0.045 Cl- 1.337e-04 1.206e-04 -3.874 -3.919 -0.045 (0)
H(0) 0.000e+00 H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -44.395 -44.394 0.001 H2 0.000e+00 0.000e+00 -44.395 -44.394 0.001 (0)
Mg 1.426e-03 Mg 1.426e-03
Mg+2 1.335e-03 9.072e-04 -2.874 -3.042 -0.168 Mg+2 1.335e-03 9.072e-04 -2.874 -3.042 -0.168 (0)
MgHCO3+ 6.261e-05 5.658e-05 -4.203 -4.247 -0.044 MgHCO3+ 6.261e-05 5.658e-05 -4.203 -4.247 -0.044 (0)
MgSO4 2.582e-05 2.588e-05 -4.588 -4.587 0.001 MgSO4 2.582e-05 2.588e-05 -4.588 -4.587 0.001 (0)
MgCO3 2.399e-06 2.404e-06 -5.620 -5.619 0.001 MgCO3 2.399e-06 2.404e-06 -5.620 -5.619 0.001 (0)
MgOH+ 4.050e-08 3.659e-08 -7.393 -7.437 -0.044 MgOH+ 4.050e-08 3.659e-08 -7.393 -7.437 -0.044 (0)
Na 1.228e-04 Na 1.228e-04
Na+ 1.223e-04 1.107e-04 -3.912 -3.956 -0.044 Na+ 1.223e-04 1.107e-04 -3.912 -3.956 -0.044 (0)
NaHCO3 3.310e-07 3.317e-07 -6.480 -6.479 0.001 NaHCO3 3.310e-07 3.317e-07 -6.480 -6.479 0.001 (0)
NaSO4- 7.470e-08 6.750e-08 -7.127 -7.171 -0.044 NaSO4- 7.470e-08 6.750e-08 -7.127 -7.171 -0.044 (0)
NaCO3- 6.335e-09 5.724e-09 -8.198 -8.242 -0.044 NaCO3- 6.335e-09 5.724e-09 -8.198 -8.242 -0.044 (0)
O(0) 5.112e-04 O(0) 5.112e-04
O2 2.556e-04 2.562e-04 -3.592 -3.591 0.001 O2 2.556e-04 2.562e-04 -3.592 -3.591 0.001 (0)
S(-2) 0.000e+00 S(-2) 0.000e+00
HS- 0.000e+00 0.000e+00 -142.191 -142.235 -0.044 HS- 0.000e+00 0.000e+00 -142.191 -142.235 -0.044 (0)
H2S 0.000e+00 0.000e+00 -142.340 -142.339 0.001 H2S 0.000e+00 0.000e+00 -142.340 -142.339 0.001 (0)
S5-2 0.000e+00 0.000e+00 -144.640 -144.784 -0.144 S5-2 0.000e+00 0.000e+00 -144.640 -144.784 -0.144 (0)
S4-2 0.000e+00 0.000e+00 -144.867 -145.018 -0.151 S4-2 0.000e+00 0.000e+00 -144.867 -145.018 -0.151 (0)
S6-2 0.000e+00 0.000e+00 -144.933 -145.070 -0.138 S6-2 0.000e+00 0.000e+00 -144.933 -145.070 -0.138 (0)
S-2 0.000e+00 0.000e+00 -147.931 -148.107 -0.176 S-2 0.000e+00 0.000e+00 -147.931 -148.107 -0.176 (0)
S3-2 0.000e+00 0.000e+00 -148.313 -148.471 -0.159 S3-2 0.000e+00 0.000e+00 -148.313 -148.471 -0.159 (0)
S2-2 0.000e+00 0.000e+00 -149.552 -149.717 -0.165 S2-2 0.000e+00 0.000e+00 -149.552 -149.717 -0.165 (0)
AsS(OH)(HS)- 0.000e+00 0.000e+00 -310.817 -310.861 -0.044 AsS(OH)(HS)- 0.000e+00 0.000e+00 -310.817 -310.861 -0.044 (0)
As3S4(HS)2- 0.000e+00 0.000e+00 -928.430 -928.475 -0.044 As3S4(HS)2- 0.000e+00 0.000e+00 -928.430 -928.475 -0.044 (0)
S(6) 2.351e-04 S(6) 2.351e-04
SO4-2 1.810e-04 1.217e-04 -3.742 -3.915 -0.173 SO4-2 1.810e-04 1.217e-04 -3.742 -3.915 -0.173 (0)
CaSO4 2.814e-05 2.820e-05 -4.551 -4.550 0.001 CaSO4 2.814e-05 2.820e-05 -4.551 -4.550 0.001 (0)
MgSO4 2.582e-05 2.588e-05 -4.588 -4.587 0.001 MgSO4 2.582e-05 2.588e-05 -4.588 -4.587 0.001 (0)
NaSO4- 7.470e-08 6.750e-08 -7.127 -7.171 -0.044 NaSO4- 7.470e-08 6.750e-08 -7.127 -7.171 -0.044 (0)
HSO4- 1.178e-09 1.065e-09 -8.929 -8.973 -0.044 HSO4- 1.178e-09 1.065e-09 -8.929 -8.973 -0.044 (0)
CaHSO4+ 1.645e-11 1.487e-11 -10.784 -10.828 -0.044 CaHSO4+ 1.645e-11 1.487e-11 -10.784 -10.828 -0.044 (0)
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------

224
ex16.out
View File

@ -94,63 +94,63 @@ Initial solution 1.
----------------------------Distribution of species---------------------------- ----------------------------Distribution of species----------------------------
Log Log Log Log Log Log mole V
Species Molality Activity Molality Activity Gamma Species Molality Activity Molality Activity Gamma cm3/mol
H+ 6.464e-07 6.310e-07 -6.189 -6.200 -0.011 H+ 6.464e-07 6.310e-07 -6.189 -6.200 -0.011 0.00
OH- 1.627e-08 1.587e-08 -7.789 -7.800 -0.011 OH- 1.627e-08 1.587e-08 -7.789 -7.800 -0.011 (0)
H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07
C(4) 7.825e-04 C(4) 7.825e-04
CO2 4.540e-04 4.540e-04 -3.343 -3.343 0.000 CO2 4.540e-04 4.540e-04 -3.343 -3.343 0.000 (0)
HCO3- 3.281e-04 3.200e-04 -3.484 -3.495 -0.011 HCO3- 3.281e-04 3.200e-04 -3.484 -3.495 -0.011 24.29
CaHCO3+ 2.940e-07 2.868e-07 -6.532 -6.542 -0.011 CaHCO3+ 2.940e-07 2.868e-07 -6.532 -6.542 -0.011 (0)
MgHCO3+ 1.003e-07 9.783e-08 -6.999 -7.010 -0.011 MgHCO3+ 1.003e-07 9.783e-08 -6.999 -7.010 -0.011 (0)
CO3-2 2.628e-08 2.379e-08 -7.580 -7.624 -0.043 CO3-2 2.628e-08 2.379e-08 -7.580 -7.624 -0.043 -3.78
NaHCO3 2.351e-08 2.352e-08 -7.629 -7.629 0.000 NaHCO3 2.351e-08 2.352e-08 -7.629 -7.629 0.000 (0)
CaCO3 2.806e-09 2.807e-09 -8.552 -8.552 0.000 CaCO3 2.806e-09 2.807e-09 -8.552 -8.552 0.000 (0)
MgCO3 5.929e-10 5.930e-10 -9.227 -9.227 0.000 MgCO3 5.929e-10 5.930e-10 -9.227 -9.227 0.000 (0)
NaCO3- 5.935e-11 5.788e-11 -10.227 -10.237 -0.011 NaCO3- 5.935e-11 5.788e-11 -10.227 -10.237 -0.011 (0)
Ca 7.800e-05 Ca 7.800e-05
Ca+2 7.758e-05 7.023e-05 -4.110 -4.153 -0.043 Ca+2 7.758e-05 7.023e-05 -4.110 -4.153 -0.043 -17.83
CaHCO3+ 2.940e-07 2.868e-07 -6.532 -6.542 -0.011 CaHCO3+ 2.940e-07 2.868e-07 -6.532 -6.542 -0.011 (0)
CaSO4 1.244e-07 1.245e-07 -6.905 -6.905 0.000 CaSO4 1.244e-07 1.245e-07 -6.905 -6.905 0.000 (0)
CaCO3 2.806e-09 2.807e-09 -8.552 -8.552 0.000 CaCO3 2.806e-09 2.807e-09 -8.552 -8.552 0.000 (0)
CaOH+ 1.894e-11 1.847e-11 -10.723 -10.733 -0.011 CaOH+ 1.894e-11 1.847e-11 -10.723 -10.733 -0.011 (0)
CaHSO4+ 4.717e-13 4.600e-13 -12.326 -12.337 -0.011 CaHSO4+ 4.717e-13 4.600e-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 Cl- 1.400e-05 1.365e-05 -4.854 -4.865 -0.011 17.82
H(0) 5.636e-24 H(0) 5.636e-24
H2 2.818e-24 2.818e-24 -23.550 -23.550 0.000 H2 2.818e-24 2.818e-24 -23.550 -23.550 0.000 (0)
K 2.800e-05 K 2.800e-05
K+ 2.800e-05 2.730e-05 -4.553 -4.564 -0.011 K+ 2.800e-05 2.730e-05 -4.553 -4.564 -0.011 9.03
KSO4- 1.747e-09 1.704e-09 -8.758 -8.769 -0.011 KSO4- 1.747e-09 1.704e-09 -8.758 -8.769 -0.011 (0)
KOH 1.500e-13 1.500e-13 -12.824 -12.824 0.000 KOH 1.500e-13 1.500e-13 -12.824 -12.824 0.000 (0)
Mg 2.900e-05 Mg 2.900e-05
Mg+2 2.885e-05 2.612e-05 -4.540 -4.583 -0.043 Mg+2 2.885e-05 2.612e-05 -4.540 -4.583 -0.043 -21.15
MgHCO3+ 1.003e-07 9.783e-08 -6.999 -7.010 -0.011 MgHCO3+ 1.003e-07 9.783e-08 -6.999 -7.010 -0.011 (0)
MgSO4 5.438e-08 5.439e-08 -7.265 -7.264 0.000 MgSO4 5.438e-08 5.439e-08 -7.265 -7.264 0.000 (0)
MgCO3 5.929e-10 5.930e-10 -9.227 -9.227 0.000 MgCO3 5.929e-10 5.930e-10 -9.227 -9.227 0.000 (0)
MgOH+ 1.541e-10 1.503e-10 -9.812 -9.823 -0.011 MgOH+ 1.541e-10 1.503e-10 -9.812 -9.823 -0.011 (0)
Na 1.340e-04 Na 1.340e-04
Na+ 1.340e-04 1.307e-04 -3.873 -3.884 -0.011 Na+ 1.340e-04 1.307e-04 -3.873 -3.884 -0.011 -1.21
NaHCO3 2.351e-08 2.352e-08 -7.629 -7.629 0.000 NaHCO3 2.351e-08 2.352e-08 -7.629 -7.629 0.000 (0)
NaSO4- 5.964e-09 5.816e-09 -8.224 -8.235 -0.011 NaSO4- 5.964e-09 5.816e-09 -8.224 -8.235 -0.011 (0)
NaCO3- 5.935e-11 5.788e-11 -10.227 -10.237 -0.011 NaCO3- 5.935e-11 5.788e-11 -10.227 -10.237 -0.011 (0)
NaOH 1.368e-12 1.368e-12 -11.864 -11.864 0.000 NaOH 1.368e-12 1.368e-12 -11.864 -11.864 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 O2 0.000e+00 0.000e+00 -45.280 -45.280 0.000 (0)
S(6) 1.000e-05 S(6) 1.000e-05
SO4-2 9.813e-06 8.882e-06 -5.008 -5.052 -0.043 SO4-2 9.813e-06 8.882e-06 -5.008 -5.052 -0.043 13.98
CaSO4 1.244e-07 1.245e-07 -6.905 -6.905 0.000 CaSO4 1.244e-07 1.245e-07 -6.905 -6.905 0.000 (0)
MgSO4 5.438e-08 5.439e-08 -7.265 -7.264 0.000 MgSO4 5.438e-08 5.439e-08 -7.265 -7.264 0.000 (0)
NaSO4- 5.964e-09 5.816e-09 -8.224 -8.235 -0.011 NaSO4- 5.964e-09 5.816e-09 -8.224 -8.235 -0.011 (0)
KSO4- 1.747e-09 1.704e-09 -8.758 -8.769 -0.011 KSO4- 1.747e-09 1.704e-09 -8.758 -8.769 -0.011 (0)
HSO4- 5.587e-10 5.448e-10 -9.253 -9.264 -0.011 HSO4- 5.587e-10 5.448e-10 -9.253 -9.264 -0.011 (0)
CaHSO4+ 4.717e-13 4.600e-13 -12.326 -12.337 -0.011 CaHSO4+ 4.717e-13 4.600e-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 H4SiO4 2.729e-04 2.730e-04 -3.564 -3.564 0.000 56.00
H3SiO4- 6.541e-08 6.379e-08 -7.184 -7.195 -0.011 H3SiO4- 6.541e-08 6.379e-08 -7.184 -7.195 -0.011 (0)
H2SiO4-2 7.604e-15 6.877e-15 -14.119 -14.163 -0.044 H2SiO4-2 7.604e-15 6.877e-15 -14.119 -14.163 -0.044 (0)
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
@ -210,63 +210,63 @@ Initial solution 2.
----------------------------Distribution of species---------------------------- ----------------------------Distribution of species----------------------------
Log Log Log Log Log Log mole V
Species Molality Activity Molality Activity Gamma Species Molality Activity Molality Activity Gamma cm3/mol
H+ 1.647e-07 1.585e-07 -6.783 -6.800 -0.017 H+ 1.647e-07 1.585e-07 -6.783 -6.800 -0.017 0.00
OH- 6.579e-08 6.316e-08 -7.182 -7.200 -0.018 OH- 6.579e-08 6.316e-08 -7.182 -7.200 -0.018 (0)
H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07
C(4) 1.199e-03 C(4) 1.199e-03
HCO3- 8.907e-04 8.559e-04 -3.050 -3.068 -0.017 HCO3- 8.907e-04 8.559e-04 -3.050 -3.068 -0.017 24.30
CO2 3.049e-04 3.050e-04 -3.516 -3.516 0.000 CO2 3.049e-04 3.050e-04 -3.516 -3.516 0.000 (0)
CaHCO3+ 2.485e-06 2.387e-06 -5.605 -5.622 -0.017 CaHCO3+ 2.485e-06 2.387e-06 -5.605 -5.622 -0.017 (0)
MgHCO3+ 6.235e-07 5.987e-07 -6.205 -6.223 -0.018 MgHCO3+ 6.235e-07 5.987e-07 -6.205 -6.223 -0.018 (0)
CO3-2 2.971e-07 2.533e-07 -6.527 -6.596 -0.069 CO3-2 2.971e-07 2.533e-07 -6.527 -6.596 -0.069 -3.74
NaHCO3 1.196e-07 1.197e-07 -6.922 -6.922 0.000 NaHCO3 1.196e-07 1.197e-07 -6.922 -6.922 0.000 (0)
CaCO3 9.299e-08 9.302e-08 -7.032 -7.031 0.000 CaCO3 9.299e-08 9.302e-08 -7.032 -7.031 0.000 (0)
MgCO3 1.444e-08 1.445e-08 -7.840 -7.840 0.000 MgCO3 1.444e-08 1.445e-08 -7.840 -7.840 0.000 (0)
NaCO3- 1.221e-09 1.173e-09 -8.913 -8.931 -0.018 NaCO3- 1.221e-09 1.173e-09 -8.913 -8.931 -0.018 (0)
Ca 2.600e-04 Ca 2.600e-04
Ca+2 2.566e-04 2.186e-04 -3.591 -3.660 -0.069 Ca+2 2.566e-04 2.186e-04 -3.591 -3.660 -0.069 -17.79
CaHCO3+ 2.485e-06 2.387e-06 -5.605 -5.622 -0.017 CaHCO3+ 2.485e-06 2.387e-06 -5.605 -5.622 -0.017 (0)
CaSO4 8.841e-07 8.843e-07 -6.054 -6.053 0.000 CaSO4 8.841e-07 8.843e-07 -6.054 -6.053 0.000 (0)
CaCO3 9.299e-08 9.302e-08 -7.032 -7.031 0.000 CaCO3 9.299e-08 9.302e-08 -7.032 -7.031 0.000 (0)
CaOH+ 2.384e-10 2.289e-10 -9.623 -9.640 -0.018 CaOH+ 2.384e-10 2.289e-10 -9.623 -9.640 -0.018 (0)
CaHSO4+ 8.551e-13 8.211e-13 -12.068 -12.086 -0.018 CaHSO4+ 8.551e-13 8.211e-13 -12.068 -12.086 -0.018 (0)
Cl 3.000e-05 Cl 3.000e-05
Cl- 3.000e-05 2.880e-05 -4.523 -4.541 -0.018 Cl- 3.000e-05 2.880e-05 -4.523 -4.541 -0.018 17.83
H(0) 3.555e-25 H(0) 3.555e-25
H2 1.778e-25 1.778e-25 -24.750 -24.750 0.000 H2 1.778e-25 1.778e-25 -24.750 -24.750 0.000 (0)
K 4.000e-05 K 4.000e-05
K+ 4.000e-05 3.840e-05 -4.398 -4.416 -0.018 K+ 4.000e-05 3.840e-05 -4.398 -4.416 -0.018 9.04
KSO4- 5.696e-09 5.470e-09 -8.244 -8.262 -0.018 KSO4- 5.696e-09 5.470e-09 -8.244 -8.262 -0.018 (0)
KOH 8.398e-13 8.401e-13 -12.076 -12.076 0.000 KOH 8.398e-13 8.401e-13 -12.076 -12.076 0.000 (0)
Mg 7.101e-05 Mg 7.101e-05
Mg+2 7.008e-05 5.978e-05 -4.154 -4.223 -0.069 Mg+2 7.008e-05 5.978e-05 -4.154 -4.223 -0.069 -21.11
MgHCO3+ 6.235e-07 5.987e-07 -6.205 -6.223 -0.018 MgHCO3+ 6.235e-07 5.987e-07 -6.205 -6.223 -0.018 (0)
MgSO4 2.840e-07 2.841e-07 -6.547 -6.547 0.000 MgSO4 2.840e-07 2.841e-07 -6.547 -6.547 0.000 (0)
MgCO3 1.444e-08 1.445e-08 -7.840 -7.840 0.000 MgCO3 1.444e-08 1.445e-08 -7.840 -7.840 0.000 (0)
MgOH+ 1.426e-09 1.370e-09 -8.846 -8.863 -0.018 MgOH+ 1.426e-09 1.370e-09 -8.846 -8.863 -0.018 (0)
Na 2.590e-04 Na 2.590e-04
Na+ 2.589e-04 2.486e-04 -3.587 -3.604 -0.018 Na+ 2.589e-04 2.486e-04 -3.587 -3.604 -0.018 -1.20
NaHCO3 1.196e-07 1.197e-07 -6.922 -6.922 0.000 NaHCO3 1.196e-07 1.197e-07 -6.922 -6.922 0.000 (0)
NaSO4- 2.631e-08 2.526e-08 -7.580 -7.598 -0.018 NaSO4- 2.631e-08 2.526e-08 -7.580 -7.598 -0.018 (0)
NaCO3- 1.221e-09 1.173e-09 -8.913 -8.931 -0.018 NaCO3- 1.221e-09 1.173e-09 -8.913 -8.931 -0.018 (0)
NaOH 1.036e-11 1.036e-11 -10.985 -10.984 0.000 NaOH 1.036e-11 1.036e-11 -10.985 -10.984 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 O2 0.000e+00 0.000e+00 -42.880 -42.880 0.000 (0)
S(6) 2.500e-05 S(6) 2.500e-05
SO4-2 2.380e-05 2.027e-05 -4.623 -4.693 -0.070 SO4-2 2.380e-05 2.027e-05 -4.623 -4.693 -0.070 14.02
CaSO4 8.841e-07 8.843e-07 -6.054 -6.053 0.000 CaSO4 8.841e-07 8.843e-07 -6.054 -6.053 0.000 (0)
MgSO4 2.840e-07 2.841e-07 -6.547 -6.547 0.000 MgSO4 2.840e-07 2.841e-07 -6.547 -6.547 0.000 (0)
NaSO4- 2.631e-08 2.526e-08 -7.580 -7.598 -0.018 NaSO4- 2.631e-08 2.526e-08 -7.580 -7.598 -0.018 (0)
KSO4- 5.696e-09 5.470e-09 -8.244 -8.262 -0.018 KSO4- 5.696e-09 5.470e-09 -8.244 -8.262 -0.018 (0)
HSO4- 3.253e-10 3.124e-10 -9.488 -9.505 -0.018 HSO4- 3.253e-10 3.124e-10 -9.488 -9.505 -0.018 (0)
CaHSO4+ 8.551e-13 8.211e-13 -12.068 -12.086 -0.018 CaHSO4+ 8.551e-13 8.211e-13 -12.068 -12.086 -0.018 (0)
Si 4.100e-04 Si 4.100e-04
H4SiO4 4.096e-04 4.098e-04 -3.388 -3.387 0.000 H4SiO4 4.096e-04 4.098e-04 -3.388 -3.387 0.000 56.00
H3SiO4- 3.970e-07 3.812e-07 -6.401 -6.419 -0.018 H3SiO4- 3.970e-07 3.812e-07 -6.401 -6.419 -0.018 (0)
H2SiO4-2 1.924e-13 1.636e-13 -12.716 -12.786 -0.070 H2SiO4-2 1.924e-13 1.636e-13 -12.716 -12.786 -0.070 (0)
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------

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@ -112,35 +112,35 @@ Initial solution 1. Black Sea water
MacInnes MacInnes MacInnes MacInnes
MacInnes Log Log Log MacInnes Log Log Log
Species Molality Activity Molality Activity Gamma Species Molality Activity Molality Activity Gamma cm3/mol
OH- 1.658e-06 9.949e-07 -5.780 -6.002 -0.222 OH- 1.658e-06 9.949e-07 -5.780 -6.002 -0.222 (0)
H+ 1.290e-08 1.000e-08 -7.889 -8.000 -0.111 H+ 1.290e-08 1.000e-08 -7.889 -8.000 -0.111 0.00
H2O 5.551e+01 9.903e-01 1.744 -0.004 0.000 H2O 5.551e+01 9.903e-01 1.744 -0.004 0.000 18.07
Br 4.401e-04 Br 4.401e-04
Br- 4.401e-04 3.004e-04 -3.356 -3.522 -0.166 Br- 4.401e-04 3.004e-04 -3.356 -3.522 -0.166 24.71
C(4) 8.426e-04 C(4) 8.426e-04
HCO3- 7.975e-04 4.902e-04 -3.098 -3.310 -0.211 HCO3- 7.975e-04 4.902e-04 -3.098 -3.310 -0.211 24.29
CO3-2 1.598e-05 2.244e-06 -4.796 -5.649 -0.853 CO3-2 1.598e-05 2.244e-06 -4.796 -5.649 -0.853 -3.78
MgCO3 1.429e-05 1.429e-05 -4.845 -4.845 0.000 MgCO3 1.429e-05 1.429e-05 -4.845 -4.845 0.000 (0)
CO2 1.010e-05 1.077e-05 -4.996 -4.968 0.028 CO2 1.010e-05 1.077e-05 -4.996 -4.968 0.028 (0)
CaCO3 4.680e-06 4.680e-06 -5.330 -5.330 0.000 CaCO3 4.680e-06 4.680e-06 -5.330 -5.330 0.000 (0)
Ca 5.841e-03 Ca 5.841e-03
Ca+2 5.837e-03 1.472e-03 -2.234 -2.832 -0.598 Ca+2 5.837e-03 1.472e-03 -2.234 -2.832 -0.598 -17.83
CaCO3 4.680e-06 4.680e-06 -5.330 -5.330 0.000 CaCO3 4.680e-06 4.680e-06 -5.330 -5.330 0.000 (0)
Cl 2.930e-01 Cl 2.930e-01
Cl- 2.930e-01 1.960e-01 -0.533 -0.708 -0.175 Cl- 2.930e-01 1.960e-01 -0.533 -0.708 -0.175 17.82
K 4.960e-03 K 4.960e-03
K+ 4.960e-03 3.418e-03 -2.305 -2.466 -0.162 K+ 4.960e-03 3.418e-03 -2.305 -2.466 -0.162 9.03
Mg 2.807e-02 Mg 2.807e-02
Mg+2 2.805e-02 7.511e-03 -1.552 -2.124 -0.572 Mg+2 2.805e-02 7.511e-03 -1.552 -2.124 -0.572 -21.15
MgCO3 1.429e-05 1.429e-05 -4.845 -4.845 0.000 MgCO3 1.429e-05 1.429e-05 -4.845 -4.845 0.000 (0)
MgOH+ 1.244e-06 1.155e-06 -5.905 -5.938 -0.032 MgOH+ 1.244e-06 1.155e-06 -5.905 -5.938 -0.032 (0)
Na 2.544e-01 Na 2.544e-01
Na+ 2.544e-01 1.836e-01 -0.595 -0.736 -0.142 Na+ 2.544e-01 1.836e-01 -0.595 -0.736 -0.142 -1.21
S(6) 1.527e-02 S(6) 1.527e-02
SO4-2 1.527e-02 2.118e-03 -1.816 -2.674 -0.858 SO4-2 1.527e-02 2.118e-03 -1.816 -2.674 -0.858 13.98
HSO4- 2.952e-09 2.017e-09 -8.530 -8.695 -0.165 HSO4- 2.952e-09 2.017e-09 -8.530 -8.695 -0.165 (0)
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
@ -226,31 +226,31 @@ Initial solution 2. Composition during halite precipitation
MacInnes MacInnes MacInnes MacInnes
MacInnes Log Log Log MacInnes Log Log Log
Species Molality Activity Molality Activity Gamma Species Molality Activity Molality Activity Gamma cm3/mol
H+ 5.602e-07 1.000e-05 -6.252 -5.000 1.252 H+ 5.602e-07 1.000e-05 -6.252 -5.000 1.252 0.00
OH- 1.202e-08 6.837e-10 -7.920 -9.165 -1.245 OH- 1.202e-08 6.837e-10 -7.920 -9.165 -1.245 (0)
H2O 5.551e+01 6.806e-01 1.744 -0.167 0.000 H2O 5.551e+01 6.806e-01 1.744 -0.167 0.000 18.07
Br 3.785e-02 Br 3.785e-02
Br- 3.785e-02 4.950e-02 -1.422 -1.305 0.116 Br- 3.785e-02 4.950e-02 -1.422 -1.305 0.116 25.00
C(4) 6.839e-06 C(4) 6.839e-06
HCO3- 4.519e-06 3.369e-07 -5.345 -6.473 -1.128 HCO3- 4.519e-06 3.369e-07 -5.345 -6.473 -1.128 24.58
CO2 2.248e-06 1.077e-05 -5.648 -4.968 0.680 CO2 2.248e-06 1.077e-05 -5.648 -4.968 0.680 (0)
MgCO3 6.655e-08 6.655e-08 -7.177 -7.177 0.000 MgCO3 6.655e-08 6.655e-08 -7.177 -7.177 0.000 (0)
CO3-2 5.827e-09 1.543e-12 -8.235 -11.812 -3.577 CO3-2 5.827e-09 1.543e-12 -8.235 -11.812 -3.577 -2.64
Cl 6.004e+00 Cl 6.004e+00
Cl- 6.004e+00 4.512e+00 0.778 0.654 -0.124 Cl- 6.004e+00 4.512e+00 0.778 0.654 -0.124 18.11
K 4.578e-01 K 4.578e-01
K+ 4.578e-01 4.785e-01 -0.339 -0.320 0.019 K+ 4.578e-01 4.785e-01 -0.339 -0.320 0.019 9.32
Mg 2.354e+00 Mg 2.354e+00
Mg+2 2.354e+00 5.091e+01 0.372 1.707 1.335 Mg+2 2.354e+00 5.091e+01 0.372 1.707 1.335 -20.01
MgOH+ 6.271e-06 5.379e-06 -5.203 -5.269 -0.067 MgOH+ 6.271e-06 5.379e-06 -5.203 -5.269 -0.067 (0)
MgCO3 6.655e-08 6.655e-08 -7.177 -7.177 0.000 MgCO3 6.655e-08 6.655e-08 -7.177 -7.177 0.000 (0)
Na 2.720e+00 Na 2.720e+00
Na+ 2.720e+00 8.671e+00 0.435 0.938 0.503 Na+ 2.720e+00 8.671e+00 0.435 0.938 0.503 -0.92
S(6) 8.986e-01 S(6) 8.986e-01
SO4-2 8.986e-01 2.260e-03 -0.046 -2.646 -2.599 SO4-2 8.986e-01 2.260e-03 -0.046 -2.646 -2.599 15.12
HSO4- 2.669e-06 2.153e-06 -5.574 -5.667 -0.093 HSO4- 2.669e-06 2.153e-06 -5.574 -5.667 -0.093 (0)
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------

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@ -133,72 +133,72 @@ Initial solution 1. Recharge number 3
----------------------------Distribution of species---------------------------- ----------------------------Distribution of species----------------------------
Log Log Log Log Log Log mole V
Species Molality Activity Molality Activity Gamma Species Molality Activity Molality Activity Gamma cm3/mol
OH- 1.120e-07 1.029e-07 -6.951 -6.988 -0.037 OH- 1.120e-07 1.029e-07 -6.951 -6.988 -0.037 (0)
H+ 3.038e-08 2.818e-08 -7.517 -7.550 -0.033 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 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 3.623e-03 -2.406 -2.441 -0.035 HCO3- 3.929e-03 3.623e-03 -2.406 -2.441 -0.035 22.68
CO2 2.970e-04 2.974e-04 -3.527 -3.527 0.001 CO2 2.970e-04 2.974e-04 -3.527 -3.527 0.001 (0)
MgHCO3+ 3.098e-05 2.850e-05 -4.509 -4.545 -0.036 MgHCO3+ 3.098e-05 2.850e-05 -4.509 -4.545 -0.036 (0)
CaHCO3+ 3.027e-05 2.792e-05 -4.519 -4.554 -0.035 CaHCO3+ 3.027e-05 2.792e-05 -4.519 -4.554 -0.035 (0)
CO3-2 5.765e-06 4.168e-06 -5.239 -5.380 -0.141 CO3-2 5.765e-06 4.168e-06 -5.239 -5.380 -0.141 -6.17
CaCO3 4.727e-06 4.734e-06 -5.325 -5.325 0.001 CaCO3 4.727e-06 4.734e-06 -5.325 -5.325 0.001 (0)
MgCO3 2.208e-06 2.211e-06 -5.656 -5.655 0.001 MgCO3 2.208e-06 2.211e-06 -5.656 -5.655 0.001 (0)
FeHCO3+ 2.086e-07 1.919e-07 -6.681 -6.717 -0.036 FeHCO3+ 2.086e-07 1.919e-07 -6.681 -6.717 -0.036 (0)
FeCO3 5.289e-08 5.297e-08 -7.277 -7.276 0.001 FeCO3 5.289e-08 5.297e-08 -7.277 -7.276 0.001 (0)
NaHCO3 3.737e-08 3.742e-08 -7.428 -7.427 0.001 NaHCO3 3.737e-08 3.742e-08 -7.428 -7.427 0.001 (0)
NaCO3- 6.948e-10 6.391e-10 -9.158 -9.194 -0.036 NaCO3- 6.948e-10 6.391e-10 -9.158 -9.194 -0.036 (0)
Ca 1.200e-03 Ca 1.200e-03
Ca+2 1.151e-03 8.317e-04 -2.939 -3.080 -0.141 Ca+2 1.151e-03 8.317e-04 -2.939 -3.080 -0.141 -18.77
CaHCO3+ 3.027e-05 2.792e-05 -4.519 -4.554 -0.035 CaHCO3+ 3.027e-05 2.792e-05 -4.519 -4.554 -0.035 (0)
CaSO4 1.393e-05 1.395e-05 -4.856 -4.855 0.001 CaSO4 1.393e-05 1.395e-05 -4.856 -4.855 0.001 (0)
CaCO3 4.727e-06 4.734e-06 -5.325 -5.325 0.001 CaCO3 4.727e-06 4.734e-06 -5.325 -5.325 0.001 (0)
CaOH+ 5.323e-09 4.897e-09 -8.274 -8.310 -0.036 CaOH+ 5.323e-09 4.897e-09 -8.274 -8.310 -0.036 (0)
CaHSO4+ 2.136e-12 1.965e-12 -11.670 -11.707 -0.036 CaHSO4+ 2.136e-12 1.965e-12 -11.670 -11.707 -0.036 (0)
Cl 2.000e-05 Cl 2.000e-05
Cl- 2.000e-05 1.838e-05 -4.699 -4.736 -0.037 Cl- 2.000e-05 1.838e-05 -4.699 -4.736 -0.037 17.13
FeCl+ 1.461e-11 1.344e-11 -10.835 -10.872 -0.036 FeCl+ 1.461e-11 1.344e-11 -10.835 -10.872 -0.036 (0)
Fe(2) 1.000e-06 Fe(2) 1.000e-06
Fe+2 7.296e-07 5.298e-07 -6.137 -6.276 -0.139 Fe+2 7.296e-07 5.298e-07 -6.137 -6.276 -0.139 (0)
FeHCO3+ 2.086e-07 1.919e-07 -6.681 -6.717 -0.036 FeHCO3+ 2.086e-07 1.919e-07 -6.681 -6.717 -0.036 (0)
FeCO3 5.289e-08 5.297e-08 -7.277 -7.276 0.001 FeCO3 5.289e-08 5.297e-08 -7.277 -7.276 0.001 (0)
FeSO4 6.861e-09 6.871e-09 -8.164 -8.163 0.001 FeSO4 6.861e-09 6.871e-09 -8.164 -8.163 0.001 (0)
FeOH+ 1.969e-09 1.811e-09 -8.706 -8.742 -0.036 FeOH+ 1.969e-09 1.811e-09 -8.706 -8.742 -0.036 (0)
FeCl+ 1.461e-11 1.344e-11 -10.835 -10.872 -0.036 FeCl+ 1.461e-11 1.344e-11 -10.835 -10.872 -0.036 (0)
FeHSO4+ 1.361e-15 1.252e-15 -14.866 -14.903 -0.036 FeHSO4+ 1.361e-15 1.252e-15 -14.866 -14.903 -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 H2 6.579e-19 6.588e-19 -18.182 -18.181 0.001 (0)
K 2.000e-05 K 2.000e-05
K+ 1.999e-05 1.837e-05 -4.699 -4.736 -0.037 K+ 1.999e-05 1.837e-05 -4.699 -4.736 -0.037 8.07
KSO4- 1.037e-08 9.538e-09 -7.984 -8.021 -0.036 KSO4- 1.037e-08 9.538e-09 -7.984 -8.021 -0.036 (0)
KOH 2.256e-12 2.260e-12 -11.647 -11.646 0.001 KOH 2.256e-12 2.260e-12 -11.647 -11.646 0.001 (0)
Mg 1.010e-03 Mg 1.010e-03
Mg+2 9.662e-04 7.011e-04 -3.015 -3.154 -0.139 Mg+2 9.662e-04 7.011e-04 -3.015 -3.154 -0.139 -21.62
MgHCO3+ 3.098e-05 2.850e-05 -4.509 -4.545 -0.036 MgHCO3+ 3.098e-05 2.850e-05 -4.509 -4.545 -0.036 (0)
MgSO4 1.063e-05 1.064e-05 -4.974 -4.973 0.001 MgSO4 1.063e-05 1.064e-05 -4.974 -4.973 0.001 (0)
MgCO3 2.208e-06 2.211e-06 -5.656 -5.655 0.001 MgCO3 2.208e-06 2.211e-06 -5.656 -5.655 0.001 (0)
MgOH+ 2.335e-08 2.148e-08 -7.632 -7.668 -0.036 MgOH+ 2.335e-08 2.148e-08 -7.632 -7.668 -0.036 (0)
Na 2.000e-05 Na 2.000e-05
Na+ 1.995e-05 1.837e-05 -4.700 -4.736 -0.036 Na+ 1.995e-05 1.837e-05 -4.700 -4.736 -0.036 -2.45
NaHCO3 3.737e-08 3.742e-08 -7.428 -7.427 0.001 NaHCO3 3.737e-08 3.742e-08 -7.428 -7.427 0.001 (0)
NaSO4- 8.826e-09 8.119e-09 -8.054 -8.090 -0.036 NaSO4- 8.826e-09 8.119e-09 -8.054 -8.090 -0.036 (0)
NaCO3- 6.948e-10 6.391e-10 -9.158 -9.194 -0.036 NaCO3- 6.948e-10 6.391e-10 -9.158 -9.194 -0.036 (0)
NaOH 4.299e-12 4.306e-12 -11.367 -11.366 0.001 NaOH 4.299e-12 4.306e-12 -11.367 -11.366 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 O2 0.000e+00 0.000e+00 -61.151 -61.151 0.001 (0)
S(6) 1.600e-04 S(6) 1.600e-04
SO4-2 1.354e-04 9.754e-05 -3.868 -4.011 -0.142 SO4-2 1.354e-04 9.754e-05 -3.868 -4.011 -0.142 11.70
CaSO4 1.393e-05 1.395e-05 -4.856 -4.855 0.001 CaSO4 1.393e-05 1.395e-05 -4.856 -4.855 0.001 (0)
MgSO4 1.063e-05 1.064e-05 -4.974 -4.973 0.001 MgSO4 1.063e-05 1.064e-05 -4.974 -4.973 0.001 (0)
KSO4- 1.037e-08 9.538e-09 -7.984 -8.021 -0.036 KSO4- 1.037e-08 9.538e-09 -7.984 -8.021 -0.036 (0)
NaSO4- 8.826e-09 8.119e-09 -8.054 -8.090 -0.036 NaSO4- 8.826e-09 8.119e-09 -8.054 -8.090 -0.036 (0)
FeSO4 6.861e-09 6.871e-09 -8.164 -8.163 0.001 FeSO4 6.861e-09 6.871e-09 -8.164 -8.163 0.001 (0)
HSO4- 2.136e-10 1.965e-10 -9.670 -9.707 -0.036 HSO4- 2.136e-10 1.965e-10 -9.670 -9.707 -0.036 (0)
CaHSO4+ 2.136e-12 1.965e-12 -11.670 -11.707 -0.036 CaHSO4+ 2.136e-12 1.965e-12 -11.670 -11.707 -0.036 (0)
FeHSO4+ 1.361e-15 1.252e-15 -14.866 -14.903 -0.036 FeHSO4+ 1.361e-15 1.252e-15 -14.866 -14.903 -0.036 (0)
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
@ -262,80 +262,80 @@ Initial solution 2. Mysse
----------------------------Distribution of species---------------------------- ----------------------------Distribution of species----------------------------
Log Log Log Log Log Log mole V
Species Molality Activity Molality Activity Gamma Species Molality Activity Molality Activity Gamma cm3/mol
OH- 5.726e-07 4.419e-07 -6.242 -6.355 -0.112 OH- 5.726e-07 4.419e-07 -6.242 -6.355 -0.112 (0)
H+ 2.963e-07 2.455e-07 -6.528 -6.610 -0.082 H+ 2.963e-07 2.455e-07 -6.528 -6.610 -0.082 0.00
H2O 5.551e+01 9.985e-01 1.744 -0.001 0.000 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- 4.711e-03 3.746e-03 -2.327 -2.426 -0.100 HCO3- 4.711e-03 3.746e-03 -2.327 -2.426 -0.100 23.86
CO2 1.784e-03 1.814e-03 -2.749 -2.741 0.007 CO2 1.784e-03 1.814e-03 -2.749 -2.741 0.007 (0)
CaHCO3+ 2.347e-04 1.867e-04 -3.629 -3.729 -0.100 CaHCO3+ 2.347e-04 1.867e-04 -3.629 -3.729 -0.100 (0)
MgHCO3+ 6.578e-05 5.169e-05 -4.182 -4.287 -0.105 MgHCO3+ 6.578e-05 5.169e-05 -4.182 -4.287 -0.105 (0)
NaHCO3 5.046e-05 5.131e-05 -4.297 -4.290 0.007 NaHCO3 5.046e-05 5.131e-05 -4.297 -4.290 0.007 (0)
CaCO3 1.560e-05 1.586e-05 -4.807 -4.800 0.007 CaCO3 1.560e-05 1.586e-05 -4.807 -4.800 0.007 (0)
NaCO3- 3.512e-06 2.760e-06 -5.454 -5.559 -0.105 NaCO3- 3.512e-06 2.760e-06 -5.454 -5.559 -0.105 (0)
CO3-2 2.780e-06 1.112e-06 -5.556 -5.954 -0.398 CO3-2 2.780e-06 1.112e-06 -5.556 -5.954 -0.398 -5.76
MgCO3 1.642e-06 1.670e-06 -5.784 -5.777 0.007 MgCO3 1.642e-06 1.670e-06 -5.784 -5.777 0.007 (0)
FeHCO3+ 1.177e-08 9.248e-09 -7.929 -8.034 -0.105 FeHCO3+ 1.177e-08 9.248e-09 -7.929 -8.034 -0.105 (0)
FeCO3 6.474e-10 6.583e-10 -9.189 -9.182 0.007 FeCO3 6.474e-10 6.583e-10 -9.189 -9.182 0.007 (0)
Ca 1.128e-02 Ca 1.128e-02
Ca+2 7.217e-03 2.899e-03 -2.142 -2.538 -0.396 Ca+2 7.217e-03 2.899e-03 -2.142 -2.538 -0.396 -17.80
CaSO4 3.813e-03 3.877e-03 -2.419 -2.411 0.007 CaSO4 3.813e-03 3.877e-03 -2.419 -2.411 0.007 (0)
CaHCO3+ 2.347e-04 1.867e-04 -3.629 -3.729 -0.100 CaHCO3+ 2.347e-04 1.867e-04 -3.629 -3.729 -0.100 (0)
CaCO3 1.560e-05 1.586e-05 -4.807 -4.800 0.007 CaCO3 1.560e-05 1.586e-05 -4.807 -4.800 0.007 (0)
CaHSO4+ 1.322e-08 1.039e-08 -7.879 -7.983 -0.105 CaHSO4+ 1.322e-08 1.039e-08 -7.879 -7.983 -0.105 (0)
CaOH+ 2.491e-09 1.957e-09 -8.604 -8.708 -0.105 CaOH+ 2.491e-09 1.957e-09 -8.604 -8.708 -0.105 (0)
Cl 1.785e-02 Cl 1.785e-02
Cl- 1.785e-02 1.381e-02 -1.748 -1.860 -0.111 Cl- 1.785e-02 1.381e-02 -1.748 -1.860 -0.111 17.05
FeCl+ 5.988e-10 4.706e-10 -9.223 -9.327 -0.105 FeCl+ 5.988e-10 4.706e-10 -9.223 -9.327 -0.105 (0)
Fe(2) 4.000e-07 Fe(2) 4.000e-07
Fe(HS)2 2.830e-07 2.878e-07 -6.548 -6.541 0.007 Fe(HS)2 2.830e-07 2.878e-07 -6.548 -6.541 0.007 (0)
Fe+2 5.978e-08 2.468e-08 -7.223 -7.608 -0.384 Fe+2 5.978e-08 2.468e-08 -7.223 -7.608 -0.384 (0)
FeSO4 3.911e-08 3.977e-08 -7.408 -7.400 0.007 FeSO4 3.911e-08 3.977e-08 -7.408 -7.400 0.007 (0)
FeHCO3+ 1.177e-08 9.248e-09 -7.929 -8.034 -0.105 FeHCO3+ 1.177e-08 9.248e-09 -7.929 -8.034 -0.105 (0)
Fe(HS)3- 4.561e-09 3.585e-09 -8.341 -8.446 -0.105 Fe(HS)3- 4.561e-09 3.585e-09 -8.341 -8.446 -0.105 (0)
FeCO3 6.474e-10 6.583e-10 -9.189 -9.182 0.007 FeCO3 6.474e-10 6.583e-10 -9.189 -9.182 0.007 (0)
FeCl+ 5.988e-10 4.706e-10 -9.223 -9.327 -0.105 FeCl+ 5.988e-10 4.706e-10 -9.223 -9.327 -0.105 (0)
FeOH+ 5.014e-10 3.940e-10 -9.300 -9.404 -0.105 FeOH+ 5.014e-10 3.940e-10 -9.300 -9.404 -0.105 (0)
FeHSO4+ 1.125e-13 8.843e-14 -12.949 -13.053 -0.105 FeHSO4+ 1.125e-13 8.843e-14 -12.949 -13.053 -0.105 (0)
H(0) 1.190e-09 H(0) 1.190e-09
H2 5.948e-10 6.048e-10 -9.226 -9.218 0.007 H2 5.948e-10 6.048e-10 -9.226 -9.218 0.007 (0)
K 2.540e-03 K 2.540e-03
K+ 2.394e-03 1.852e-03 -2.621 -2.732 -0.111 K+ 2.394e-03 1.852e-03 -2.621 -2.732 -0.111 10.01
KSO4- 1.459e-04 1.146e-04 -3.836 -3.941 -0.105 KSO4- 1.459e-04 1.146e-04 -3.836 -3.941 -0.105 (0)
KOH 2.569e-11 2.613e-11 -10.590 -10.583 0.007 KOH 2.569e-11 2.613e-11 -10.590 -10.583 0.007 (0)
Mg 4.540e-03 Mg 4.540e-03
MgSO4 2.360e-03 2.399e-03 -2.627 -2.620 0.007 MgSO4 2.360e-03 2.399e-03 -2.627 -2.620 0.007 (0)
Mg+2 2.113e-03 8.783e-04 -2.675 -3.056 -0.381 Mg+2 2.113e-03 8.783e-04 -2.675 -3.056 -0.381 -22.99
MgHCO3+ 6.578e-05 5.169e-05 -4.182 -4.287 -0.105 MgHCO3+ 6.578e-05 5.169e-05 -4.182 -4.287 -0.105 (0)
MgCO3 1.642e-06 1.670e-06 -5.784 -5.777 0.007 MgCO3 1.642e-06 1.670e-06 -5.784 -5.777 0.007 (0)
MgOH+ 3.463e-07 2.721e-07 -6.461 -6.565 -0.105 MgOH+ 3.463e-07 2.721e-07 -6.461 -6.565 -0.105 (0)
Na 3.189e-02 Na 3.189e-02
Na+ 3.090e-02 2.435e-02 -1.510 -1.613 -0.103 Na+ 3.090e-02 2.435e-02 -1.510 -1.613 -0.103 0.42
NaSO4- 9.408e-04 7.393e-04 -3.027 -3.131 -0.105 NaSO4- 9.408e-04 7.393e-04 -3.027 -3.131 -0.105 (0)
NaHCO3 5.046e-05 5.131e-05 -4.297 -4.290 0.007 NaHCO3 5.046e-05 5.131e-05 -4.297 -4.290 0.007 (0)
NaCO3- 3.512e-06 2.760e-06 -5.454 -5.559 -0.105 NaCO3- 3.512e-06 2.760e-06 -5.454 -5.559 -0.105 (0)
NaOH 6.437e-10 6.545e-10 -9.191 -9.184 0.007 NaOH 6.437e-10 6.545e-10 -9.191 -9.184 0.007 (0)
O(0) 0.000e+00 O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -63.075 -63.067 0.007 O2 0.000e+00 0.000e+00 -63.075 -63.067 0.007 (0)
S(-2) 2.600e-04 S(-2) 2.600e-04
HS- 1.482e-04 1.144e-04 -3.829 -3.942 -0.112 HS- 1.482e-04 1.144e-04 -3.829 -3.942 -0.112 (0)
H2S 1.112e-04 1.131e-04 -3.954 -3.947 0.007 H2S 1.112e-04 1.131e-04 -3.954 -3.947 0.007 (0)
Fe(HS)2 2.830e-07 2.878e-07 -6.548 -6.541 0.007 Fe(HS)2 2.830e-07 2.878e-07 -6.548 -6.541 0.007 (0)
Fe(HS)3- 4.561e-09 3.585e-09 -8.341 -8.446 -0.105 Fe(HS)3- 4.561e-09 3.585e-09 -8.341 -8.446 -0.105 (0)
S-2 1.449e-09 5.662e-10 -8.839 -9.247 -0.408 S-2 1.449e-09 5.662e-10 -8.839 -9.247 -0.408 (0)
S(6) 1.986e-02 S(6) 1.986e-02
SO4-2 1.260e-02 4.892e-03 -1.900 -2.311 -0.411 SO4-2 1.260e-02 4.892e-03 -1.900 -2.311 -0.411 12.25
CaSO4 3.813e-03 3.877e-03 -2.419 -2.411 0.007 CaSO4 3.813e-03 3.877e-03 -2.419 -2.411 0.007 (0)
MgSO4 2.360e-03 2.399e-03 -2.627 -2.620 0.007 MgSO4 2.360e-03 2.399e-03 -2.627 -2.620 0.007 (0)
NaSO4- 9.408e-04 7.393e-04 -3.027 -3.131 -0.105 NaSO4- 9.408e-04 7.393e-04 -3.027 -3.131 -0.105 (0)
KSO4- 1.459e-04 1.146e-04 -3.836 -3.941 -0.105 KSO4- 1.459e-04 1.146e-04 -3.836 -3.941 -0.105 (0)
HSO4- 3.792e-07 2.980e-07 -6.421 -6.526 -0.105 HSO4- 3.792e-07 2.980e-07 -6.421 -6.526 -0.105 (0)
FeSO4 3.911e-08 3.977e-08 -7.408 -7.400 0.007 FeSO4 3.911e-08 3.977e-08 -7.408 -7.400 0.007 (0)
CaHSO4+ 1.322e-08 1.039e-08 -7.879 -7.983 -0.105 CaHSO4+ 1.322e-08 1.039e-08 -7.879 -7.983 -0.105 (0)
FeHSO4+ 1.125e-13 8.843e-14 -12.949 -13.053 -0.105 FeHSO4+ 1.125e-13 8.843e-14 -12.949 -13.053 -0.105 (0)
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------

2364
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@ -93,34 +93,34 @@ Initial solution 1.
----------------------------Distribution of species---------------------------- ----------------------------Distribution of species----------------------------
Log Log Log Log Log Log mole V
Species Molality Activity Molality Activity Gamma Species Molality Activity Molality Activity Gamma cm3/mol
OH- 1.673e-06 1.586e-06 -5.776 -5.800 -0.023 OH- 1.673e-06 1.586e-06 -5.776 -5.800 -0.023 (0)
H3O+ 6.628e-09 6.310e-09 -8.179 -8.200 -0.021 H3O+ 6.628e-09 6.310e-09 -8.179 -8.200 -0.021 (0)
H2O 5.551e+01 9.999e-01 1.744 -0.000 0.000 H2O 5.551e+01 9.999e-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 -77.792 -77.792 0.000 CH4 0.000e+00 0.000e+00 -77.792 -77.792 0.000 (0)
C(4) 2.000e-03 C(4) 2.000e-03
HCO3- 1.944e-03 1.844e-03 -2.711 -2.734 -0.023 HCO3- 1.944e-03 1.844e-03 -2.711 -2.734 -0.023 (0)
CO2 2.615e-05 2.616e-05 -4.583 -4.582 0.000 CO2 2.615e-05 2.616e-05 -4.583 -4.582 0.000 (0)
CO3-2 1.693e-05 1.371e-05 -4.771 -4.863 -0.092 CO3-2 1.693e-05 1.371e-05 -4.771 -4.863 -0.092 (0)
CaHCO3+ 5.989e-06 5.687e-06 -5.223 -5.245 -0.022 CaHCO3+ 5.989e-06 5.687e-06 -5.223 -5.245 -0.022 (0)
CaCO3 5.562e-06 5.565e-06 -5.255 -5.255 0.000 CaCO3 5.562e-06 5.565e-06 -5.255 -5.255 0.000 (0)
NaHCO3 1.356e-06 1.356e-06 -5.868 -5.868 0.000 NaHCO3 1.356e-06 1.356e-06 -5.868 -5.868 0.000 (0)
NaCO3- 3.520e-07 3.339e-07 -6.453 -6.476 -0.023 NaCO3- 3.520e-07 3.339e-07 -6.453 -6.476 -0.023 (0)
Ca 3.089e-04 Ca 3.089e-04
Ca+2 2.974e-04 2.417e-04 -3.527 -3.617 -0.090 Ca+2 2.974e-04 2.417e-04 -3.527 -3.617 -0.090 (0)
CaHCO3+ 5.989e-06 5.687e-06 -5.223 -5.245 -0.022 CaHCO3+ 5.989e-06 5.687e-06 -5.223 -5.245 -0.022 (0)
CaCO3 5.562e-06 5.565e-06 -5.255 -5.255 0.000 CaCO3 5.562e-06 5.565e-06 -5.255 -5.255 0.000 (0)
H(0) 5.634e-28 H(0) 5.634e-28
H2 2.817e-28 2.819e-28 -27.550 -27.550 0.000 H2 2.817e-28 2.819e-28 -27.550 -27.550 0.000 (0)
Na 1.380e-03 Na 1.380e-03
Na+ 1.379e-03 1.308e-03 -2.861 -2.883 -0.023 Na+ 1.379e-03 1.308e-03 -2.861 -2.883 -0.023 (0)
NaHCO3 1.356e-06 1.356e-06 -5.868 -5.868 0.000 NaHCO3 1.356e-06 1.356e-06 -5.868 -5.868 0.000 (0)
NaCO3- 3.520e-07 3.339e-07 -6.453 -6.476 -0.023 NaCO3- 3.520e-07 3.339e-07 -6.453 -6.476 -0.023 (0)
O(0) 1.049e-37 O(0) 1.049e-37
O2 5.243e-38 5.246e-38 -37.280 -37.280 0.000 O2 5.243e-38 5.246e-38 -37.280 -37.280 0.000 (0)
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
@ -289,113 +289,113 @@ Alpha 13C Calcite/CO2(aq) 1.0107 10.641 10.641
----------------------------Distribution of species---------------------------- ----------------------------Distribution of species----------------------------
Log Log Log Log Log Log mole V
Species Molality Activity Molality Activity Gamma Species Molality Activity Molality Activity Gamma cm3/mol
OH- 1.661e-06 1.575e-06 -5.780 -5.803 -0.023 OH- 1.661e-06 1.575e-06 -5.780 -5.803 -0.023 (0)
H3O+ 6.648e-09 6.328e-09 -8.177 -8.199 -0.021 H3O+ 6.648e-09 6.328e-09 -8.177 -8.199 -0.021 (0)
H2O 5.556e+01 9.977e-01 1.745 -0.001 0.000 H2O 5.556e+01 9.977e-01 1.745 -0.001 0.000 18.07
C(-4) 3.053e-24 C(-4) 3.053e-24
CH4 3.051e-24 3.053e-24 -23.515 -23.515 0.000 CH4 3.051e-24 3.053e-24 -23.515 -23.515 0.000 (0)
CH3D 1.901e-27 1.902e-27 -26.721 -26.721 0.000 CH3D 1.901e-27 1.902e-27 -26.721 -26.721 0.000 (0)
C(4) 1.984e-03 C(4) 1.984e-03
HCO3- 1.916e-03 1.818e-03 -2.718 -2.741 -0.023 HCO3- 1.916e-03 1.818e-03 -2.718 -2.741 -0.023 (0)
CO2 2.597e-05 2.598e-05 -4.586 -4.585 0.000 CO2 2.597e-05 2.598e-05 -4.586 -4.585 0.000 (0)
CO3-2 1.661e-05 1.344e-05 -4.780 -4.872 -0.092 CO3-2 1.661e-05 1.344e-05 -4.780 -4.872 -0.092 (0)
CaHCO3+ 5.916e-06 5.618e-06 -5.228 -5.250 -0.023 CaHCO3+ 5.916e-06 5.618e-06 -5.228 -5.250 -0.023 (0)
CaCO3 5.466e-06 5.469e-06 -5.262 -5.262 0.000 CaCO3 5.466e-06 5.469e-06 -5.262 -5.262 0.000 (0)
HCO2[18O]- 3.842e-06 3.645e-06 -5.415 -5.438 -0.023 HCO2[18O]- 3.842e-06 3.645e-06 -5.415 -5.438 -0.023 (0)
HCO[18O]O- 3.842e-06 3.645e-06 -5.415 -5.438 -0.023 HCO[18O]O- 3.842e-06 3.645e-06 -5.415 -5.438 -0.023 (0)
HC[18O]O2- 3.842e-06 3.645e-06 -5.415 -5.438 -0.023 HC[18O]O2- 3.842e-06 3.645e-06 -5.415 -5.438 -0.023 (0)
NaHCO3 1.341e-06 1.341e-06 -5.873 -5.872 0.000 NaHCO3 1.341e-06 1.341e-06 -5.873 -5.872 0.000 (0)
NaCO3- 3.463e-07 3.285e-07 -6.460 -6.483 -0.023 NaCO3- 3.463e-07 3.285e-07 -6.460 -6.483 -0.023 (0)
DCO3- 2.985e-07 2.831e-07 -6.525 -6.548 -0.023 DCO3- 2.985e-07 2.831e-07 -6.525 -6.548 -0.023 (0)
CO[18O] 1.085e-07 1.086e-07 -6.964 -6.964 0.000 CO[18O] 1.085e-07 1.086e-07 -6.964 -6.964 0.000 (0)
CO2[18O]-2 9.991e-08 8.087e-08 -7.000 -7.092 -0.092 CO2[18O]-2 9.991e-08 8.087e-08 -7.000 -7.092 -0.092 (0)
CaCO2[18O] 3.288e-08 3.290e-08 -7.483 -7.483 0.000 CaCO2[18O] 3.288e-08 3.290e-08 -7.483 -7.483 0.000 (0)
CaHCO2[18O]+ 1.186e-08 1.126e-08 -7.926 -7.948 -0.023 CaHCO2[18O]+ 1.186e-08 1.126e-08 -7.926 -7.948 -0.023 (0)
CaHCO[18O]O+ 1.186e-08 1.126e-08 -7.926 -7.948 -0.023 CaHCO[18O]O+ 1.186e-08 1.126e-08 -7.926 -7.948 -0.023 (0)
CaHC[18O]O2+ 1.186e-08 1.126e-08 -7.926 -7.948 -0.023 CaHC[18O]O2+ 1.186e-08 1.126e-08 -7.926 -7.948 -0.023 (0)
HCO[18O]2- 7.705e-09 7.308e-09 -8.113 -8.136 -0.023 HCO[18O]2- 7.705e-09 7.308e-09 -8.113 -8.136 -0.023 (0)
HC[18O]2O- 7.705e-09 7.308e-09 -8.113 -8.136 -0.023 HC[18O]2O- 7.705e-09 7.308e-09 -8.113 -8.136 -0.023 (0)
HC[18O]O[18O]- 7.705e-09 7.308e-09 -8.113 -8.136 -0.023 HC[18O]O[18O]- 7.705e-09 7.308e-09 -8.113 -8.136 -0.023 (0)
NaHCO2[18O] 2.688e-09 2.690e-09 -8.571 -8.570 0.000 NaHCO2[18O] 2.688e-09 2.690e-09 -8.571 -8.570 0.000 (0)
NaHCO[18O]O 2.688e-09 2.690e-09 -8.571 -8.570 0.000 NaHCO[18O]O 2.688e-09 2.690e-09 -8.571 -8.570 0.000 (0)
NaHC[18O]O2 2.688e-09 2.690e-09 -8.571 -8.570 0.000 NaHC[18O]O2 2.688e-09 2.690e-09 -8.571 -8.570 0.000 (0)
NaCO2[18O]- 2.083e-09 1.976e-09 -8.681 -8.704 -0.023 NaCO2[18O]- 2.083e-09 1.976e-09 -8.681 -8.704 -0.023 (0)
Ca 3.097e-04 Ca 3.097e-04
Ca+2 2.981e-04 2.422e-04 -3.526 -3.616 -0.090 Ca+2 2.981e-04 2.422e-04 -3.526 -3.616 -0.090 (0)
CaHCO3+ 5.916e-06 5.618e-06 -5.228 -5.250 -0.023 CaHCO3+ 5.916e-06 5.618e-06 -5.228 -5.250 -0.023 (0)
CaCO3 5.466e-06 5.469e-06 -5.262 -5.262 0.000 CaCO3 5.466e-06 5.469e-06 -5.262 -5.262 0.000 (0)
CaH[13C]O3+ 6.616e-08 6.281e-08 -7.179 -7.202 -0.023 CaH[13C]O3+ 6.616e-08 6.281e-08 -7.179 -7.202 -0.023 (0)
Ca[13C]O3 6.104e-08 6.107e-08 -7.214 -7.214 0.000 Ca[13C]O3 6.104e-08 6.107e-08 -7.214 -7.214 0.000 (0)
CaCO2[18O] 3.288e-08 3.290e-08 -7.483 -7.483 0.000 CaCO2[18O] 3.288e-08 3.290e-08 -7.483 -7.483 0.000 (0)
CaHCO2[18O]+ 1.186e-08 1.126e-08 -7.926 -7.948 -0.023 CaHCO2[18O]+ 1.186e-08 1.126e-08 -7.926 -7.948 -0.023 (0)
CaHCO[18O]O+ 1.186e-08 1.126e-08 -7.926 -7.948 -0.023 CaHCO[18O]O+ 1.186e-08 1.126e-08 -7.926 -7.948 -0.023 (0)
CaHC[18O]O2+ 1.186e-08 1.126e-08 -7.926 -7.948 -0.023 CaHC[18O]O2+ 1.186e-08 1.126e-08 -7.926 -7.948 -0.023 (0)
CaDCO3+ 9.216e-10 8.750e-10 -9.035 -9.058 -0.023 CaDCO3+ 9.216e-10 8.750e-10 -9.035 -9.058 -0.023 (0)
Ca[13C]O2[18O] 3.672e-10 3.674e-10 -9.435 -9.435 0.000 Ca[13C]O2[18O] 3.672e-10 3.674e-10 -9.435 -9.435 0.000 (0)
D(0) 3.257e-18 D(0) 3.257e-18
HD 3.256e-18 3.258e-18 -17.487 -17.487 0.000 HD 3.256e-18 3.258e-18 -17.487 -17.487 0.000 (0)
D2 2.536e-22 2.537e-22 -21.596 -21.596 0.000 D2 2.536e-22 2.537e-22 -21.596 -21.596 0.000 (0)
D(1) 1.734e-02 D(1) 1.734e-02
HDO 1.731e-02 3.108e-04 -1.762 -3.507 -1.746 HDO 1.731e-02 3.108e-04 -1.762 -3.507 -1.746 (0)
HD[18O] 3.470e-05 6.233e-07 -4.460 -6.205 -1.746 HD[18O] 3.470e-05 6.233e-07 -4.460 -6.205 -1.746 (0)
D2O 1.348e-06 2.421e-08 -5.870 -7.616 -1.746 D2O 1.348e-06 2.421e-08 -5.870 -7.616 -1.746 (0)
DCO3- 2.985e-07 2.831e-07 -6.525 -6.548 -0.023 DCO3- 2.985e-07 2.831e-07 -6.525 -6.548 -0.023 (0)
H(0) 2.091e-14 H(0) 2.091e-14
H2 1.045e-14 1.046e-14 -13.981 -13.981 0.000 H2 1.045e-14 1.046e-14 -13.981 -13.981 0.000 (0)
HD 3.256e-18 3.258e-18 -17.487 -17.487 0.000 HD 3.256e-18 3.258e-18 -17.487 -17.487 0.000 (0)
Na 1.385e-03 Na 1.385e-03
Na+ 1.383e-03 1.312e-03 -2.859 -2.882 -0.023 Na+ 1.383e-03 1.312e-03 -2.859 -2.882 -0.023 (0)
NaHCO3 1.341e-06 1.341e-06 -5.873 -5.872 0.000 NaHCO3 1.341e-06 1.341e-06 -5.873 -5.872 0.000 (0)
NaCO3- 3.463e-07 3.285e-07 -6.460 -6.483 -0.023 NaCO3- 3.463e-07 3.285e-07 -6.460 -6.483 -0.023 (0)
NaH[13C]O3 1.499e-08 1.500e-08 -7.824 -7.824 0.000 NaH[13C]O3 1.499e-08 1.500e-08 -7.824 -7.824 0.000 (0)
Na[13C]O3- 3.867e-09 3.668e-09 -8.413 -8.436 -0.023 Na[13C]O3- 3.867e-09 3.668e-09 -8.413 -8.436 -0.023 (0)
NaHCO2[18O] 2.688e-09 2.690e-09 -8.571 -8.570 0.000 NaHCO2[18O] 2.688e-09 2.690e-09 -8.571 -8.570 0.000 (0)
NaHCO[18O]O 2.688e-09 2.690e-09 -8.571 -8.570 0.000 NaHCO[18O]O 2.688e-09 2.690e-09 -8.571 -8.570 0.000 (0)
NaHC[18O]O2 2.688e-09 2.690e-09 -8.571 -8.570 0.000 NaHC[18O]O2 2.688e-09 2.690e-09 -8.571 -8.570 0.000 (0)
NaCO2[18O]- 2.083e-09 1.976e-09 -8.681 -8.704 -0.023 NaCO2[18O]- 2.083e-09 1.976e-09 -8.681 -8.704 -0.023 (0)
O(0) 0.000e+00 O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -64.421 -64.421 0.000 O2 0.000e+00 0.000e+00 -64.421 -64.421 0.000 (0)
O[18O] 0.000e+00 0.000e+00 -66.818 -66.818 0.000 O[18O] 0.000e+00 0.000e+00 -66.818 -66.818 0.000 (0)
[13C](-4) 3.385e-26 [13C](-4) 3.385e-26
[13C]H4 3.383e-26 3.384e-26 -25.471 -25.471 0.000 [13C]H4 3.383e-26 3.384e-26 -25.471 -25.471 0.000 (0)
[13C]H3D 2.107e-29 2.109e-29 -28.676 -28.676 0.000 [13C]H3D 2.107e-29 2.109e-29 -28.676 -28.676 0.000 (0)
[13C](4) 2.218e-05 [13C](4) 2.218e-05
H[13C]O3- 2.143e-05 2.032e-05 -4.669 -4.692 -0.023 H[13C]O3- 2.143e-05 2.032e-05 -4.669 -4.692 -0.023 (0)
[13C]O2 2.879e-07 2.880e-07 -6.541 -6.541 0.000 [13C]O2 2.879e-07 2.880e-07 -6.541 -6.541 0.000 (0)
[13C]O3-2 1.854e-07 1.501e-07 -6.732 -6.824 -0.092 [13C]O3-2 1.854e-07 1.501e-07 -6.732 -6.824 -0.092 (0)
CaH[13C]O3+ 6.616e-08 6.281e-08 -7.179 -7.202 -0.023 CaH[13C]O3+ 6.616e-08 6.281e-08 -7.179 -7.202 -0.023 (0)
Ca[13C]O3 6.104e-08 6.107e-08 -7.214 -7.214 0.000 Ca[13C]O3 6.104e-08 6.107e-08 -7.214 -7.214 0.000 (0)
H[13C]O2[18O]- 4.296e-08 4.075e-08 -7.367 -7.390 -0.023 H[13C]O2[18O]- 4.296e-08 4.075e-08 -7.367 -7.390 -0.023 (0)
H[13C]O[18O]O- 4.296e-08 4.075e-08 -7.367 -7.390 -0.023 H[13C]O[18O]O- 4.296e-08 4.075e-08 -7.367 -7.390 -0.023 (0)
H[13C][18O]O2- 4.296e-08 4.075e-08 -7.367 -7.390 -0.023 H[13C][18O]O2- 4.296e-08 4.075e-08 -7.367 -7.390 -0.023 (0)
NaH[13C]O3 1.499e-08 1.500e-08 -7.824 -7.824 0.000 NaH[13C]O3 1.499e-08 1.500e-08 -7.824 -7.824 0.000 (0)
Na[13C]O3- 3.867e-09 3.668e-09 -8.413 -8.436 -0.023 Na[13C]O3- 3.867e-09 3.668e-09 -8.413 -8.436 -0.023 (0)
D[13C]O3- 3.337e-09 3.166e-09 -8.477 -8.500 -0.023 D[13C]O3- 3.337e-09 3.166e-09 -8.477 -8.500 -0.023 (0)
[13C]O[18O] 1.203e-09 1.204e-09 -8.920 -8.919 0.000 [13C]O[18O] 1.203e-09 1.204e-09 -8.920 -8.919 0.000 (0)
[13C]O2[18O]-2 1.116e-09 9.029e-10 -8.953 -9.044 -0.092 [13C]O2[18O]-2 1.116e-09 9.029e-10 -8.953 -9.044 -0.092 (0)
Ca[13C]O2[18O] 3.672e-10 3.674e-10 -9.435 -9.435 0.000 Ca[13C]O2[18O] 3.672e-10 3.674e-10 -9.435 -9.435 0.000 (0)
CaH[13C]O2[18O]+ 1.327e-10 1.260e-10 -9.877 -9.900 -0.023 CaH[13C]O2[18O]+ 1.327e-10 1.260e-10 -9.877 -9.900 -0.023 (0)
CaH[13C]O[18O]O+ 1.327e-10 1.260e-10 -9.877 -9.900 -0.023 CaH[13C]O[18O]O+ 1.327e-10 1.260e-10 -9.877 -9.900 -0.023 (0)
CaH[13C][18O]O2+ 1.327e-10 1.260e-10 -9.877 -9.900 -0.023 CaH[13C][18O]O2+ 1.327e-10 1.260e-10 -9.877 -9.900 -0.023 (0)
H[13C]O[18O]2- 8.615e-11 8.172e-11 -10.065 -10.088 -0.023 H[13C]O[18O]2- 8.615e-11 8.172e-11 -10.065 -10.088 -0.023 (0)
H[13C][18O]2O- 8.615e-11 8.172e-11 -10.065 -10.088 -0.023 H[13C][18O]2O- 8.615e-11 8.172e-11 -10.065 -10.088 -0.023 (0)
H[13C][18O]O[18O]- 8.615e-11 8.172e-11 -10.065 -10.088 -0.023 H[13C][18O]O[18O]- 8.615e-11 8.172e-11 -10.065 -10.088 -0.023 (0)
NaH[13C]O2[18O] 3.006e-11 3.008e-11 -10.522 -10.522 0.000 NaH[13C]O2[18O] 3.006e-11 3.008e-11 -10.522 -10.522 0.000 (0)
NaH[13C]O[18O]O 3.006e-11 3.008e-11 -10.522 -10.522 0.000 NaH[13C]O[18O]O 3.006e-11 3.008e-11 -10.522 -10.522 0.000 (0)
NaH[13C][18O]O2 3.006e-11 3.008e-11 -10.522 -10.522 0.000 NaH[13C][18O]O2 3.006e-11 3.008e-11 -10.522 -10.522 0.000 (0)
Na[13C]O2[18O]- 2.326e-11 2.207e-11 -10.633 -10.656 -0.023 Na[13C]O2[18O]- 2.326e-11 2.207e-11 -10.633 -10.656 -0.023 (0)
[18O](-2) 1.114e-01 [18O](-2) 1.114e-01
H2[18O] 1.114e-01 2.001e-03 -0.953 -2.699 -1.746 H2[18O] 1.114e-01 2.001e-03 -0.953 -2.699 -1.746 (0)
HD[18O] 3.470e-05 6.233e-07 -4.460 -6.205 -1.746 HD[18O] 3.470e-05 6.233e-07 -4.460 -6.205 -1.746 (0)
HCO2[18O]- 3.842e-06 3.645e-06 -5.415 -5.438 -0.023 HCO2[18O]- 3.842e-06 3.645e-06 -5.415 -5.438 -0.023 (0)
HCO[18O]O- 3.842e-06 3.645e-06 -5.415 -5.438 -0.023 HCO[18O]O- 3.842e-06 3.645e-06 -5.415 -5.438 -0.023 (0)
HC[18O]O2- 3.842e-06 3.645e-06 -5.415 -5.438 -0.023 HC[18O]O2- 3.842e-06 3.645e-06 -5.415 -5.438 -0.023 (0)
[18O](0) 0.000e+00 [18O](0) 0.000e+00
O[18O] 0.000e+00 0.000e+00 -66.818 -66.818 0.000 O[18O] 0.000e+00 0.000e+00 -66.818 -66.818 0.000 (0)
[18O]2 0.000e+00 0.000e+00 -69.817 -69.817 0.000 [18O]2 0.000e+00 0.000e+00 -69.817 -69.817 0.000 (0)
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------

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@ -122,21 +122,21 @@ Initial solution 0. column with only cell 1, two boundary solutions 0 and 2.
----------------------------Distribution of species---------------------------- ----------------------------Distribution of species----------------------------
Log Log Log Log Log Log mole V
Species Molality Activity Molality Activity Gamma Species Molality Activity Molality Activity Gamma cm3/mol
OH- 1.038e-07 1.001e-07 -6.984 -7.000 -0.016 OH- 1.038e-07 1.001e-07 -6.984 -7.000 -0.016 (0)
H+ 1.034e-07 1.000e-07 -6.985 -7.000 -0.015 H+ 1.034e-07 1.000e-07 -6.985 -7.000 -0.015 0.00
H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07
Cl 1.000e-03 Cl 1.000e-03
Cl- 1.000e-03 9.649e-04 -3.000 -3.016 -0.016 Cl- 1.000e-03 9.649e-04 -3.000 -3.016 -0.016 17.82
H(0) 1.416e-25 H(0) 1.416e-25
H2 7.078e-26 7.079e-26 -25.150 -25.150 0.000 H2 7.078e-26 7.079e-26 -25.150 -25.150 0.000 (0)
Na 1.000e-03 Na 1.000e-03
Na+ 1.000e-03 9.652e-04 -3.000 -3.015 -0.015 Na+ 1.000e-03 9.652e-04 -3.000 -3.015 -0.015 -1.21
NaOH 6.375e-11 6.377e-11 -10.196 -10.195 0.000 NaOH 6.375e-11 6.377e-11 -10.196 -10.195 0.000 (0)
O(0) 0.000e+00 O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -42.080 -42.080 0.000 O2 0.000e+00 0.000e+00 -42.080 -42.080 0.000 (0)
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
@ -453,70 +453,70 @@ WARNING: USER_PUNCH: Headings count doesn't match number of calls to PUNCH.
----------------------------Distribution of species---------------------------- ----------------------------Distribution of species----------------------------
Log Log Log Log Log Log mole V
Species Molality Activity Molality Activity Gamma Species Molality Activity Molality Activity Gamma cm3/mol
OH- 5.138e-07 3.386e-07 -6.289 -6.470 -0.181 OH- 5.138e-07 3.386e-07 -6.289 -6.470 -0.181 (0)
H+ 3.237e-08 2.512e-08 -7.490 -7.600 -0.110 H+ 3.237e-08 2.512e-08 -7.490 -7.600 -0.110 0.00
H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.06
C(4) 4.788e-04 C(4) 4.788e-04
HCO3- 3.789e-04 2.694e-04 -3.421 -3.570 -0.148 HCO3- 3.789e-04 2.694e-04 -3.421 -3.570 -0.148 24.15
CaHCO3+ 3.068e-05 2.182e-05 -4.513 -4.661 -0.148 CaHCO3+ 3.068e-05 2.182e-05 -4.513 -4.661 -0.148 (0)
NaHCO3 2.379e-05 2.588e-05 -4.624 -4.587 0.037 NaHCO3 2.379e-05 2.588e-05 -4.624 -4.587 0.037 (0)
MgHCO3+ 1.977e-05 1.447e-05 -4.704 -4.840 -0.136 MgHCO3+ 1.977e-05 1.447e-05 -4.704 -4.840 -0.136 (0)
CO2 1.450e-05 1.577e-05 -4.839 -4.802 0.037 CO2 1.450e-05 1.577e-05 -4.839 -4.802 0.037 (0)
CaCO3 4.698e-06 5.110e-06 -5.328 -5.292 0.037 CaCO3 4.698e-06 5.110e-06 -5.328 -5.292 0.037 (0)
MgCO3 1.900e-06 2.067e-06 -5.721 -5.685 0.037 MgCO3 1.900e-06 2.067e-06 -5.721 -5.685 0.037 (0)
NaCO3- 1.895e-06 1.387e-06 -5.722 -5.858 -0.136 NaCO3- 1.895e-06 1.387e-06 -5.722 -5.858 -0.136 (0)
CO3-2 1.889e-06 4.825e-07 -5.724 -6.316 -0.593 CO3-2 1.889e-06 4.825e-07 -5.724 -6.316 -0.593 -3.93
SrHCO3+ 6.950e-07 4.941e-07 -6.158 -6.306 -0.148 SrHCO3+ 6.950e-07 4.941e-07 -6.158 -6.306 -0.148 (0)
SrCO3 3.428e-08 3.729e-08 -7.465 -7.428 0.037 SrCO3 3.428e-08 3.729e-08 -7.465 -7.428 0.037 (0)
Ca 2.580e-02 Ca 2.580e-02
Ca+2 2.357e-02 6.553e-03 -1.628 -2.184 -0.556 Ca+2 2.357e-02 6.553e-03 -1.628 -2.184 -0.556 -17.86
CaSO4 2.192e-03 2.384e-03 -2.659 -2.623 0.037 CaSO4 2.192e-03 2.384e-03 -2.659 -2.623 0.037 (0)
CaHCO3+ 3.068e-05 2.182e-05 -4.513 -4.661 -0.148 CaHCO3+ 3.068e-05 2.182e-05 -4.513 -4.661 -0.148 (0)
CaCO3 4.698e-06 5.110e-06 -5.328 -5.292 0.037 CaCO3 4.698e-06 5.110e-06 -5.328 -5.292 0.037 (0)
CaOH+ 5.856e-08 4.286e-08 -7.232 -7.368 -0.136 CaOH+ 5.856e-08 4.286e-08 -7.232 -7.368 -0.136 (0)
CaHSO4+ 4.678e-10 3.423e-10 -9.330 -9.466 -0.136 CaHSO4+ 4.678e-10 3.423e-10 -9.330 -9.466 -0.136 (0)
Cl 3.000e-01 Cl 3.000e-01
Cl- 3.000e-01 2.002e-01 -0.523 -0.699 -0.176 Cl- 3.000e-01 2.002e-01 -0.523 -0.699 -0.176 17.78
H(0) 0.000e+00 H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -44.617 -44.580 0.037 H2 0.000e+00 0.000e+00 -44.617 -44.580 0.037 (0)
Hto 1.140e-06 Hto 1.140e-06
Hto 1.140e-06 1.140e-06 -5.943 -5.943 0.000 Hto 1.140e-06 1.140e-06 -5.943 -5.943 0.000 (0)
K 1.610e-03 K 1.610e-03
K+ 1.592e-03 1.062e-03 -2.798 -2.974 -0.176 K+ 1.592e-03 1.062e-03 -2.798 -2.974 -0.176 8.94
KSO4- 1.830e-05 1.339e-05 -4.738 -4.873 -0.136 KSO4- 1.830e-05 1.339e-05 -4.738 -4.873 -0.136 (0)
KOH 1.334e-10 1.452e-10 -9.875 -9.838 0.037 KOH 1.334e-10 1.452e-10 -9.875 -9.838 0.037 (0)
Mg 1.690e-02 Mg 1.690e-02
Mg+2 1.512e-02 4.629e-03 -1.821 -2.335 -0.514 Mg+2 1.512e-02 4.629e-03 -1.821 -2.335 -0.514 -21.11
MgSO4 1.760e-03 1.914e-03 -2.754 -2.718 0.037 MgSO4 1.760e-03 1.914e-03 -2.754 -2.718 0.037 (0)
MgHCO3+ 1.977e-05 1.447e-05 -4.704 -4.840 -0.136 MgHCO3+ 1.977e-05 1.447e-05 -4.704 -4.840 -0.136 (0)
MgCO3 1.900e-06 2.067e-06 -5.721 -5.685 0.037 MgCO3 1.900e-06 2.067e-06 -5.721 -5.685 0.037 (0)
MgOH+ 7.546e-07 5.522e-07 -6.122 -6.258 -0.136 MgOH+ 7.546e-07 5.522e-07 -6.122 -6.258 -0.136 (0)
Na 2.400e-01 Na 2.400e-01
Na+ 2.378e-01 1.708e-01 -0.624 -0.767 -0.144 Na+ 2.378e-01 1.708e-01 -0.624 -0.767 -0.144 -1.34
NaSO4- 2.146e-03 1.571e-03 -2.668 -2.804 -0.136 NaSO4- 2.146e-03 1.571e-03 -2.668 -2.804 -0.136 (0)
NaHCO3 2.379e-05 2.588e-05 -4.624 -4.587 0.037 NaHCO3 2.379e-05 2.588e-05 -4.624 -4.587 0.037 (0)
NaCO3- 1.895e-06 1.387e-06 -5.722 -5.858 -0.136 NaCO3- 1.895e-06 1.387e-06 -5.722 -5.858 -0.136 (0)
NaOH 4.089e-08 4.448e-08 -7.388 -7.352 0.037 NaOH 4.089e-08 4.448e-08 -7.388 -7.352 0.037 (0)
O(0) 2.437e-04 O(0) 2.437e-04
O2 1.219e-04 1.325e-04 -3.914 -3.878 0.037 O2 1.219e-04 1.325e-04 -3.914 -3.878 0.037 (0)
S(6) 1.410e-02 S(6) 1.410e-02
SO4-2 7.942e-03 1.858e-03 -2.100 -2.731 -0.631 SO4-2 7.942e-03 1.858e-03 -2.100 -2.731 -0.631 13.84
CaSO4 2.192e-03 2.384e-03 -2.659 -2.623 0.037 CaSO4 2.192e-03 2.384e-03 -2.659 -2.623 0.037 (0)
NaSO4- 2.146e-03 1.571e-03 -2.668 -2.804 -0.136 NaSO4- 2.146e-03 1.571e-03 -2.668 -2.804 -0.136 (0)
MgSO4 1.760e-03 1.914e-03 -2.754 -2.718 0.037 MgSO4 1.760e-03 1.914e-03 -2.754 -2.718 0.037 (0)
SrSO4 4.177e-05 4.543e-05 -4.379 -4.343 0.037 SrSO4 4.177e-05 4.543e-05 -4.379 -4.343 0.037 (0)
KSO4- 1.830e-05 1.339e-05 -4.738 -4.873 -0.136 KSO4- 1.830e-05 1.339e-05 -4.738 -4.873 -0.136 (0)
HSO4- 5.938e-09 4.346e-09 -8.226 -8.362 -0.136 HSO4- 5.938e-09 4.346e-09 -8.226 -8.362 -0.136 (0)
CaHSO4+ 4.678e-10 3.423e-10 -9.330 -9.466 -0.136 CaHSO4+ 4.678e-10 3.423e-10 -9.330 -9.466 -0.136 (0)
Sr 5.050e-04 Sr 5.050e-04
Sr+2 4.625e-04 1.284e-04 -3.335 -3.891 -0.557 Sr+2 4.625e-04 1.284e-04 -3.335 -3.891 -0.557 -18.51
SrSO4 4.177e-05 4.543e-05 -4.379 -4.343 0.037 SrSO4 4.177e-05 4.543e-05 -4.379 -4.343 0.037 (0)
SrHCO3+ 6.950e-07 4.941e-07 -6.158 -6.306 -0.148 SrHCO3+ 6.950e-07 4.941e-07 -6.158 -6.306 -0.148 (0)
SrCO3 3.428e-08 3.729e-08 -7.465 -7.428 0.037 SrCO3 3.428e-08 3.729e-08 -7.465 -7.428 0.037 (0)
SrOH+ 3.701e-10 2.595e-10 -9.432 -9.586 -0.154 SrOH+ 3.701e-10 2.595e-10 -9.432 -9.586 -0.154 (0)
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------

546
ex3.out
View File

@ -67,16 +67,16 @@ Initial solution 1. Pure water
----------------------------Distribution of species---------------------------- ----------------------------Distribution of species----------------------------
Log Log Log Log Log Log mole V
Species Molality Activity Molality Activity Gamma Species Molality Activity Molality Activity Gamma cm3/mol
OH- 1.002e-07 1.001e-07 -6.999 -6.999 -0.000 OH- 1.002e-07 1.001e-07 -6.999 -6.999 -0.000 (0)
H+ 1.001e-07 1.000e-07 -7.000 -7.000 -0.000 H+ 1.001e-07 1.000e-07 -7.000 -7.000 -0.000 0.00
H2O 5.551e+01 1.000e+00 1.744 0.000 0.000 H2O 5.551e+01 1.000e+00 1.744 0.000 0.000 18.07
H(0) 1.416e-25 H(0) 1.416e-25
H2 7.079e-26 7.079e-26 -25.150 -25.150 0.000 H2 7.079e-26 7.079e-26 -25.150 -25.150 0.000 (0)
O(0) 0.000e+00 O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -42.080 -42.080 0.000 O2 0.000e+00 0.000e+00 -42.080 -42.080 0.000 (0)
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
@ -131,29 +131,29 @@ Calcite 0.00 -8.48 -8.48 1.000e+01 9.998e+00 -1.646e-03
----------------------------Distribution of species---------------------------- ----------------------------Distribution of species----------------------------
Log Log Log Log Log Log mole V
Species Molality Activity Molality Activity Gamma Species Molality Activity Molality Activity Gamma cm3/mol
OH- 2.137e-07 1.982e-07 -6.670 -6.703 -0.033 OH- 2.137e-07 1.982e-07 -6.670 -6.703 -0.033 (0)
H+ 5.403e-08 5.050e-08 -7.267 -7.297 -0.029 H+ 5.403e-08 5.050e-08 -7.267 -7.297 -0.029 0.00
H2O 5.551e+01 9.999e-01 1.744 -0.000 0.000 H2O 5.551e+01 9.999e-01 1.744 -0.000 0.000 18.07
C(-4) 6.287e-25 C(-4) 6.287e-25
CH4 6.287e-25 6.294e-25 -24.202 -24.201 0.000 CH4 6.287e-25 6.294e-25 -24.202 -24.201 0.000 (0)
C(4) 3.622e-03 C(4) 3.622e-03
HCO3- 3.224e-03 2.998e-03 -2.492 -2.523 -0.032 HCO3- 3.224e-03 2.998e-03 -2.492 -2.523 -0.032 24.29
CO2 3.401e-04 3.405e-04 -3.468 -3.468 0.000 CO2 3.401e-04 3.405e-04 -3.468 -3.468 0.000 (0)
CaHCO3+ 4.894e-05 4.551e-05 -4.310 -4.342 -0.032 CaHCO3+ 4.894e-05 4.551e-05 -4.310 -4.342 -0.032 (0)
CaCO3 5.559e-06 5.565e-06 -5.255 -5.255 0.000 CaCO3 5.559e-06 5.565e-06 -5.255 -5.255 0.000 (0)
CO3-2 3.721e-06 2.784e-06 -5.429 -5.555 -0.126 CO3-2 3.721e-06 2.784e-06 -5.429 -5.555 -0.126 -3.78
Ca 1.646e-03 Ca 1.646e-03
Ca+2 1.591e-03 1.190e-03 -2.798 -2.925 -0.126 Ca+2 1.591e-03 1.190e-03 -2.798 -2.925 -0.126 -17.83
CaHCO3+ 4.894e-05 4.551e-05 -4.310 -4.342 -0.032 CaHCO3+ 4.894e-05 4.551e-05 -4.310 -4.342 -0.032 (0)
CaCO3 5.559e-06 5.565e-06 -5.255 -5.255 0.000 CaCO3 5.559e-06 5.565e-06 -5.255 -5.255 0.000 (0)
CaOH+ 4.212e-09 3.910e-09 -8.376 -8.408 -0.032 CaOH+ 4.212e-09 3.910e-09 -8.376 -8.408 -0.032 (0)
H(0) 7.408e-15 H(0) 7.408e-15
H2 3.704e-15 3.708e-15 -14.431 -14.431 0.000 H2 3.704e-15 3.708e-15 -14.431 -14.431 0.000 (0)
O(0) 0.000e+00 O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -63.519 -63.518 0.000 O2 0.000e+00 0.000e+00 -63.519 -63.518 0.000 (0)
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
@ -237,63 +237,63 @@ Initial solution 2. Seawater
----------------------------Distribution of species---------------------------- ----------------------------Distribution of species----------------------------
Log Log Log Log Log Log mole V
Species Molality Activity Molality Activity Gamma Species Molality Activity Molality Activity Gamma cm3/mol
OH- 2.674e-06 1.629e-06 -5.573 -5.788 -0.215 OH- 2.674e-06 1.629e-06 -5.573 -5.788 -0.215 (0)
H+ 7.981e-09 6.026e-09 -8.098 -8.220 -0.122 H+ 7.981e-09 6.026e-09 -8.098 -8.220 -0.122 0.00
H2O 5.551e+01 9.806e-01 1.744 -0.009 0.000 H2O 5.551e+01 9.806e-01 1.744 -0.009 0.000 18.07
C(4) 2.180e-03 C(4) 2.180e-03
HCO3- 1.514e-03 1.023e-03 -2.820 -2.990 -0.170 HCO3- 1.514e-03 1.023e-03 -2.820 -2.990 -0.170 24.32
MgHCO3+ 2.196e-04 1.640e-04 -3.658 -3.785 -0.127 MgHCO3+ 2.196e-04 1.640e-04 -3.658 -3.785 -0.127 (0)
NaHCO3 1.668e-04 1.948e-04 -3.778 -3.710 0.067 NaHCO3 1.668e-04 1.948e-04 -3.778 -3.710 0.067 (0)
MgCO3 8.914e-05 1.041e-04 -4.050 -3.982 0.067 MgCO3 8.914e-05 1.041e-04 -4.050 -3.982 0.067 (0)
NaCO3- 6.719e-05 5.020e-05 -4.173 -4.299 -0.127 NaCO3- 6.719e-05 5.020e-05 -4.173 -4.299 -0.127 (0)
CaHCO3+ 4.598e-05 3.106e-05 -4.337 -4.508 -0.170 CaHCO3+ 4.598e-05 3.106e-05 -4.337 -4.508 -0.170 (0)
CO3-2 3.821e-05 7.960e-06 -4.418 -5.099 -0.681 CO3-2 3.821e-05 7.960e-06 -4.418 -5.099 -0.681 -3.65
CaCO3 2.725e-05 3.183e-05 -4.565 -4.497 0.067 CaCO3 2.725e-05 3.183e-05 -4.565 -4.497 0.067 (0)
CO2 1.210e-05 1.413e-05 -4.917 -4.850 0.067 CO2 1.210e-05 1.413e-05 -4.917 -4.850 0.067 (0)
Ca 1.066e-02 Ca 1.066e-02
Ca+2 9.504e-03 2.380e-03 -2.022 -2.623 -0.601 Ca+2 9.504e-03 2.380e-03 -2.022 -2.623 -0.601 -17.70
CaSO4 1.083e-03 1.266e-03 -2.965 -2.898 0.067 CaSO4 1.083e-03 1.266e-03 -2.965 -2.898 0.067 (0)
CaHCO3+ 4.598e-05 3.106e-05 -4.337 -4.508 -0.170 CaHCO3+ 4.598e-05 3.106e-05 -4.337 -4.508 -0.170 (0)
CaCO3 2.725e-05 3.183e-05 -4.565 -4.497 0.067 CaCO3 2.725e-05 3.183e-05 -4.565 -4.497 0.067 (0)
CaOH+ 8.604e-08 6.429e-08 -7.065 -7.192 -0.127 CaOH+ 8.604e-08 6.429e-08 -7.065 -7.192 -0.127 (0)
CaHSO4+ 5.979e-11 4.467e-11 -10.223 -10.350 -0.127 CaHSO4+ 5.979e-11 4.467e-11 -10.223 -10.350 -0.127 (0)
Cl 5.657e-01 Cl 5.657e-01
Cl- 5.657e-01 3.528e-01 -0.247 -0.452 -0.205 Cl- 5.657e-01 3.528e-01 -0.247 -0.452 -0.205 17.85
H(0) 5.515e-37 H(0) 5.515e-37
H2 2.757e-37 3.221e-37 -36.559 -36.492 0.067 H2 2.757e-37 3.221e-37 -36.559 -36.492 0.067 (0)
K 1.058e-02 K 1.058e-02
K+ 1.041e-02 6.495e-03 -1.982 -2.187 -0.205 K+ 1.041e-02 6.495e-03 -1.982 -2.187 -0.205 9.06
KSO4- 1.627e-04 1.216e-04 -3.789 -3.915 -0.127 KSO4- 1.627e-04 1.216e-04 -3.789 -3.915 -0.127 (0)
KOH 3.137e-09 3.665e-09 -8.503 -8.436 0.067 KOH 3.137e-09 3.665e-09 -8.503 -8.436 0.067 (0)
Mg 5.507e-02 Mg 5.507e-02
Mg+2 4.742e-02 1.371e-02 -1.324 -1.863 -0.539 Mg+2 4.742e-02 1.371e-02 -1.324 -1.863 -0.539 -21.02
MgSO4 7.330e-03 8.562e-03 -2.135 -2.067 0.067 MgSO4 7.330e-03 8.562e-03 -2.135 -2.067 0.067 (0)
MgHCO3+ 2.196e-04 1.640e-04 -3.658 -3.785 -0.127 MgHCO3+ 2.196e-04 1.640e-04 -3.658 -3.785 -0.127 (0)
MgCO3 8.914e-05 1.041e-04 -4.050 -3.982 0.067 MgCO3 8.914e-05 1.041e-04 -4.050 -3.982 0.067 (0)
MgOH+ 1.084e-05 8.100e-06 -4.965 -5.092 -0.127 MgOH+ 1.084e-05 8.100e-06 -4.965 -5.092 -0.127 (0)
Na 4.854e-01 Na 4.854e-01
Na+ 4.791e-01 3.387e-01 -0.320 -0.470 -0.151 Na+ 4.791e-01 3.387e-01 -0.320 -0.470 -0.151 -1.18
NaSO4- 6.053e-03 4.523e-03 -2.218 -2.345 -0.127 NaSO4- 6.053e-03 4.523e-03 -2.218 -2.345 -0.127 (0)
NaHCO3 1.668e-04 1.948e-04 -3.778 -3.710 0.067 NaHCO3 1.668e-04 1.948e-04 -3.778 -3.710 0.067 (0)
NaCO3- 6.719e-05 5.020e-05 -4.173 -4.299 -0.127 NaCO3- 6.719e-05 5.020e-05 -4.173 -4.299 -0.127 (0)
NaOH 3.117e-07 3.641e-07 -6.506 -6.439 0.067 NaOH 3.117e-07 3.641e-07 -6.506 -6.439 0.067 (0)
O(0) 6.614e-20 O(0) 6.614e-20
O2 3.307e-20 3.863e-20 -19.481 -19.413 0.067 O2 3.307e-20 3.863e-20 -19.481 -19.413 0.067 (0)
S(6) 2.926e-02 S(6) 2.926e-02
SO4-2 1.463e-02 2.664e-03 -1.835 -2.574 -0.740 SO4-2 1.463e-02 2.664e-03 -1.835 -2.574 -0.740 14.11
MgSO4 7.330e-03 8.562e-03 -2.135 -2.067 0.067 MgSO4 7.330e-03 8.562e-03 -2.135 -2.067 0.067 (0)
NaSO4- 6.053e-03 4.523e-03 -2.218 -2.345 -0.127 NaSO4- 6.053e-03 4.523e-03 -2.218 -2.345 -0.127 (0)
CaSO4 1.083e-03 1.266e-03 -2.965 -2.898 0.067 CaSO4 1.083e-03 1.266e-03 -2.965 -2.898 0.067 (0)
KSO4- 1.627e-04 1.216e-04 -3.789 -3.915 -0.127 KSO4- 1.627e-04 1.216e-04 -3.789 -3.915 -0.127 (0)
HSO4- 2.089e-09 1.561e-09 -8.680 -8.807 -0.127 HSO4- 2.089e-09 1.561e-09 -8.680 -8.807 -0.127 (0)
CaHSO4+ 5.979e-11 4.467e-11 -10.223 -10.350 -0.127 CaHSO4+ 5.979e-11 4.467e-11 -10.223 -10.350 -0.127 (0)
Si 7.382e-05 Si 7.382e-05
H4SiO4 7.110e-05 8.306e-05 -4.148 -4.081 0.067 H4SiO4 7.110e-05 8.306e-05 -4.148 -4.081 0.067 56.00
H3SiO4- 2.720e-06 2.032e-06 -5.565 -5.692 -0.127 H3SiO4- 2.720e-06 2.032e-06 -5.565 -5.692 -0.127 (0)
H2SiO4-2 7.362e-11 2.294e-11 -10.133 -10.639 -0.506 H2SiO4-2 7.362e-11 2.294e-11 -10.133 -10.639 -0.506 (0)
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
@ -384,69 +384,69 @@ Mixture 1.
----------------------------Distribution of species---------------------------- ----------------------------Distribution of species----------------------------
Log Log Log Log Log Log mole V
Species Molality Activity Molality Activity Gamma Species Molality Activity Molality Activity Gamma cm3/mol
OH- 3.170e-07 2.231e-07 -6.499 -6.651 -0.153 OH- 3.170e-07 2.231e-07 -6.499 -6.651 -0.153 (0)
H+ 5.603e-08 4.460e-08 -7.252 -7.351 -0.099 H+ 5.603e-08 4.460e-08 -7.252 -7.351 -0.099 0.00
H2O 5.551e+01 9.941e-01 1.744 -0.003 0.000 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 -121.550 -121.529 0.021 CH4 0.000e+00 0.000e+00 -121.550 -121.529 0.021 (0)
C(4) 3.189e-03 C(4) 3.189e-03
HCO3- 2.662e-03 1.980e-03 -2.575 -2.703 -0.129 HCO3- 2.662e-03 1.980e-03 -2.575 -2.703 -0.129 24.50
CO2 1.904e-04 1.998e-04 -3.720 -3.699 0.021 CO2 1.904e-04 1.998e-04 -3.720 -3.699 0.021 (0)
MgHCO3+ 1.545e-04 1.151e-04 -3.811 -3.939 -0.128 MgHCO3+ 1.545e-04 1.151e-04 -3.811 -3.939 -0.128 (0)
NaHCO3 1.137e-04 1.192e-04 -3.944 -3.924 0.021 NaHCO3 1.137e-04 1.192e-04 -3.944 -3.924 0.021 (0)
CaHCO3+ 4.245e-05 3.158e-05 -4.372 -4.501 -0.129 CaHCO3+ 4.245e-05 3.158e-05 -4.372 -4.501 -0.129 (0)
MgCO3 9.408e-06 9.871e-06 -5.027 -5.006 0.021 MgCO3 9.408e-06 9.871e-06 -5.027 -5.006 0.021 (0)
CO3-2 6.803e-06 2.082e-06 -5.167 -5.682 -0.514 CO3-2 6.803e-06 2.082e-06 -5.167 -5.682 -0.514 -2.93
NaCO3- 5.572e-06 4.151e-06 -5.254 -5.382 -0.128 NaCO3- 5.572e-06 4.151e-06 -5.254 -5.382 -0.128 (0)
CaCO3 4.166e-06 4.371e-06 -5.380 -5.359 0.021 CaCO3 4.166e-06 4.371e-06 -5.380 -5.359 0.021 (0)
Ca 4.350e-03 Ca 4.350e-03
Ca+2 3.928e-03 1.250e-03 -2.406 -2.903 -0.497 Ca+2 3.928e-03 1.250e-03 -2.406 -2.903 -0.497 -16.98
CaSO4 3.753e-04 3.938e-04 -3.426 -3.405 0.021 CaSO4 3.753e-04 3.938e-04 -3.426 -3.405 0.021 (0)
CaHCO3+ 4.245e-05 3.158e-05 -4.372 -4.501 -0.129 CaHCO3+ 4.245e-05 3.158e-05 -4.372 -4.501 -0.129 (0)
CaCO3 4.166e-06 4.371e-06 -5.380 -5.359 0.021 CaCO3 4.166e-06 4.371e-06 -5.380 -5.359 0.021 (0)
CaOH+ 6.204e-09 4.622e-09 -8.207 -8.335 -0.128 CaOH+ 6.204e-09 4.622e-09 -8.207 -8.335 -0.128 (0)
CaHSO4+ 1.381e-10 1.029e-10 -9.860 -9.988 -0.128 CaHSO4+ 1.381e-10 1.029e-10 -9.860 -9.988 -0.128 (0)
Cl 1.697e-01 Cl 1.697e-01
Cl- 1.697e-01 1.203e-01 -0.770 -0.920 -0.149 Cl- 1.697e-01 1.203e-01 -0.770 -0.920 -0.149 18.03
H(0) 3.749e-39 H(0) 3.749e-39
H2 1.874e-39 1.967e-39 -38.727 -38.706 0.021 H2 1.874e-39 1.967e-39 -38.727 -38.706 0.021 (0)
K 3.173e-03 K 3.173e-03
K+ 3.140e-03 2.226e-03 -2.503 -2.652 -0.149 K+ 3.140e-03 2.226e-03 -2.503 -2.652 -0.149 9.24
KSO4- 3.316e-05 2.470e-05 -4.479 -4.607 -0.128 KSO4- 3.316e-05 2.470e-05 -4.479 -4.607 -0.128 (0)
KOH 1.639e-10 1.720e-10 -9.785 -9.764 0.021 KOH 1.639e-10 1.720e-10 -9.785 -9.764 0.021 (0)
Mg 1.652e-02 Mg 1.652e-02
Mg+2 1.460e-02 4.968e-03 -1.836 -2.304 -0.468 Mg+2 1.460e-02 4.968e-03 -1.836 -2.304 -0.468 -20.30
MgSO4 1.753e-03 1.839e-03 -2.756 -2.735 0.021 MgSO4 1.753e-03 1.839e-03 -2.756 -2.735 0.021 (0)
MgHCO3+ 1.545e-04 1.151e-04 -3.811 -3.939 -0.128 MgHCO3+ 1.545e-04 1.151e-04 -3.811 -3.939 -0.128 (0)
MgCO3 9.408e-06 9.871e-06 -5.027 -5.006 0.021 MgCO3 9.408e-06 9.871e-06 -5.027 -5.006 0.021 (0)
MgOH+ 5.396e-07 4.020e-07 -6.268 -6.396 -0.128 MgOH+ 5.396e-07 4.020e-07 -6.268 -6.396 -0.128 (0)
Na 1.456e-01 Na 1.456e-01
Na+ 1.444e-01 1.071e-01 -0.841 -0.970 -0.130 Na+ 1.444e-01 1.071e-01 -0.841 -0.970 -0.130 -1.00
NaSO4- 1.138e-03 8.476e-04 -2.944 -3.072 -0.128 NaSO4- 1.138e-03 8.476e-04 -2.944 -3.072 -0.128 (0)
NaHCO3 1.137e-04 1.192e-04 -3.944 -3.924 0.021 NaHCO3 1.137e-04 1.192e-04 -3.944 -3.924 0.021 (0)
NaCO3- 5.572e-06 4.151e-06 -5.254 -5.382 -0.128 NaCO3- 5.572e-06 4.151e-06 -5.254 -5.382 -0.128 (0)
NaOH 1.503e-08 1.577e-08 -7.823 -7.802 0.021 NaOH 1.503e-08 1.577e-08 -7.823 -7.802 0.021 (0)
O(0) 2.031e-15 O(0) 2.031e-15
O2 1.015e-15 1.065e-15 -14.993 -14.973 0.021 O2 1.015e-15 1.065e-15 -14.993 -14.973 0.021 (0)
S(-2) 0.000e+00 S(-2) 0.000e+00
HS- 0.000e+00 0.000e+00 -118.564 -118.717 -0.153 HS- 0.000e+00 0.000e+00 -118.564 -118.717 -0.153 (0)
H2S 0.000e+00 0.000e+00 -119.147 -119.126 0.021 H2S 0.000e+00 0.000e+00 -119.147 -119.126 0.021 (0)
S-2 0.000e+00 0.000e+00 -123.753 -124.284 -0.532 S-2 0.000e+00 0.000e+00 -123.753 -124.284 -0.532 (0)
S(6) 8.777e-03 S(6) 8.777e-03
SO4-2 5.478e-03 1.579e-03 -2.261 -2.802 -0.540 SO4-2 5.478e-03 1.579e-03 -2.261 -2.802 -0.540 14.83
MgSO4 1.753e-03 1.839e-03 -2.756 -2.735 0.021 MgSO4 1.753e-03 1.839e-03 -2.756 -2.735 0.021 (0)
NaSO4- 1.138e-03 8.476e-04 -2.944 -3.072 -0.128 NaSO4- 1.138e-03 8.476e-04 -2.944 -3.072 -0.128 (0)
CaSO4 3.753e-04 3.938e-04 -3.426 -3.405 0.021 CaSO4 3.753e-04 3.938e-04 -3.426 -3.405 0.021 (0)
KSO4- 3.316e-05 2.470e-05 -4.479 -4.607 -0.128 KSO4- 3.316e-05 2.470e-05 -4.479 -4.607 -0.128 (0)
HSO4- 9.193e-09 6.849e-09 -8.037 -8.164 -0.128 HSO4- 9.193e-09 6.849e-09 -8.037 -8.164 -0.128 (0)
CaHSO4+ 1.381e-10 1.029e-10 -9.860 -9.988 -0.128 CaHSO4+ 1.381e-10 1.029e-10 -9.860 -9.988 -0.128 (0)
Si 2.215e-05 Si 2.215e-05
H4SiO4 2.204e-05 2.313e-05 -4.657 -4.636 0.021 H4SiO4 2.204e-05 2.313e-05 -4.657 -4.636 0.021 56.00
H3SiO4- 1.026e-07 7.646e-08 -6.989 -7.117 -0.128 H3SiO4- 1.026e-07 7.646e-08 -6.989 -7.117 -0.128 (0)
H2SiO4-2 3.784e-13 1.166e-13 -12.422 -12.933 -0.511 H2SiO4-2 3.784e-13 1.166e-13 -12.422 -12.933 -0.511 (0)
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
@ -544,69 +544,69 @@ Dolomite 0.00 -17.09 -17.09 1.000e+01 1.001e+01 7.935e-03
----------------------------Distribution of species---------------------------- ----------------------------Distribution of species----------------------------
Log Log Log Log Log Log mole V
Species Molality Activity Molality Activity Gamma Species Molality Activity Molality Activity Gamma cm3/mol
OH- 1.609e-07 1.132e-07 -6.793 -6.946 -0.153 OH- 1.609e-07 1.132e-07 -6.793 -6.946 -0.153 (0)
H+ 1.104e-07 8.788e-08 -6.957 -7.056 -0.099 H+ 1.104e-07 8.788e-08 -6.957 -7.056 -0.099 0.00
H2O 5.551e+01 9.941e-01 1.744 -0.003 0.000 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 -121.312 -121.291 0.021 CH4 0.000e+00 0.000e+00 -121.312 -121.291 0.021 (0)
C(4) 3.029e-03 C(4) 3.029e-03
HCO3- 2.397e-03 1.783e-03 -2.620 -2.749 -0.129 HCO3- 2.397e-03 1.783e-03 -2.620 -2.749 -0.129 24.50
CO2 3.377e-04 3.543e-04 -3.471 -3.451 0.021 CO2 3.377e-04 3.543e-04 -3.471 -3.451 0.021 (0)
CaHCO3+ 1.065e-04 7.920e-05 -3.973 -4.101 -0.129 CaHCO3+ 1.065e-04 7.920e-05 -3.973 -4.101 -0.129 (0)
NaHCO3 1.023e-04 1.073e-04 -3.990 -3.969 0.021 NaHCO3 1.023e-04 1.073e-04 -3.990 -3.969 0.021 (0)
MgHCO3+ 7.221e-05 5.380e-05 -4.141 -4.269 -0.128 MgHCO3+ 7.221e-05 5.380e-05 -4.141 -4.269 -0.128 (0)
CaCO3 5.304e-06 5.565e-06 -5.275 -5.255 0.021 CaCO3 5.304e-06 5.565e-06 -5.275 -5.255 0.021 (0)
CO3-2 3.109e-06 9.513e-07 -5.507 -6.022 -0.514 CO3-2 3.109e-06 9.513e-07 -5.507 -6.022 -0.514 -2.93
NaCO3- 2.546e-06 1.897e-06 -5.594 -5.722 -0.128 NaCO3- 2.546e-06 1.897e-06 -5.594 -5.722 -0.128 (0)
MgCO3 2.232e-06 2.341e-06 -5.651 -5.631 0.021 MgCO3 2.232e-06 2.341e-06 -5.651 -5.631 0.021 (0)
Ca 1.213e-02 Ca 1.213e-02
Ca+2 1.095e-02 3.482e-03 -1.961 -2.458 -0.497 Ca+2 1.095e-02 3.482e-03 -1.961 -2.458 -0.497 -16.98
CaSO4 1.067e-03 1.119e-03 -2.972 -2.951 0.021 CaSO4 1.067e-03 1.119e-03 -2.972 -2.951 0.021 (0)
CaHCO3+ 1.065e-04 7.920e-05 -3.973 -4.101 -0.129 CaHCO3+ 1.065e-04 7.920e-05 -3.973 -4.101 -0.129 (0)
CaCO3 5.304e-06 5.565e-06 -5.275 -5.255 0.021 CaCO3 5.304e-06 5.565e-06 -5.275 -5.255 0.021 (0)
CaOH+ 8.774e-09 6.537e-09 -8.057 -8.185 -0.128 CaOH+ 8.774e-09 6.537e-09 -8.057 -8.185 -0.128 (0)
CaHSO4+ 7.734e-10 5.762e-10 -9.112 -9.239 -0.128 CaHSO4+ 7.734e-10 5.762e-10 -9.112 -9.239 -0.128 (0)
Cl 1.697e-01 Cl 1.697e-01
Cl- 1.697e-01 1.203e-01 -0.770 -0.920 -0.149 Cl- 1.697e-01 1.203e-01 -0.770 -0.920 -0.149 18.03
H(0) 3.726e-39 H(0) 3.726e-39
H2 1.863e-39 1.955e-39 -38.730 -38.709 0.021 H2 1.863e-39 1.955e-39 -38.730 -38.709 0.021 (0)
K 3.173e-03 K 3.173e-03
K+ 3.140e-03 2.225e-03 -2.503 -2.653 -0.149 K+ 3.140e-03 2.225e-03 -2.503 -2.653 -0.149 9.24
KSO4- 3.381e-05 2.519e-05 -4.471 -4.599 -0.128 KSO4- 3.381e-05 2.519e-05 -4.471 -4.599 -0.128 (0)
KOH 8.319e-11 8.729e-11 -10.080 -10.059 0.021 KOH 8.319e-11 8.729e-11 -10.080 -10.059 0.021 (0)
Mg 8.585e-03 Mg 8.585e-03
Mg+2 7.582e-03 2.579e-03 -2.120 -2.588 -0.468 Mg+2 7.582e-03 2.579e-03 -2.120 -2.588 -0.468 -20.30
MgSO4 9.283e-04 9.740e-04 -3.032 -3.011 0.021 MgSO4 9.283e-04 9.740e-04 -3.032 -3.011 0.021 (0)
MgHCO3+ 7.221e-05 5.380e-05 -4.141 -4.269 -0.128 MgHCO3+ 7.221e-05 5.380e-05 -4.141 -4.269 -0.128 (0)
MgCO3 2.232e-06 2.341e-06 -5.651 -5.631 0.021 MgCO3 2.232e-06 2.341e-06 -5.651 -5.631 0.021 (0)
MgOH+ 1.422e-07 1.059e-07 -6.847 -6.975 -0.128 MgOH+ 1.422e-07 1.059e-07 -6.847 -6.975 -0.128 (0)
Na 1.456e-01 Na 1.456e-01
Na+ 1.444e-01 1.071e-01 -0.841 -0.970 -0.130 Na+ 1.444e-01 1.071e-01 -0.841 -0.970 -0.130 -1.00
NaSO4- 1.160e-03 8.644e-04 -2.935 -3.063 -0.128 NaSO4- 1.160e-03 8.644e-04 -2.935 -3.063 -0.128 (0)
NaHCO3 1.023e-04 1.073e-04 -3.990 -3.969 0.021 NaHCO3 1.023e-04 1.073e-04 -3.990 -3.969 0.021 (0)
NaCO3- 2.546e-06 1.897e-06 -5.594 -5.722 -0.128 NaCO3- 2.546e-06 1.897e-06 -5.594 -5.722 -0.128 (0)
NaOH 7.627e-09 8.002e-09 -8.118 -8.097 0.021 NaOH 7.627e-09 8.002e-09 -8.118 -8.097 0.021 (0)
O(0) 2.055e-15 O(0) 2.055e-15
O2 1.027e-15 1.078e-15 -14.988 -14.967 0.021 O2 1.027e-15 1.078e-15 -14.988 -14.967 0.021 (0)
S(-2) 0.000e+00 S(-2) 0.000e+00
HS- 0.000e+00 0.000e+00 -118.272 -118.424 -0.153 HS- 0.000e+00 0.000e+00 -118.272 -118.424 -0.153 (0)
H2S 0.000e+00 0.000e+00 -118.560 -118.539 0.021 H2S 0.000e+00 0.000e+00 -118.560 -118.539 0.021 (0)
S-2 0.000e+00 0.000e+00 -123.754 -124.286 -0.532 S-2 0.000e+00 0.000e+00 -123.754 -124.286 -0.532 (0)
S(6) 8.777e-03 S(6) 8.777e-03
SO4-2 5.588e-03 1.611e-03 -2.253 -2.793 -0.540 SO4-2 5.588e-03 1.611e-03 -2.253 -2.793 -0.540 14.83
NaSO4- 1.160e-03 8.644e-04 -2.935 -3.063 -0.128 NaSO4- 1.160e-03 8.644e-04 -2.935 -3.063 -0.128 (0)
CaSO4 1.067e-03 1.119e-03 -2.972 -2.951 0.021 CaSO4 1.067e-03 1.119e-03 -2.972 -2.951 0.021 (0)
MgSO4 9.283e-04 9.740e-04 -3.032 -3.011 0.021 MgSO4 9.283e-04 9.740e-04 -3.032 -3.011 0.021 (0)
KSO4- 3.381e-05 2.519e-05 -4.471 -4.599 -0.128 KSO4- 3.381e-05 2.519e-05 -4.471 -4.599 -0.128 (0)
HSO4- 1.847e-08 1.376e-08 -7.733 -7.861 -0.128 HSO4- 1.847e-08 1.376e-08 -7.733 -7.861 -0.128 (0)
CaHSO4+ 7.734e-10 5.762e-10 -9.112 -9.239 -0.128 CaHSO4+ 7.734e-10 5.762e-10 -9.112 -9.239 -0.128 (0)
Si 2.215e-05 Si 2.215e-05
H4SiO4 2.210e-05 2.318e-05 -4.656 -4.635 0.021 H4SiO4 2.210e-05 2.318e-05 -4.656 -4.635 0.021 56.00
H3SiO4- 5.221e-08 3.890e-08 -7.282 -7.410 -0.128 H3SiO4- 5.221e-08 3.890e-08 -7.282 -7.410 -0.128 (0)
H2SiO4-2 9.772e-14 3.011e-14 -13.010 -13.521 -0.511 H2SiO4-2 9.772e-14 3.011e-14 -13.010 -13.521 -0.511 (0)
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
@ -702,69 +702,69 @@ Calcite -0.00 -8.48 -8.48 1.000e+01 1.000e+01 -3.992e-05
----------------------------Distribution of species---------------------------- ----------------------------Distribution of species----------------------------
Log Log Log Log Log Log mole V
Species Molality Activity Molality Activity Gamma Species Molality Activity Molality Activity Gamma cm3/mol
OH- 3.915e-07 2.755e-07 -6.407 -6.560 -0.153 OH- 3.915e-07 2.755e-07 -6.407 -6.560 -0.153 (0)
H+ 4.537e-08 3.612e-08 -7.343 -7.442 -0.099 H+ 4.537e-08 3.612e-08 -7.343 -7.442 -0.099 0.00
H2O 5.551e+01 9.941e-01 1.744 -0.003 0.000 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 -121.635 -121.614 0.021 CH4 0.000e+00 0.000e+00 -121.635 -121.614 0.021 (0)
C(4) 3.229e-03 C(4) 3.229e-03
HCO3- 2.721e-03 2.024e-03 -2.565 -2.694 -0.129 HCO3- 2.721e-03 2.024e-03 -2.565 -2.694 -0.129 24.50
MgHCO3+ 1.579e-04 1.176e-04 -3.802 -3.930 -0.128 MgHCO3+ 1.579e-04 1.176e-04 -3.802 -3.930 -0.128 (0)
CO2 1.576e-04 1.653e-04 -3.803 -3.782 0.021 CO2 1.576e-04 1.653e-04 -3.803 -3.782 0.021 (0)
NaHCO3 1.161e-04 1.219e-04 -3.935 -3.914 0.021 NaHCO3 1.161e-04 1.219e-04 -3.935 -3.914 0.021 (0)
CaHCO3+ 4.376e-05 3.255e-05 -4.359 -4.487 -0.129 CaHCO3+ 4.376e-05 3.255e-05 -4.359 -4.487 -0.129 (0)
MgCO3 1.187e-05 1.245e-05 -4.926 -4.905 0.021 MgCO3 1.187e-05 1.245e-05 -4.926 -4.905 0.021 (0)
CO3-2 8.587e-06 2.628e-06 -5.066 -5.580 -0.514 CO3-2 8.587e-06 2.628e-06 -5.066 -5.580 -0.514 -2.93
NaCO3- 7.033e-06 5.240e-06 -5.153 -5.281 -0.128 NaCO3- 7.033e-06 5.240e-06 -5.153 -5.281 -0.128 (0)
CaCO3 5.304e-06 5.565e-06 -5.275 -5.255 0.021 CaCO3 5.304e-06 5.565e-06 -5.275 -5.255 0.021 (0)
Ca 4.390e-03 Ca 4.390e-03
Ca+2 3.963e-03 1.261e-03 -2.402 -2.899 -0.497 Ca+2 3.963e-03 1.261e-03 -2.402 -2.899 -0.497 -16.98
CaSO4 3.784e-04 3.971e-04 -3.422 -3.401 0.021 CaSO4 3.784e-04 3.971e-04 -3.422 -3.401 0.021 (0)
CaHCO3+ 4.376e-05 3.255e-05 -4.359 -4.487 -0.129 CaHCO3+ 4.376e-05 3.255e-05 -4.359 -4.487 -0.129 (0)
CaCO3 5.304e-06 5.565e-06 -5.275 -5.255 0.021 CaCO3 5.304e-06 5.565e-06 -5.275 -5.255 0.021 (0)
CaOH+ 7.728e-09 5.758e-09 -8.112 -8.240 -0.128 CaOH+ 7.728e-09 5.758e-09 -8.112 -8.240 -0.128 (0)
CaHSO4+ 1.128e-10 8.402e-11 -9.948 -10.076 -0.128 CaHSO4+ 1.128e-10 8.402e-11 -9.948 -10.076 -0.128 (0)
Cl 1.697e-01 Cl 1.697e-01
Cl- 1.697e-01 1.203e-01 -0.770 -0.920 -0.149 Cl- 1.697e-01 1.203e-01 -0.770 -0.920 -0.149 18.03
H(0) 3.743e-39 H(0) 3.743e-39
H2 1.871e-39 1.963e-39 -38.728 -38.707 0.021 H2 1.871e-39 1.963e-39 -38.728 -38.707 0.021 (0)
K 3.173e-03 K 3.173e-03
K+ 3.140e-03 2.226e-03 -2.503 -2.652 -0.149 K+ 3.140e-03 2.226e-03 -2.503 -2.652 -0.149 9.24
KSO4- 3.314e-05 2.469e-05 -4.480 -4.607 -0.128 KSO4- 3.314e-05 2.469e-05 -4.480 -4.607 -0.128 (0)
KOH 2.025e-10 2.124e-10 -9.694 -9.673 0.021 KOH 2.025e-10 2.124e-10 -9.694 -9.673 0.021 (0)
Mg 1.652e-02 Mg 1.652e-02
Mg+2 1.460e-02 4.966e-03 -1.836 -2.304 -0.468 Mg+2 1.460e-02 4.966e-03 -1.836 -2.304 -0.468 -20.30
MgSO4 1.752e-03 1.838e-03 -2.757 -2.736 0.021 MgSO4 1.752e-03 1.838e-03 -2.757 -2.736 0.021 (0)
MgHCO3+ 1.579e-04 1.176e-04 -3.802 -3.930 -0.128 MgHCO3+ 1.579e-04 1.176e-04 -3.802 -3.930 -0.128 (0)
MgCO3 1.187e-05 1.245e-05 -4.926 -4.905 0.021 MgCO3 1.187e-05 1.245e-05 -4.926 -4.905 0.021 (0)
MgOH+ 6.661e-07 4.963e-07 -6.176 -6.304 -0.128 MgOH+ 6.661e-07 4.963e-07 -6.176 -6.304 -0.128 (0)
Na 1.456e-01 Na 1.456e-01
Na+ 1.444e-01 1.071e-01 -0.841 -0.970 -0.130 Na+ 1.444e-01 1.071e-01 -0.841 -0.970 -0.130 -1.00
NaSO4- 1.137e-03 8.472e-04 -2.944 -3.072 -0.128 NaSO4- 1.137e-03 8.472e-04 -2.944 -3.072 -0.128 (0)
NaHCO3 1.161e-04 1.219e-04 -3.935 -3.914 0.021 NaHCO3 1.161e-04 1.219e-04 -3.935 -3.914 0.021 (0)
NaCO3- 7.033e-06 5.240e-06 -5.153 -5.281 -0.128 NaCO3- 7.033e-06 5.240e-06 -5.153 -5.281 -0.128 (0)
NaOH 1.856e-08 1.947e-08 -7.731 -7.711 0.021 NaOH 1.856e-08 1.947e-08 -7.731 -7.711 0.021 (0)
O(0) 2.037e-15 O(0) 2.037e-15
O2 1.018e-15 1.069e-15 -14.992 -14.971 0.021 O2 1.018e-15 1.069e-15 -14.992 -14.971 0.021 (0)
S(-2) 0.000e+00 S(-2) 0.000e+00
HS- 0.000e+00 0.000e+00 -118.659 -118.812 -0.153 HS- 0.000e+00 0.000e+00 -118.659 -118.812 -0.153 (0)
H2S 0.000e+00 0.000e+00 -119.333 -119.312 0.021 H2S 0.000e+00 0.000e+00 -119.333 -119.312 0.021 (0)
S-2 0.000e+00 0.000e+00 -123.755 -124.287 -0.532 S-2 0.000e+00 0.000e+00 -123.755 -124.287 -0.532 (0)
S(6) 8.777e-03 S(6) 8.777e-03
SO4-2 5.477e-03 1.579e-03 -2.261 -2.802 -0.540 SO4-2 5.477e-03 1.579e-03 -2.261 -2.802 -0.540 14.83
MgSO4 1.752e-03 1.838e-03 -2.757 -2.736 0.021 MgSO4 1.752e-03 1.838e-03 -2.757 -2.736 0.021 (0)
NaSO4- 1.137e-03 8.472e-04 -2.944 -3.072 -0.128 NaSO4- 1.137e-03 8.472e-04 -2.944 -3.072 -0.128 (0)
CaSO4 3.784e-04 3.971e-04 -3.422 -3.401 0.021 CaSO4 3.784e-04 3.971e-04 -3.422 -3.401 0.021 (0)
KSO4- 3.314e-05 2.469e-05 -4.480 -4.607 -0.128 KSO4- 3.314e-05 2.469e-05 -4.480 -4.607 -0.128 (0)
HSO4- 7.441e-09 5.544e-09 -8.128 -8.256 -0.128 HSO4- 7.441e-09 5.544e-09 -8.128 -8.256 -0.128 (0)
CaHSO4+ 1.128e-10 8.402e-11 -9.948 -10.076 -0.128 CaHSO4+ 1.128e-10 8.402e-11 -9.948 -10.076 -0.128 (0)
Si 2.215e-05 Si 2.215e-05
H4SiO4 2.202e-05 2.311e-05 -4.657 -4.636 0.021 H4SiO4 2.202e-05 2.311e-05 -4.657 -4.636 0.021 56.00
H3SiO4- 1.266e-07 9.432e-08 -6.898 -7.025 -0.128 H3SiO4- 1.266e-07 9.432e-08 -6.898 -7.025 -0.128 (0)
H2SiO4-2 5.766e-13 1.776e-13 -12.239 -12.750 -0.511 H2SiO4-2 5.766e-13 1.776e-13 -12.239 -12.750 -0.511 (0)
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------

394
ex4.out
View File

@ -90,66 +90,66 @@ Initial solution 1. Precipitation from Central Oklahoma
----------------------------Distribution of species---------------------------- ----------------------------Distribution of species----------------------------
Log Log Log Log Log Log mole V
Species Molality Activity Molality Activity Gamma Species Molality Activity Molality Activity Gamma cm3/mol
H+ 3.196e-05 3.162e-05 -4.495 -4.500 -0.005 H+ 3.196e-05 3.162e-05 -4.495 -4.500 -0.005 0.00
OH- 3.200e-10 3.166e-10 -9.495 -9.500 -0.005 OH- 3.200e-10 3.166e-10 -9.495 -9.500 -0.005 (0)
H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07
C(4) 1.092e-05 C(4) 1.092e-05
CO2 1.077e-05 1.077e-05 -4.968 -4.968 0.000 CO2 1.077e-05 1.077e-05 -4.968 -4.968 0.000 (0)
HCO3- 1.531e-07 1.514e-07 -6.815 -6.820 -0.005 HCO3- 1.531e-07 1.514e-07 -6.815 -6.820 -0.005 24.29
CaHCO3+ 1.787e-11 1.768e-11 -10.748 -10.753 -0.005 CaHCO3+ 1.787e-11 1.768e-11 -10.748 -10.753 -0.005 (0)
MgHCO3+ 3.025e-12 2.992e-12 -11.519 -11.524 -0.005 MgHCO3+ 3.025e-12 2.992e-12 -11.519 -11.524 -0.005 (0)
NaHCO3 5.166e-13 5.166e-13 -12.287 -12.287 0.000 NaHCO3 5.166e-13 5.166e-13 -12.287 -12.287 0.000 (0)
CO3-2 2.345e-13 2.246e-13 -12.630 -12.649 -0.019 CO3-2 2.345e-13 2.246e-13 -12.630 -12.649 -0.019 -3.78
CaCO3 3.452e-15 3.452e-15 -14.462 -14.462 0.000 CaCO3 3.452e-15 3.452e-15 -14.462 -14.462 0.000 (0)
MgCO3 3.619e-16 3.619e-16 -15.441 -15.441 0.000 MgCO3 3.619e-16 3.619e-16 -15.441 -15.441 0.000 (0)
NaCO3- 2.565e-17 2.537e-17 -16.591 -16.596 -0.005 NaCO3- 2.565e-17 2.537e-17 -16.591 -16.596 -0.005 (0)
Ca 9.581e-06 Ca 9.581e-06
Ca+2 9.557e-06 9.151e-06 -5.020 -5.039 -0.019 Ca+2 9.557e-06 9.151e-06 -5.020 -5.039 -0.019 -17.83
CaSO4 2.353e-08 2.353e-08 -7.628 -7.628 0.000 CaSO4 2.353e-08 2.353e-08 -7.628 -7.628 0.000 (0)
CaHCO3+ 1.787e-11 1.768e-11 -10.748 -10.753 -0.005 CaHCO3+ 1.787e-11 1.768e-11 -10.748 -10.753 -0.005 (0)
CaHSO4+ 4.408e-12 4.360e-12 -11.356 -11.361 -0.005 CaHSO4+ 4.408e-12 4.360e-12 -11.356 -11.361 -0.005 (0)
CaOH+ 4.855e-14 4.803e-14 -13.314 -13.319 -0.005 CaOH+ 4.855e-14 4.803e-14 -13.314 -13.319 -0.005 (0)
CaCO3 3.452e-15 3.452e-15 -14.462 -14.462 0.000 CaCO3 3.452e-15 3.452e-15 -14.462 -14.462 0.000 (0)
Cl 6.657e-06 Cl 6.657e-06
Cl- 6.657e-06 6.585e-06 -5.177 -5.181 -0.005 Cl- 6.657e-06 6.585e-06 -5.177 -5.181 -0.005 17.82
H(0) 1.416e-20 H(0) 1.416e-20
H2 7.079e-21 7.079e-21 -20.150 -20.150 0.000 H2 7.079e-21 7.079e-21 -20.150 -20.150 0.000 (0)
K 9.207e-07 K 9.207e-07
K+ 9.206e-07 9.106e-07 -6.036 -6.041 -0.005 K+ 9.206e-07 9.106e-07 -6.036 -6.041 -0.005 9.03
KSO4- 8.337e-11 8.247e-11 -10.079 -10.084 -0.005 KSO4- 8.337e-11 8.247e-11 -10.079 -10.084 -0.005 (0)
KOH 9.984e-17 9.985e-17 -16.001 -16.001 0.000 KOH 9.984e-17 9.985e-17 -16.001 -16.001 0.000 (0)
Mg 1.769e-06 Mg 1.769e-06
Mg+2 1.764e-06 1.689e-06 -5.754 -5.772 -0.019 Mg+2 1.764e-06 1.689e-06 -5.754 -5.772 -0.019 -21.15
MgSO4 5.103e-09 5.103e-09 -8.292 -8.292 0.000 MgSO4 5.103e-09 5.103e-09 -8.292 -8.292 0.000 (0)
MgHCO3+ 3.025e-12 2.992e-12 -11.519 -11.524 -0.005 MgHCO3+ 3.025e-12 2.992e-12 -11.519 -11.524 -0.005 (0)
MgOH+ 1.960e-13 1.939e-13 -12.708 -12.712 -0.005 MgOH+ 1.960e-13 1.939e-13 -12.708 -12.712 -0.005 (0)
MgCO3 3.619e-16 3.619e-16 -15.441 -15.441 0.000 MgCO3 3.619e-16 3.619e-16 -15.441 -15.441 0.000 (0)
N(-3) 1.485e-05 N(-3) 1.485e-05
NH4+ 1.485e-05 1.469e-05 -4.828 -4.833 -0.005 NH4+ 1.485e-05 1.469e-05 -4.828 -4.833 -0.005 17.86
NH4SO4- 2.465e-09 2.438e-09 -8.608 -8.613 -0.005 NH4SO4- 2.465e-09 2.438e-09 -8.608 -8.613 -0.005 (0)
NH3 2.646e-10 2.647e-10 -9.577 -9.577 0.000 NH3 2.646e-10 2.647e-10 -9.577 -9.577 0.000 (0)
N(5) 1.692e-05 N(5) 1.692e-05
NO3- 1.692e-05 1.674e-05 -4.772 -4.776 -0.005 NO3- 1.692e-05 1.674e-05 -4.772 -4.776 -0.005 28.99
Na 6.133e-06 Na 6.133e-06
Na+ 6.133e-06 6.066e-06 -5.212 -5.217 -0.005 Na+ 6.133e-06 6.066e-06 -5.212 -5.217 -0.005 -1.21
NaSO4- 3.962e-10 3.919e-10 -9.402 -9.407 -0.005 NaSO4- 3.962e-10 3.919e-10 -9.402 -9.407 -0.005 (0)
NaHCO3 5.166e-13 5.166e-13 -12.287 -12.287 0.000 NaHCO3 5.166e-13 5.166e-13 -12.287 -12.287 0.000 (0)
NaOH 1.267e-15 1.267e-15 -14.897 -14.897 0.000 NaOH 1.267e-15 1.267e-15 -14.897 -14.897 0.000 (0)
NaCO3- 2.565e-17 2.537e-17 -16.591 -16.596 -0.005 NaCO3- 2.565e-17 2.537e-17 -16.591 -16.596 -0.005 (0)
O(0) 0.000e+00 O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -52.080 -52.080 0.000 O2 0.000e+00 0.000e+00 -52.080 -52.080 0.000 (0)
S(6) 1.353e-05 S(6) 1.353e-05
SO4-2 1.346e-05 1.289e-05 -4.871 -4.890 -0.019 SO4-2 1.346e-05 1.289e-05 -4.871 -4.890 -0.019 13.98
HSO4- 4.006e-08 3.963e-08 -7.397 -7.402 -0.005 HSO4- 4.006e-08 3.963e-08 -7.397 -7.402 -0.005 (0)
CaSO4 2.353e-08 2.353e-08 -7.628 -7.628 0.000 CaSO4 2.353e-08 2.353e-08 -7.628 -7.628 0.000 (0)
MgSO4 5.103e-09 5.103e-09 -8.292 -8.292 0.000 MgSO4 5.103e-09 5.103e-09 -8.292 -8.292 0.000 (0)
NH4SO4- 2.465e-09 2.438e-09 -8.608 -8.613 -0.005 NH4SO4- 2.465e-09 2.438e-09 -8.608 -8.613 -0.005 (0)
NaSO4- 3.962e-10 3.919e-10 -9.402 -9.407 -0.005 NaSO4- 3.962e-10 3.919e-10 -9.402 -9.407 -0.005 (0)
KSO4- 8.337e-11 8.247e-11 -10.079 -10.084 -0.005 KSO4- 8.337e-11 8.247e-11 -10.079 -10.084 -0.005 (0)
CaHSO4+ 4.408e-12 4.360e-12 -11.356 -11.361 -0.005 CaHSO4+ 4.408e-12 4.360e-12 -11.356 -11.361 -0.005 (0)
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
@ -224,76 +224,76 @@ Reaction 1.
----------------------------Distribution of species---------------------------- ----------------------------Distribution of species----------------------------
Log Log Log Log Log Log mole V
Species Molality Activity Molality Activity Gamma Species Molality Activity Molality Activity Gamma cm3/mol
H+ 7.406e-04 7.108e-04 -3.130 -3.148 -0.018 H+ 7.406e-04 7.108e-04 -3.130 -3.148 -0.018 0.00
OH- 1.472e-11 1.408e-11 -10.832 -10.851 -0.019 OH- 1.472e-11 1.408e-11 -10.832 -10.851 -0.019 (0)
H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 H2O 5.551e+01 1.000e+00 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 -136.693 -136.693 0.000 CH4 0.000e+00 0.000e+00 -136.693 -136.693 0.000 (0)
C(4) 2.183e-04 C(4) 2.183e-04
CO2 2.182e-04 2.182e-04 -3.661 -3.661 0.000 CO2 2.182e-04 2.182e-04 -3.661 -3.661 0.000 (0)
HCO3- 1.425e-07 1.366e-07 -6.846 -6.865 -0.019 HCO3- 1.425e-07 1.366e-07 -6.846 -6.865 -0.019 24.29
CaHCO3+ 2.834e-10 2.715e-10 -9.548 -9.566 -0.019 CaHCO3+ 2.834e-10 2.715e-10 -9.548 -9.566 -0.019 (0)
MgHCO3+ 4.780e-11 4.576e-11 -10.321 -10.340 -0.019 MgHCO3+ 4.780e-11 4.576e-11 -10.321 -10.340 -0.019 (0)
NaHCO3 9.005e-12 9.008e-12 -11.046 -11.045 0.000 NaHCO3 9.005e-12 9.008e-12 -11.046 -11.045 0.000 (0)
CO3-2 1.070e-14 9.010e-15 -13.971 -14.045 -0.074 CO3-2 1.070e-14 9.010e-15 -13.971 -14.045 -0.074 -3.77
CaCO3 2.358e-15 2.359e-15 -14.627 -14.627 0.000 CaCO3 2.358e-15 2.359e-15 -14.627 -14.627 0.000 (0)
MgCO3 2.461e-16 2.462e-16 -15.609 -15.609 0.000 MgCO3 2.461e-16 2.462e-16 -15.609 -15.609 0.000 (0)
NaCO3- 2.056e-17 1.968e-17 -16.687 -16.706 -0.019 NaCO3- 2.056e-17 1.968e-17 -16.687 -16.706 -0.019 (0)
Ca 1.916e-04 Ca 1.916e-04
Ca+2 1.851e-04 1.559e-04 -3.733 -3.807 -0.075 Ca+2 1.851e-04 1.559e-04 -3.733 -3.807 -0.075 -17.82
CaSO4 6.474e-06 6.477e-06 -5.189 -5.189 0.000 CaSO4 6.474e-06 6.477e-06 -5.189 -5.189 0.000 (0)
CaHSO4+ 2.817e-08 2.697e-08 -7.550 -7.569 -0.019 CaHSO4+ 2.817e-08 2.697e-08 -7.550 -7.569 -0.019 (0)
CaHCO3+ 2.834e-10 2.715e-10 -9.548 -9.566 -0.019 CaHCO3+ 2.834e-10 2.715e-10 -9.548 -9.566 -0.019 (0)
CaOH+ 3.801e-14 3.639e-14 -13.420 -13.439 -0.019 CaOH+ 3.801e-14 3.639e-14 -13.420 -13.439 -0.019 (0)
CaCO3 2.358e-15 2.359e-15 -14.627 -14.627 0.000 CaCO3 2.358e-15 2.359e-15 -14.627 -14.627 0.000 (0)
Cl 1.331e-04 Cl 1.331e-04
Cl- 1.331e-04 1.274e-04 -3.876 -3.895 -0.019 Cl- 1.331e-04 1.274e-04 -3.876 -3.895 -0.019 17.82
H(0) 0.000e+00 H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -42.506 -42.506 0.000 H2 0.000e+00 0.000e+00 -42.506 -42.506 0.000 (0)
K 1.841e-05 K 1.841e-05
K+ 1.838e-05 1.759e-05 -4.736 -4.755 -0.019 K+ 1.838e-05 1.759e-05 -4.736 -4.755 -0.019 9.03
KSO4- 2.689e-08 2.575e-08 -7.570 -7.589 -0.019 KSO4- 2.689e-08 2.575e-08 -7.570 -7.589 -0.019 (0)
KOH 8.579e-17 8.582e-17 -16.067 -16.066 0.000 KOH 8.579e-17 8.582e-17 -16.067 -16.066 0.000 (0)
Mg 3.536e-05 Mg 3.536e-05
Mg+2 3.396e-05 2.864e-05 -4.469 -4.543 -0.074 Mg+2 3.396e-05 2.864e-05 -4.469 -4.543 -0.074 -21.14
MgSO4 1.398e-06 1.398e-06 -5.855 -5.854 0.000 MgSO4 1.398e-06 1.398e-06 -5.855 -5.854 0.000 (0)
MgHCO3+ 4.780e-11 4.576e-11 -10.321 -10.340 -0.019 MgHCO3+ 4.780e-11 4.576e-11 -10.321 -10.340 -0.019 (0)
MgOH+ 1.528e-13 1.463e-13 -12.816 -12.835 -0.019 MgOH+ 1.528e-13 1.463e-13 -12.816 -12.835 -0.019 (0)
MgCO3 2.461e-16 2.462e-16 -15.609 -15.609 0.000 MgCO3 2.461e-16 2.462e-16 -15.609 -15.609 0.000 (0)
N(-3) 0.000e+00 N(-3) 0.000e+00
NH4+ 0.000e+00 0.000e+00 -48.438 -48.457 -0.019 NH4+ 0.000e+00 0.000e+00 -48.438 -48.457 -0.019 17.86
NH4SO4- 0.000e+00 0.000e+00 -51.009 -51.028 -0.019 NH4SO4- 0.000e+00 0.000e+00 -51.009 -51.028 -0.019 (0)
NH3 0.000e+00 0.000e+00 -54.553 -54.553 0.000 NH3 0.000e+00 0.000e+00 -54.553 -54.553 0.000 (0)
N(0) 4.751e-04 N(0) 4.751e-04
N2 2.375e-04 2.376e-04 -3.624 -3.624 0.000 N2 2.375e-04 2.376e-04 -3.624 -3.624 0.000 (0)
N(3) 2.623e-15 N(3) 2.623e-15
NO2- 2.623e-15 2.510e-15 -14.581 -14.600 -0.019 NO2- 2.623e-15 2.510e-15 -14.581 -14.600 -0.019 (0)
N(5) 1.601e-04 N(5) 1.601e-04
NO3- 1.601e-04 1.532e-04 -3.796 -3.815 -0.019 NO3- 1.601e-04 1.532e-04 -3.796 -3.815 -0.019 28.99
Na 1.226e-04 Na 1.226e-04
Na+ 1.225e-04 1.173e-04 -3.912 -3.931 -0.019 Na+ 1.225e-04 1.173e-04 -3.912 -3.931 -0.019 -1.21
NaSO4- 1.279e-07 1.224e-07 -6.893 -6.912 -0.019 NaSO4- 1.279e-07 1.224e-07 -6.893 -6.912 -0.019 (0)
NaHCO3 9.005e-12 9.008e-12 -11.046 -11.045 0.000 NaHCO3 9.005e-12 9.008e-12 -11.046 -11.045 0.000 (0)
NaOH 1.090e-15 1.090e-15 -14.963 -14.962 0.000 NaOH 1.090e-15 1.090e-15 -14.963 -14.962 0.000 (0)
NaCO3- 2.056e-17 1.968e-17 -16.687 -16.706 -0.019 NaCO3- 2.056e-17 1.968e-17 -16.687 -16.706 -0.019 (0)
O(0) 8.553e-08 O(0) 8.553e-08
O2 4.277e-08 4.278e-08 -7.369 -7.369 0.000 O2 4.277e-08 4.278e-08 -7.369 -7.369 0.000 (0)
S(-2) 0.000e+00 S(-2) 0.000e+00
H2S 0.000e+00 0.000e+00 -126.809 -126.809 0.000 H2S 0.000e+00 0.000e+00 -126.809 -126.809 0.000 (0)
HS- 0.000e+00 0.000e+00 -130.583 -130.602 -0.019 HS- 0.000e+00 0.000e+00 -130.583 -130.602 -0.019 (0)
S-2 0.000e+00 0.000e+00 -140.297 -140.372 -0.075 S-2 0.000e+00 0.000e+00 -140.297 -140.372 -0.075 (0)
S(6) 2.706e-04 S(6) 2.706e-04
SO4-2 2.475e-04 2.083e-04 -3.606 -3.681 -0.075 SO4-2 2.475e-04 2.083e-04 -3.606 -3.681 -0.075 13.99
HSO4- 1.503e-05 1.439e-05 -4.823 -4.842 -0.019 HSO4- 1.503e-05 1.439e-05 -4.823 -4.842 -0.019 (0)
CaSO4 6.474e-06 6.477e-06 -5.189 -5.189 0.000 CaSO4 6.474e-06 6.477e-06 -5.189 -5.189 0.000 (0)
MgSO4 1.398e-06 1.398e-06 -5.855 -5.854 0.000 MgSO4 1.398e-06 1.398e-06 -5.855 -5.854 0.000 (0)
NaSO4- 1.279e-07 1.224e-07 -6.893 -6.912 -0.019 NaSO4- 1.279e-07 1.224e-07 -6.893 -6.912 -0.019 (0)
CaHSO4+ 2.817e-08 2.697e-08 -7.550 -7.569 -0.019 CaHSO4+ 2.817e-08 2.697e-08 -7.550 -7.569 -0.019 (0)
KSO4- 2.689e-08 2.575e-08 -7.570 -7.589 -0.019 KSO4- 2.689e-08 2.575e-08 -7.570 -7.589 -0.019 (0)
NH4SO4- 0.000e+00 0.000e+00 -51.009 -51.028 -0.019 NH4SO4- 0.000e+00 0.000e+00 -51.009 -51.028 -0.019 (0)
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
@ -380,76 +380,76 @@ Mixture 1.
----------------------------Distribution of species---------------------------- ----------------------------Distribution of species----------------------------
Log Log Log Log Log Log mole V
Species Molality Activity Molality Activity Gamma Species Molality Activity Molality Activity Gamma cm3/mol
H+ 7.406e-04 7.108e-04 -3.130 -3.148 -0.018 H+ 7.406e-04 7.108e-04 -3.130 -3.148 -0.018 0.00
OH- 1.472e-11 1.408e-11 -10.832 -10.851 -0.019 OH- 1.472e-11 1.408e-11 -10.832 -10.851 -0.019 (0)
H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 H2O 5.551e+01 1.000e+00 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 -136.693 -136.693 0.000 CH4 0.000e+00 0.000e+00 -136.693 -136.693 0.000 (0)
C(4) 2.183e-04 C(4) 2.183e-04
CO2 2.182e-04 2.182e-04 -3.661 -3.661 0.000 CO2 2.182e-04 2.182e-04 -3.661 -3.661 0.000 (0)
HCO3- 1.425e-07 1.366e-07 -6.846 -6.865 -0.019 HCO3- 1.425e-07 1.366e-07 -6.846 -6.865 -0.019 24.29
CaHCO3+ 2.834e-10 2.715e-10 -9.548 -9.566 -0.019 CaHCO3+ 2.834e-10 2.715e-10 -9.548 -9.566 -0.019 (0)
MgHCO3+ 4.780e-11 4.576e-11 -10.321 -10.340 -0.019 MgHCO3+ 4.780e-11 4.576e-11 -10.321 -10.340 -0.019 (0)
NaHCO3 9.005e-12 9.008e-12 -11.046 -11.045 0.000 NaHCO3 9.005e-12 9.008e-12 -11.046 -11.045 0.000 (0)
CO3-2 1.070e-14 9.010e-15 -13.971 -14.045 -0.074 CO3-2 1.070e-14 9.010e-15 -13.971 -14.045 -0.074 -3.77
CaCO3 2.358e-15 2.359e-15 -14.627 -14.627 0.000 CaCO3 2.358e-15 2.359e-15 -14.627 -14.627 0.000 (0)
MgCO3 2.461e-16 2.462e-16 -15.609 -15.609 0.000 MgCO3 2.461e-16 2.462e-16 -15.609 -15.609 0.000 (0)
NaCO3- 2.056e-17 1.968e-17 -16.687 -16.706 -0.019 NaCO3- 2.056e-17 1.968e-17 -16.687 -16.706 -0.019 (0)
Ca 1.916e-04 Ca 1.916e-04
Ca+2 1.851e-04 1.559e-04 -3.733 -3.807 -0.075 Ca+2 1.851e-04 1.559e-04 -3.733 -3.807 -0.075 -17.82
CaSO4 6.474e-06 6.477e-06 -5.189 -5.189 0.000 CaSO4 6.474e-06 6.477e-06 -5.189 -5.189 0.000 (0)
CaHSO4+ 2.817e-08 2.697e-08 -7.550 -7.569 -0.019 CaHSO4+ 2.817e-08 2.697e-08 -7.550 -7.569 -0.019 (0)
CaHCO3+ 2.834e-10 2.715e-10 -9.548 -9.566 -0.019 CaHCO3+ 2.834e-10 2.715e-10 -9.548 -9.566 -0.019 (0)
CaOH+ 3.801e-14 3.639e-14 -13.420 -13.439 -0.019 CaOH+ 3.801e-14 3.639e-14 -13.420 -13.439 -0.019 (0)
CaCO3 2.358e-15 2.359e-15 -14.627 -14.627 0.000 CaCO3 2.358e-15 2.359e-15 -14.627 -14.627 0.000 (0)
Cl 1.331e-04 Cl 1.331e-04
Cl- 1.331e-04 1.274e-04 -3.876 -3.895 -0.019 Cl- 1.331e-04 1.274e-04 -3.876 -3.895 -0.019 17.82
H(0) 0.000e+00 H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -42.506 -42.506 0.000 H2 0.000e+00 0.000e+00 -42.506 -42.506 0.000 (0)
K 1.841e-05 K 1.841e-05
K+ 1.838e-05 1.759e-05 -4.736 -4.755 -0.019 K+ 1.838e-05 1.759e-05 -4.736 -4.755 -0.019 9.03
KSO4- 2.689e-08 2.575e-08 -7.570 -7.589 -0.019 KSO4- 2.689e-08 2.575e-08 -7.570 -7.589 -0.019 (0)
KOH 8.579e-17 8.582e-17 -16.067 -16.066 0.000 KOH 8.579e-17 8.582e-17 -16.067 -16.066 0.000 (0)
Mg 3.536e-05 Mg 3.536e-05
Mg+2 3.396e-05 2.864e-05 -4.469 -4.543 -0.074 Mg+2 3.396e-05 2.864e-05 -4.469 -4.543 -0.074 -21.14
MgSO4 1.398e-06 1.398e-06 -5.855 -5.854 0.000 MgSO4 1.398e-06 1.398e-06 -5.855 -5.854 0.000 (0)
MgHCO3+ 4.780e-11 4.576e-11 -10.321 -10.340 -0.019 MgHCO3+ 4.780e-11 4.576e-11 -10.321 -10.340 -0.019 (0)
MgOH+ 1.528e-13 1.463e-13 -12.816 -12.835 -0.019 MgOH+ 1.528e-13 1.463e-13 -12.816 -12.835 -0.019 (0)
MgCO3 2.461e-16 2.462e-16 -15.609 -15.609 0.000 MgCO3 2.461e-16 2.462e-16 -15.609 -15.609 0.000 (0)
N(-3) 0.000e+00 N(-3) 0.000e+00
NH4+ 0.000e+00 0.000e+00 -48.438 -48.457 -0.019 NH4+ 0.000e+00 0.000e+00 -48.438 -48.457 -0.019 17.86
NH4SO4- 0.000e+00 0.000e+00 -51.009 -51.028 -0.019 NH4SO4- 0.000e+00 0.000e+00 -51.009 -51.028 -0.019 (0)
NH3 0.000e+00 0.000e+00 -54.553 -54.553 0.000 NH3 0.000e+00 0.000e+00 -54.553 -54.553 0.000 (0)
N(0) 4.751e-04 N(0) 4.751e-04
N2 2.375e-04 2.376e-04 -3.624 -3.624 0.000 N2 2.375e-04 2.376e-04 -3.624 -3.624 0.000 (0)
N(3) 2.623e-15 N(3) 2.623e-15
NO2- 2.623e-15 2.510e-15 -14.581 -14.600 -0.019 NO2- 2.623e-15 2.510e-15 -14.581 -14.600 -0.019 (0)
N(5) 1.601e-04 N(5) 1.601e-04
NO3- 1.601e-04 1.532e-04 -3.796 -3.815 -0.019 NO3- 1.601e-04 1.532e-04 -3.796 -3.815 -0.019 28.99
Na 1.226e-04 Na 1.226e-04
Na+ 1.225e-04 1.173e-04 -3.912 -3.931 -0.019 Na+ 1.225e-04 1.173e-04 -3.912 -3.931 -0.019 -1.21
NaSO4- 1.279e-07 1.224e-07 -6.893 -6.912 -0.019 NaSO4- 1.279e-07 1.224e-07 -6.893 -6.912 -0.019 (0)
NaHCO3 9.005e-12 9.008e-12 -11.046 -11.045 0.000 NaHCO3 9.005e-12 9.008e-12 -11.046 -11.045 0.000 (0)
NaOH 1.090e-15 1.090e-15 -14.963 -14.962 0.000 NaOH 1.090e-15 1.090e-15 -14.963 -14.962 0.000 (0)
NaCO3- 2.056e-17 1.968e-17 -16.687 -16.706 -0.019 NaCO3- 2.056e-17 1.968e-17 -16.687 -16.706 -0.019 (0)
O(0) 8.553e-08 O(0) 8.553e-08
O2 4.277e-08 4.278e-08 -7.369 -7.369 0.000 O2 4.277e-08 4.278e-08 -7.369 -7.369 0.000 (0)
S(-2) 0.000e+00 S(-2) 0.000e+00
H2S 0.000e+00 0.000e+00 -126.809 -126.809 0.000 H2S 0.000e+00 0.000e+00 -126.809 -126.809 0.000 (0)
HS- 0.000e+00 0.000e+00 -130.583 -130.602 -0.019 HS- 0.000e+00 0.000e+00 -130.583 -130.602 -0.019 (0)
S-2 0.000e+00 0.000e+00 -140.297 -140.372 -0.075 S-2 0.000e+00 0.000e+00 -140.297 -140.372 -0.075 (0)
S(6) 2.706e-04 S(6) 2.706e-04
SO4-2 2.475e-04 2.083e-04 -3.606 -3.681 -0.075 SO4-2 2.475e-04 2.083e-04 -3.606 -3.681 -0.075 13.99
HSO4- 1.503e-05 1.439e-05 -4.823 -4.842 -0.019 HSO4- 1.503e-05 1.439e-05 -4.823 -4.842 -0.019 (0)
CaSO4 6.474e-06 6.477e-06 -5.189 -5.189 0.000 CaSO4 6.474e-06 6.477e-06 -5.189 -5.189 0.000 (0)
MgSO4 1.398e-06 1.398e-06 -5.855 -5.854 0.000 MgSO4 1.398e-06 1.398e-06 -5.855 -5.854 0.000 (0)
NaSO4- 1.279e-07 1.224e-07 -6.893 -6.912 -0.019 NaSO4- 1.279e-07 1.224e-07 -6.893 -6.912 -0.019 (0)
CaHSO4+ 2.817e-08 2.697e-08 -7.550 -7.569 -0.019 CaHSO4+ 2.817e-08 2.697e-08 -7.550 -7.569 -0.019 (0)
KSO4- 2.689e-08 2.575e-08 -7.570 -7.589 -0.019 KSO4- 2.689e-08 2.575e-08 -7.570 -7.589 -0.019 (0)
NH4SO4- 0.000e+00 0.000e+00 -51.009 -51.028 -0.019 NH4SO4- 0.000e+00 0.000e+00 -51.009 -51.028 -0.019 (0)
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------

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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 -1.5000 -20.8396 -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 -1.5000 -20.8396 -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 -0.4403 -3.8960 -8.3808 1.1000e+00 1.0000e-25 2.2242e-24 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 2 react 1.0000e-03 -1.3544 -0.4403 -3.8960 -8.3808 1.1000e+00 1.0000e-25 3.0000e-27 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00
2 react 2.0000e-03 -1.2454 -0.1393 -3.6435 -8.1826 1.1000e+00 1.0000e-25 2.2242e-24 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 2 react 2.0000e-03 -1.2454 -0.1393 -3.6435 -8.1826 1.1000e+00 1.0000e-25 3.0000e-27 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00
2 react 3.0000e-03 -1.1598 -0.0002 -3.4911 -8.0863 1.1000e+00 1.3481e-04 2.9985e-03 8.4834e-06 1.2250e-04 3.9560e-08 0.0000e+00 2 react 3.0000e-03 -1.1598 -0.0002 -3.4911 -8.0863 1.1000e+00 1.3482e-04 4.0445e-06 8.4836e-06 1.2251e-04 3.9562e-08 0.0000e+00
2 react 4.0000e-03 -1.0937 -0.0052 -3.3105 -8.0227 1.1000e+00 7.1109e-04 1.5816e-02 5.2096e-05 6.3870e-04 3.1624e-07 0.0000e+00 2 react 4.0000e-03 -1.0937 -0.0052 -3.3105 -8.0227 1.1000e+00 7.1109e-04 2.1333e-05 5.2097e-05 6.3871e-04 3.1624e-07 0.0000e+00
2 react 8.0000e-03 -0.9117 -0.0244 -2.8894 -7.8876 1.1000e+00 3.1426e-03 6.9898e-02 3.5011e-04 2.7006e-03 3.6855e-06 0.0000e+00 2 react 8.0000e-03 -0.9117 -0.0244 -2.8894 -7.8876 1.1000e+00 3.1427e-03 9.4280e-05 3.5011e-04 2.7006e-03 3.6855e-06 0.0000e+00
2 react 1.6000e-02 -0.7187 -0.0582 -2.4625 -7.7592 1.1000e+00 8.5740e-03 1.9070e-01 1.4898e-03 6.8165e-03 2.6873e-05 0.0000e+00 2 react 1.6000e-02 -0.7187 -0.0582 -2.4625 -7.7592 1.1000e+00 8.5740e-03 2.5722e-04 1.4898e-03 6.8165e-03 2.6873e-05 0.0000e+00
2 react 3.2000e-02 -0.5494 -0.1092 -2.0389 -7.6301 1.1000e+00 2.1308e-02 4.7393e-01 5.4673e-03 1.5065e-02 1.7711e-04 0.0000e+00 2 react 3.2000e-02 -0.5494 -0.1092 -2.0389 -7.6301 1.1000e+00 2.1308e-02 6.3924e-04 5.4673e-03 1.5065e-02 1.7711e-04 0.0000e+00
2 react 6.4000e-02 -0.4332 -0.1665 -1.7268 -7.5391 1.1000e+00 5.1201e-02 1.1388e+00 1.7166e-02 3.1724e-02 8.7312e-04 0.0000e+00 2 react 6.4000e-02 -0.4332 -0.1665 -1.7268 -7.5391 1.1000e+00 5.1201e-02 1.5360e-03 1.7166e-02 3.1724e-02 8.7312e-04 0.0000e+00
2 react 1.2500e-01 -0.3717 -0.2093 -1.5737 -7.5017 1.1000e+00 1.1352e-01 2.5248e+00 4.3848e-02 6.3726e-02 2.7539e-03 0.0000e+00 2 react 1.2500e-01 -0.3717 -0.2093 -1.5737 -7.5017 1.1000e+00 1.1352e-01 3.4055e-03 4.3848e-02 6.3726e-02 2.7539e-03 0.0000e+00
2 react 2.5000e-01 -0.3402 -0.2359 -1.5030 -7.4881 1.1000e+00 2.4517e-01 5.4531e+00 1.0182e-01 1.2946e-01 7.0001e-03 0.0000e+00 2 react 2.5000e-01 -0.3402 -0.2359 -1.5030 -7.4881 1.1000e+00 2.4517e-01 7.3552e-03 1.0182e-01 1.2946e-01 7.0001e-03 0.0000e+00
2 react 5.0000e-01 -0.3250 -0.2501 -1.4711 -7.4832 1.1000e+00 5.1067e-01 1.1358e+01 2.1963e-01 2.6101e-01 1.5690e-02 0.0000e+00 2 react 5.0000e-01 -0.3250 -0.2501 -1.4711 -7.4832 1.1000e+00 5.1067e-01 1.5320e-02 2.1963e-01 2.6101e-01 1.5690e-02 0.0000e+00
2 react 1.0000e+00 -0.3176 -0.2574 -1.4562 -7.4812 1.1000e+00 1.0428e+00 2.3193e+01 4.5619e-01 5.2412e-01 3.3161e-02 0.0000e+00 2 react 1.0000e+00 -0.3176 -0.2574 -1.4562 -7.4812 1.1000e+00 1.0428e+00 3.1283e-02 4.5619e-01 5.2412e-01 3.3161e-02 0.0000e+00
3 i_gas -99 -1.5000 -20.8396 -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 -1.5000 -20.8396 -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 -1.4934 -3.2570 -4.4500 -9.6620 6.3591e-02 6.0274e-02 2.3190e+01 3.0429e-02 5.2448e-04 3.3633e-05 0.0000e+00 3 react 1.0000e-03 -1.4934 -3.2570 -4.4500 -9.6620 6.3591e-02 6.0274e-02 1.8082e-03 3.0429e-02 5.2448e-04 3.3633e-05 0.0000e+00
3 react 2.0000e-03 -1.4870 -2.9559 -4.1477 -9.4003 6.4661e-02 6.1288e-02 2.3190e+01 3.0885e-02 1.0491e-03 6.7465e-05 0.0000e+00 3 react 2.0000e-03 -1.4870 -2.9559 -4.1477 -9.4003 6.4661e-02 6.1288e-02 1.8387e-03 3.0885e-02 1.0491e-03 6.7465e-05 0.0000e+00
3 react 3.0000e-03 -1.4806 -2.7798 -3.9709 -9.2483 6.5731e-02 6.2303e-02 2.3190e+01 3.1341e-02 1.5738e-03 1.0135e-04 0.0000e+00 3 react 3.0000e-03 -1.4806 -2.7798 -3.9709 -9.2483 6.5731e-02 6.2303e-02 1.8691e-03 3.1341e-02 1.5738e-03 1.0135e-04 0.0000e+00
3 react 4.0000e-03 -1.4744 -2.6548 -3.8456 -9.1411 6.6802e-02 6.3317e-02 2.3190e+01 3.1797e-02 2.0985e-03 1.3526e-04 0.0000e+00 3 react 4.0000e-03 -1.4744 -2.6548 -3.8456 -9.1411 6.6802e-02 6.3317e-02 1.8995e-03 3.1797e-02 2.0985e-03 1.3526e-04 0.0000e+00
3 react 8.0000e-03 -1.4501 -2.3538 -3.5438 -8.8864 7.1083e-02 6.7376e-02 2.3190e+01 3.3621e-02 4.1973e-03 2.7100e-04 0.0000e+00 3 react 8.0000e-03 -1.4501 -2.3538 -3.5438 -8.8864 7.1083e-02 6.7376e-02 2.0213e-03 3.3621e-02 4.1973e-03 2.7100e-04 0.0000e+00
3 react 1.6000e-02 -1.4054 -2.0527 -3.2424 -8.6396 7.9647e-02 7.5493e-02 2.3190e+01 3.7269e-02 8.3949e-03 5.4244e-04 0.0000e+00 3 react 1.6000e-02 -1.4054 -2.0527 -3.2424 -8.6396 7.9647e-02 7.5493e-02 2.2648e-03 3.7269e-02 8.3949e-03 5.4244e-04 0.0000e+00
3 react 3.2000e-02 -1.3278 -1.7517 -2.9416 -8.4054 9.6771e-02 9.1724e-02 2.3190e+01 4.4564e-02 1.6789e-02 1.0843e-03 0.0000e+00 3 react 3.2000e-02 -1.3278 -1.7517 -2.9416 -8.4054 9.6771e-02 9.1724e-02 2.7517e-03 4.4564e-02 1.6789e-02 1.0843e-03 0.0000e+00
3 react 6.4000e-02 -1.2048 -1.4507 -2.6416 -8.1887 1.3101e-01 1.2417e-01 2.3190e+01 5.9149e-02 3.3575e-02 2.1633e-03 0.0000e+00 3 react 6.4000e-02 -1.2048 -1.4507 -2.6416 -8.1887 1.3101e-01 1.2417e-01 3.7252e-03 5.9149e-02 3.3575e-02 2.1633e-03 0.0000e+00
3 react 1.2500e-01 -1.0375 -1.1601 -2.3528 -7.9980 1.9622e-01 1.8599e-01 2.3190e+01 8.6937e-02 6.5561e-02 4.2062e-03 0.0000e+00 3 react 1.2500e-01 -1.0375 -1.1601 -2.3528 -7.9980 1.9622e-01 1.8599e-01 5.5797e-03 8.6937e-02 6.5561e-02 4.2062e-03 0.0000e+00
3 react 2.5000e-01 -0.8189 -0.8592 -2.0546 -7.8181 3.2976e-01 3.1256e-01 2.3190e+01 1.4384e-01 1.3108e-01 8.3591e-03 0.0000e+00 3 react 2.5000e-01 -0.8189 -0.8592 -2.0546 -7.8181 3.2976e-01 3.1256e-01 9.3769e-03 1.4384e-01 1.3108e-01 8.3591e-03 0.0000e+00
3 react 5.0000e-01 -0.5658 -0.5583 -1.7563 -7.6510 5.9669e-01 5.6557e-01 2.3190e+01 2.5759e-01 2.6209e-01 1.6614e-02 0.0000e+00 3 react 5.0000e-01 -0.5658 -0.5583 -1.7563 -7.6510 5.9669e-01 5.6557e-01 1.6967e-02 2.5759e-01 2.6209e-01 1.6614e-02 0.0000e+00
3 react 1.0000e+00 -0.2909 -0.2573 -1.4568 -7.4915 1.1305e+00 1.0715e+00 2.3190e+01 4.8506e-01 5.2408e-01 3.3109e-02 0.0000e+00 3 react 1.0000e+00 -0.2909 -0.2573 -1.4568 -7.4915 1.1305e+00 1.0715e+00 3.2146e-02 4.8506e-01 5.2408e-01 3.3109e-02 0.0000e+00

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@ -195,26 +195,26 @@ Initial solution 1.
----------------------------Distribution of species---------------------------- ----------------------------Distribution of species----------------------------
Log Log Log Log Log Log mole V
Species Molality Activity Molality Activity Gamma Species Molality Activity Molality Activity Gamma cm3/mol
OH- 1.113e-07 1.001e-07 -6.953 -7.000 -0.046 OH- 1.113e-07 1.001e-07 -6.953 -7.000 -0.046 (0)
H+ 1.096e-07 1.000e-07 -6.960 -7.000 -0.040 H+ 1.096e-07 1.000e-07 -6.960 -7.000 -0.040 0.00
H2O 5.551e+01 9.997e-01 1.744 -0.000 0.000 H2O 5.551e+01 9.997e-01 1.744 -0.000 0.000 18.07
Cl 1.020e-02 Cl 1.020e-02
Cl- 1.020e-02 9.171e-03 -1.991 -2.038 -0.046 Cl- 1.020e-02 9.171e-03 -1.991 -2.038 -0.046 17.82
Fe_diCl+ 9.149e-07 8.242e-07 -6.039 -6.084 -0.045 Fe_diCl+ 9.149e-07 8.242e-07 -6.039 -6.084 -0.045 (0)
Fe_di 1.000e-04 Fe_di 1.000e-04
Fe_di+2 9.886e-05 6.510e-05 -4.005 -4.186 -0.181 Fe_di+2 9.886e-05 6.510e-05 -4.005 -4.186 -0.181 (0)
Fe_diCl+ 9.149e-07 8.242e-07 -6.039 -6.084 -0.045 Fe_diCl+ 9.149e-07 8.242e-07 -6.039 -6.084 -0.045 (0)
Fe_diOH+ 2.285e-07 2.058e-07 -6.641 -6.687 -0.045 Fe_diOH+ 2.285e-07 2.058e-07 -6.641 -6.687 -0.045 (0)
H(0) 0.000e+00 H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -44.410 -44.409 0.001 H2 0.000e+00 0.000e+00 -44.410 -44.409 0.001 (0)
Na 1.000e-02 Na 1.000e-02
Na+ 1.000e-02 9.019e-03 -2.000 -2.045 -0.045 Na+ 1.000e-02 9.019e-03 -2.000 -2.045 -0.045 -1.21
NaOH 5.943e-10 5.957e-10 -9.226 -9.225 0.001 NaOH 5.943e-10 5.957e-10 -9.226 -9.225 0.001 (0)
O(0) 5.466e-04 O(0) 5.466e-04
O2 2.733e-04 2.739e-04 -3.563 -3.562 0.001 O2 2.733e-04 2.739e-04 -3.563 -3.562 0.001 (0)
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
@ -284,40 +284,40 @@ O2(g) -0.67 -3.56 -2.89 1.000e+01 1.000e+01 -2.645e-07
----------------------------Distribution of species---------------------------- ----------------------------Distribution of species----------------------------
Log Log Log Log Log Log mole V
Species Molality Activity Molality Activity Gamma Species Molality Activity Molality Activity Gamma cm3/mol
H+ 9.821e-07 8.962e-07 -6.008 -6.048 -0.040 H+ 9.821e-07 8.962e-07 -6.008 -6.048 -0.040 0.00
OH- 1.242e-08 1.117e-08 -7.906 -7.952 -0.046 OH- 1.242e-08 1.117e-08 -7.906 -7.952 -0.046 (0)
H2O 5.551e+01 9.997e-01 1.744 -0.000 0.000 H2O 5.551e+01 9.997e-01 1.744 -0.000 0.000 18.07
Cl 1.020e-02 Cl 1.020e-02
Cl- 1.020e-02 9.171e-03 -1.991 -2.038 -0.046 Cl- 1.020e-02 9.171e-03 -1.991 -2.038 -0.046 17.87
Fe_diCl+ 9.071e-07 8.172e-07 -6.042 -6.088 -0.045 Fe_diCl+ 9.071e-07 8.172e-07 -6.042 -6.088 -0.045 (0)
Fe_triCl+2 1.330e-13 8.757e-14 -12.876 -13.058 -0.181 Fe_triCl+2 1.330e-13 8.757e-14 -12.876 -13.058 -0.181 (0)
Fe_triCl2+ 3.982e-15 3.587e-15 -14.400 -14.445 -0.045 Fe_triCl2+ 3.982e-15 3.587e-15 -14.400 -14.445 -0.045 (0)
Fe_triCl3 3.282e-18 3.290e-18 -17.484 -17.483 0.001 Fe_triCl3 3.282e-18 3.290e-18 -17.484 -17.483 0.001 (0)
Fe_di 9.894e-05 Fe_di 9.894e-05
Fe_di+2 9.801e-05 6.455e-05 -4.009 -4.190 -0.181 Fe_di+2 9.801e-05 6.455e-05 -4.009 -4.190 -0.181 (0)
Fe_diCl+ 9.071e-07 8.172e-07 -6.042 -6.088 -0.045 Fe_diCl+ 9.071e-07 8.172e-07 -6.042 -6.088 -0.045 (0)
Fe_diOH+ 2.527e-08 2.277e-08 -7.597 -7.643 -0.045 Fe_diOH+ 2.527e-08 2.277e-08 -7.597 -7.643 -0.045 (0)
Fe_tri 1.058e-06 Fe_tri 1.058e-06
Fe_tri(OH)2+ 9.336e-07 8.410e-07 -6.030 -6.075 -0.045 Fe_tri(OH)2+ 9.336e-07 8.410e-07 -6.030 -6.075 -0.045 (0)
Fe_tri(OH)3 1.206e-07 1.209e-07 -6.919 -6.918 0.001 Fe_tri(OH)3 1.206e-07 1.209e-07 -6.919 -6.918 0.001 (0)
Fe_triOH+2 3.457e-09 2.277e-09 -8.461 -8.643 -0.181 Fe_triOH+2 3.457e-09 2.277e-09 -8.461 -8.643 -0.181 (0)
Fe_tri(OH)4- 1.365e-10 1.229e-10 -9.865 -9.910 -0.045 Fe_tri(OH)4- 1.365e-10 1.229e-10 -9.865 -9.910 -0.045 (0)
Fe_tri+3 8.092e-13 3.162e-13 -12.092 -12.500 -0.408 Fe_tri+3 8.092e-13 3.162e-13 -12.092 -12.500 -0.408 (0)
Fe_triCl+2 1.330e-13 8.757e-14 -12.876 -13.058 -0.181 Fe_triCl+2 1.330e-13 8.757e-14 -12.876 -13.058 -0.181 (0)
Fe_triCl2+ 3.982e-15 3.587e-15 -14.400 -14.445 -0.045 Fe_triCl2+ 3.982e-15 3.587e-15 -14.400 -14.445 -0.045 (0)
Fe_tri2(OH)2+4 7.418e-16 1.396e-16 -15.130 -15.855 -0.726 Fe_tri2(OH)2+4 7.418e-16 1.396e-16 -15.130 -15.855 -0.726 (0)
Fe_triCl3 3.282e-18 3.290e-18 -17.484 -17.483 0.001 Fe_triCl3 3.282e-18 3.290e-18 -17.484 -17.483 0.001 (0)
Fe_tri3(OH)4+5 3.336e-19 2.452e-20 -18.477 -19.610 -1.134 Fe_tri3(OH)4+5 3.336e-19 2.452e-20 -18.477 -19.610 -1.134 (0)
H(0) 0.000e+00 H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -44.410 -44.409 0.001 H2 0.000e+00 0.000e+00 -44.410 -44.409 0.001 (0)
Na 1.000e-02 Na 1.000e-02
Na+ 1.000e-02 9.019e-03 -2.000 -2.045 -0.045 Na+ 1.000e-02 9.019e-03 -2.000 -2.045 -0.045 -1.16
NaOH 6.631e-11 6.647e-11 -10.178 -10.177 0.001 NaOH 6.631e-11 6.647e-11 -10.178 -10.177 0.001 (0)
O(0) 5.466e-04 O(0) 5.466e-04
O2 2.733e-04 2.739e-04 -3.563 -3.562 0.001 O2 2.733e-04 2.739e-04 -3.563 -3.562 0.001 (0)
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
@ -382,40 +382,40 @@ O2(g) -0.67 -3.56 -2.89 1.000e+01 1.000e+01 -1.841e-07
----------------------------Distribution of species---------------------------- ----------------------------Distribution of species----------------------------
Log Log Log Log Log Log mole V
Species Molality Activity Molality Activity Gamma Species Molality Activity Molality Activity Gamma cm3/mol
H+ 1.699e-06 1.550e-06 -5.770 -5.810 -0.040 H+ 1.699e-06 1.550e-06 -5.770 -5.810 -0.040 0.00
OH- 7.183e-09 6.457e-09 -8.144 -8.190 -0.046 OH- 7.183e-09 6.457e-09 -8.144 -8.190 -0.046 (0)
H2O 5.551e+01 9.997e-01 1.744 -0.000 0.000 H2O 5.551e+01 9.997e-01 1.744 -0.000 0.000 18.07
Cl 1.020e-02 Cl 1.020e-02
Cl- 1.020e-02 9.171e-03 -1.991 -2.038 -0.046 Cl- 1.020e-02 9.171e-03 -1.991 -2.038 -0.046 17.87
Fe_diCl+ 9.005e-07 8.112e-07 -6.046 -6.091 -0.045 Fe_diCl+ 9.005e-07 8.112e-07 -6.046 -6.091 -0.045 (0)
Fe_triCl+2 7.069e-13 4.656e-13 -12.151 -12.332 -0.181 Fe_triCl+2 7.069e-13 4.656e-13 -12.151 -12.332 -0.181 (0)
Fe_triCl2+ 2.117e-14 1.907e-14 -13.674 -13.720 -0.045 Fe_triCl2+ 2.117e-14 1.907e-14 -13.674 -13.720 -0.045 (0)
Fe_triCl3 1.745e-17 1.749e-17 -16.758 -16.757 0.001 Fe_triCl3 1.745e-17 1.749e-17 -16.758 -16.757 0.001 (0)
Fe_di 9.821e-05 Fe_di 9.821e-05
Fe_di+2 9.729e-05 6.408e-05 -4.012 -4.193 -0.181 Fe_di+2 9.729e-05 6.408e-05 -4.012 -4.193 -0.181 (0)
Fe_diCl+ 9.005e-07 8.112e-07 -6.046 -6.091 -0.045 Fe_diCl+ 9.005e-07 8.112e-07 -6.046 -6.091 -0.045 (0)
Fe_diOH+ 1.451e-08 1.307e-08 -7.838 -7.884 -0.045 Fe_diOH+ 1.451e-08 1.307e-08 -7.838 -7.884 -0.045 (0)
Fe_tri 1.794e-06 Fe_tri 1.794e-06
Fe_tri(OH)2+ 1.660e-06 1.495e-06 -5.780 -5.825 -0.045 Fe_tri(OH)2+ 1.660e-06 1.495e-06 -5.780 -5.825 -0.045 (0)
Fe_tri(OH)3 1.239e-07 1.242e-07 -6.907 -6.906 0.001 Fe_tri(OH)3 1.239e-07 1.242e-07 -6.907 -6.906 0.001 (0)
Fe_triOH+2 1.063e-08 7.000e-09 -7.974 -8.155 -0.181 Fe_triOH+2 1.063e-08 7.000e-09 -7.974 -8.155 -0.181 (0)
Fe_tri(OH)4- 8.110e-11 7.306e-11 -10.091 -10.136 -0.045 Fe_tri(OH)4- 8.110e-11 7.306e-11 -10.091 -10.136 -0.045 (0)
Fe_tri+3 4.302e-12 1.681e-12 -11.366 -11.774 -0.408 Fe_tri+3 4.302e-12 1.681e-12 -11.366 -11.774 -0.408 (0)
Fe_triCl+2 7.069e-13 4.656e-13 -12.151 -12.332 -0.181 Fe_triCl+2 7.069e-13 4.656e-13 -12.151 -12.332 -0.181 (0)
Fe_triCl2+ 2.117e-14 1.907e-14 -13.674 -13.720 -0.045 Fe_triCl2+ 2.117e-14 1.907e-14 -13.674 -13.720 -0.045 (0)
Fe_tri2(OH)2+4 7.010e-15 1.319e-15 -14.154 -14.880 -0.726 Fe_tri2(OH)2+4 7.010e-15 1.319e-15 -14.154 -14.880 -0.726 (0)
Fe_triCl3 1.745e-17 1.749e-17 -16.758 -16.757 0.001 Fe_triCl3 1.745e-17 1.749e-17 -16.758 -16.757 0.001 (0)
Fe_tri3(OH)4+5 5.604e-18 4.120e-19 -17.252 -18.385 -1.134 Fe_tri3(OH)4+5 5.604e-18 4.120e-19 -17.252 -18.385 -1.134 (0)
H(0) 0.000e+00 H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -44.410 -44.409 0.001 H2 0.000e+00 0.000e+00 -44.410 -44.409 0.001 (0)
Na 1.000e-02 Na 1.000e-02
Na+ 1.000e-02 9.019e-03 -2.000 -2.045 -0.045 Na+ 1.000e-02 9.019e-03 -2.000 -2.045 -0.045 -1.16
NaOH 3.834e-11 3.843e-11 -10.416 -10.415 0.001 NaOH 3.834e-11 3.843e-11 -10.416 -10.415 0.001 (0)
O(0) 5.466e-04 O(0) 5.466e-04
O2 2.733e-04 2.739e-04 -3.563 -3.562 0.001 O2 2.733e-04 2.739e-04 -3.563 -3.562 0.001 (0)
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
@ -480,40 +480,40 @@ O2(g) -0.67 -3.56 -2.89 1.000e+01 1.000e+01 -4.036e-07
----------------------------Distribution of species---------------------------- ----------------------------Distribution of species----------------------------
Log Log Log Log Log Log mole V
Species Molality Activity Molality Activity Gamma Species Molality Activity Molality Activity Gamma cm3/mol
H+ 3.274e-06 2.988e-06 -5.485 -5.525 -0.040 H+ 3.274e-06 2.988e-06 -5.485 -5.525 -0.040 0.00
OH- 3.726e-09 3.349e-09 -8.429 -8.475 -0.046 OH- 3.726e-09 3.349e-09 -8.429 -8.475 -0.046 (0)
H2O 5.551e+01 9.997e-01 1.744 -0.000 0.000 H2O 5.551e+01 9.997e-01 1.744 -0.000 0.000 18.07
Cl 1.020e-02 Cl 1.020e-02
Cl- 1.020e-02 9.171e-03 -1.991 -2.038 -0.046 Cl- 1.020e-02 9.171e-03 -1.991 -2.038 -0.046 17.87
Fe_diCl+ 8.857e-07 7.979e-07 -6.053 -6.098 -0.045 Fe_diCl+ 8.857e-07 7.979e-07 -6.053 -6.098 -0.045 (0)
Fe_triCl+2 5.132e-12 3.380e-12 -11.290 -11.471 -0.181 Fe_triCl+2 5.132e-12 3.380e-12 -11.290 -11.471 -0.181 (0)
Fe_triCl2+ 1.537e-13 1.385e-13 -12.813 -12.859 -0.045 Fe_triCl2+ 1.537e-13 1.385e-13 -12.813 -12.859 -0.045 (0)
Fe_triCl3 1.267e-16 1.270e-16 -15.897 -15.896 0.001 Fe_triCl3 1.267e-16 1.270e-16 -15.897 -15.896 0.001 (0)
Fe_di 9.659e-05 Fe_di 9.659e-05
Fe_di+2 9.570e-05 6.303e-05 -4.019 -4.200 -0.181 Fe_di+2 9.570e-05 6.303e-05 -4.019 -4.200 -0.181 (0)
Fe_diCl+ 8.857e-07 7.979e-07 -6.053 -6.098 -0.045 Fe_diCl+ 8.857e-07 7.979e-07 -6.053 -6.098 -0.045 (0)
Fe_diOH+ 7.403e-09 6.669e-09 -8.131 -8.176 -0.045 Fe_diOH+ 7.403e-09 6.669e-09 -8.131 -8.176 -0.045 (0)
Fe_tri 3.408e-06 Fe_tri 3.408e-06
Fe_tri(OH)2+ 3.242e-06 2.921e-06 -5.489 -5.534 -0.045 Fe_tri(OH)2+ 3.242e-06 2.921e-06 -5.489 -5.534 -0.045 (0)
Fe_tri(OH)3 1.256e-07 1.259e-07 -6.901 -6.900 0.001 Fe_tri(OH)3 1.256e-07 1.259e-07 -6.901 -6.900 0.001 (0)
Fe_triOH+2 4.003e-08 2.636e-08 -7.398 -7.579 -0.181 Fe_triOH+2 4.003e-08 2.636e-08 -7.398 -7.579 -0.181 (0)
Fe_tri(OH)4- 4.265e-11 3.842e-11 -10.370 -10.415 -0.045 Fe_tri(OH)4- 4.265e-11 3.842e-11 -10.370 -10.415 -0.045 (0)
Fe_tri+3 3.123e-11 1.220e-11 -10.505 -10.913 -0.408 Fe_tri+3 3.123e-11 1.220e-11 -10.505 -10.913 -0.408 (0)
Fe_triCl+2 5.132e-12 3.380e-12 -11.290 -11.471 -0.181 Fe_triCl+2 5.132e-12 3.380e-12 -11.290 -11.471 -0.181 (0)
Fe_triCl2+ 1.537e-13 1.385e-13 -12.813 -12.859 -0.045 Fe_triCl2+ 1.537e-13 1.385e-13 -12.813 -12.859 -0.045 (0)
Fe_tri2(OH)2+4 9.943e-14 1.871e-14 -13.002 -13.728 -0.725 Fe_tri2(OH)2+4 9.943e-14 1.871e-14 -13.002 -13.728 -0.725 (0)
Fe_tri3(OH)4+5 1.553e-16 1.142e-17 -15.809 -16.942 -1.134 Fe_tri3(OH)4+5 1.553e-16 1.142e-17 -15.809 -16.942 -1.134 (0)
Fe_triCl3 1.267e-16 1.270e-16 -15.897 -15.896 0.001 Fe_triCl3 1.267e-16 1.270e-16 -15.897 -15.896 0.001 (0)
H(0) 0.000e+00 H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -44.410 -44.409 0.001 H2 0.000e+00 0.000e+00 -44.410 -44.409 0.001 (0)
Na 1.000e-02 Na 1.000e-02
Na+ 1.000e-02 9.019e-03 -2.000 -2.045 -0.045 Na+ 1.000e-02 9.019e-03 -2.000 -2.045 -0.045 -1.16
NaOH 1.989e-11 1.994e-11 -10.701 -10.700 0.001 NaOH 1.989e-11 1.994e-11 -10.701 -10.700 0.001 (0)
O(0) 5.466e-04 O(0) 5.466e-04
O2 2.733e-04 2.739e-04 -3.563 -3.562 0.001 O2 2.733e-04 2.739e-04 -3.563 -3.562 0.001 (0)
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
@ -578,40 +578,40 @@ O2(g) -0.67 -3.56 -2.89 1.000e+01 1.000e+01 -4.883e-07
----------------------------Distribution of species---------------------------- ----------------------------Distribution of species----------------------------
Log Log Log Log Log Log mole V
Species Molality Activity Molality Activity Gamma Species Molality Activity Molality Activity Gamma cm3/mol
H+ 5.163e-06 4.711e-06 -5.287 -5.327 -0.040 H+ 5.163e-06 4.711e-06 -5.287 -5.327 -0.040 0.00
OH- 2.363e-09 2.124e-09 -8.627 -8.673 -0.046 OH- 2.363e-09 2.124e-09 -8.627 -8.673 -0.046 (0)
H2O 5.551e+01 9.997e-01 1.744 -0.000 0.000 H2O 5.551e+01 9.997e-01 1.744 -0.000 0.000 18.07
Cl 1.020e-02 Cl 1.020e-02
Cl- 1.020e-02 9.171e-03 -1.991 -2.038 -0.046 Cl- 1.020e-02 9.171e-03 -1.991 -2.038 -0.046 17.87
Fe_diCl+ 8.679e-07 7.819e-07 -6.062 -6.107 -0.045 Fe_diCl+ 8.679e-07 7.819e-07 -6.062 -6.107 -0.045 (0)
Fe_triCl+2 2.021e-11 1.331e-11 -10.694 -10.876 -0.181 Fe_triCl+2 2.021e-11 1.331e-11 -10.694 -10.876 -0.181 (0)
Fe_triCl2+ 6.053e-13 5.453e-13 -12.218 -12.263 -0.045 Fe_triCl2+ 6.053e-13 5.453e-13 -12.218 -12.263 -0.045 (0)
Fe_triCl3 4.990e-16 5.001e-16 -15.302 -15.301 0.001 Fe_triCl3 4.990e-16 5.001e-16 -15.302 -15.301 0.001 (0)
Fe_di 9.464e-05 Fe_di 9.464e-05
Fe_di+2 9.377e-05 6.176e-05 -4.028 -4.209 -0.181 Fe_di+2 9.377e-05 6.176e-05 -4.028 -4.209 -0.181 (0)
Fe_diCl+ 8.679e-07 7.819e-07 -6.062 -6.107 -0.045 Fe_diCl+ 8.679e-07 7.819e-07 -6.062 -6.107 -0.045 (0)
Fe_diOH+ 4.600e-09 4.144e-09 -8.337 -8.383 -0.045 Fe_diOH+ 4.600e-09 4.144e-09 -8.337 -8.383 -0.045 (0)
Fe_tri 5.361e-06 Fe_tri 5.361e-06
Fe_tri(OH)2+ 5.135e-06 4.626e-06 -5.289 -5.335 -0.045 Fe_tri(OH)2+ 5.135e-06 4.626e-06 -5.289 -5.335 -0.045 (0)
Fe_tri(OH)3 1.261e-07 1.264e-07 -6.899 -6.898 0.001 Fe_tri(OH)3 1.261e-07 1.264e-07 -6.899 -6.898 0.001 (0)
Fe_triOH+2 9.996e-08 6.584e-08 -7.000 -7.182 -0.181 Fe_triOH+2 9.996e-08 6.584e-08 -7.000 -7.182 -0.181 (0)
Fe_tri+3 1.230e-10 4.806e-11 -9.910 -10.318 -0.408 Fe_tri+3 1.230e-10 4.806e-11 -9.910 -10.318 -0.408 (0)
Fe_tri(OH)4- 2.716e-11 2.447e-11 -10.566 -10.611 -0.045 Fe_tri(OH)4- 2.716e-11 2.447e-11 -10.566 -10.611 -0.045 (0)
Fe_triCl+2 2.021e-11 1.331e-11 -10.694 -10.876 -0.181 Fe_triCl+2 2.021e-11 1.331e-11 -10.694 -10.876 -0.181 (0)
Fe_tri2(OH)2+4 6.200e-13 1.167e-13 -12.208 -12.933 -0.725 Fe_tri2(OH)2+4 6.200e-13 1.167e-13 -12.208 -12.933 -0.725 (0)
Fe_triCl2+ 6.053e-13 5.453e-13 -12.218 -12.263 -0.045 Fe_triCl2+ 6.053e-13 5.453e-13 -12.218 -12.263 -0.045 (0)
Fe_tri3(OH)4+5 1.533e-15 1.128e-16 -14.814 -15.948 -1.133 Fe_tri3(OH)4+5 1.533e-15 1.128e-16 -14.814 -15.948 -1.133 (0)
Fe_triCl3 4.990e-16 5.001e-16 -15.302 -15.301 0.001 Fe_triCl3 4.990e-16 5.001e-16 -15.302 -15.301 0.001 (0)
H(0) 0.000e+00 H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -44.410 -44.409 0.001 H2 0.000e+00 0.000e+00 -44.410 -44.409 0.001 (0)
Na 1.000e-02 Na 1.000e-02
Na+ 1.000e-02 9.019e-03 -2.000 -2.045 -0.045 Na+ 1.000e-02 9.019e-03 -2.000 -2.045 -0.045 -1.16
NaOH 1.261e-11 1.264e-11 -10.899 -10.898 0.001 NaOH 1.261e-11 1.264e-11 -10.899 -10.898 0.001 (0)
O(0) 5.466e-04 O(0) 5.466e-04
O2 2.733e-04 2.739e-04 -3.563 -3.562 0.001 O2 2.733e-04 2.739e-04 -3.563 -3.562 0.001 (0)
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
@ -676,40 +676,40 @@ O2(g) -0.67 -3.56 -2.89 1.000e+01 1.000e+01 -4.689e-07
----------------------------Distribution of species---------------------------- ----------------------------Distribution of species----------------------------
Log Log Log Log Log Log mole V
Species Molality Activity Molality Activity Gamma Species Molality Activity Molality Activity Gamma cm3/mol
H+ 6.954e-06 6.346e-06 -5.158 -5.197 -0.040 H+ 6.954e-06 6.346e-06 -5.158 -5.197 -0.040 0.00
OH- 1.754e-09 1.577e-09 -8.756 -8.802 -0.046 OH- 1.754e-09 1.577e-09 -8.756 -8.802 -0.046 (0)
H2O 5.551e+01 9.997e-01 1.744 -0.000 0.000 H2O 5.551e+01 9.997e-01 1.744 -0.000 0.000 18.07
Cl 1.020e-02 Cl 1.020e-02
Cl- 1.020e-02 9.171e-03 -1.991 -2.038 -0.046 Cl- 1.020e-02 9.171e-03 -1.991 -2.038 -0.046 17.87
Fe_diCl+ 8.507e-07 7.664e-07 -6.070 -6.116 -0.045 Fe_diCl+ 8.507e-07 7.664e-07 -6.070 -6.116 -0.045 (0)
Fe_triCl+2 4.947e-11 3.258e-11 -10.306 -10.487 -0.181 Fe_triCl+2 4.947e-11 3.258e-11 -10.306 -10.487 -0.181 (0)
Fe_triCl2+ 1.482e-12 1.335e-12 -11.829 -11.875 -0.045 Fe_triCl2+ 1.482e-12 1.335e-12 -11.829 -11.875 -0.045 (0)
Fe_triCl3 1.221e-15 1.224e-15 -14.913 -14.912 0.001 Fe_triCl3 1.221e-15 1.224e-15 -14.913 -14.912 0.001 (0)
Fe_di 9.276e-05 Fe_di 9.276e-05
Fe_di+2 9.191e-05 6.054e-05 -4.037 -4.218 -0.181 Fe_di+2 9.191e-05 6.054e-05 -4.037 -4.218 -0.181 (0)
Fe_diCl+ 8.507e-07 7.664e-07 -6.070 -6.116 -0.045 Fe_diCl+ 8.507e-07 7.664e-07 -6.070 -6.116 -0.045 (0)
Fe_diOH+ 3.347e-09 3.016e-09 -8.475 -8.521 -0.045 Fe_diOH+ 3.347e-09 3.016e-09 -8.475 -8.521 -0.045 (0)
Fe_tri 7.236e-06 Fe_tri 7.236e-06
Fe_tri(OH)2+ 6.928e-06 6.241e-06 -5.159 -5.205 -0.045 Fe_tri(OH)2+ 6.928e-06 6.241e-06 -5.159 -5.205 -0.045 (0)
Fe_triOH+2 1.817e-07 1.196e-07 -6.741 -6.922 -0.181 Fe_triOH+2 1.817e-07 1.196e-07 -6.741 -6.922 -0.181 (0)
Fe_tri(OH)3 1.263e-07 1.266e-07 -6.898 -6.897 0.001 Fe_tri(OH)3 1.263e-07 1.266e-07 -6.898 -6.897 0.001 (0)
Fe_tri+3 3.010e-10 1.176e-10 -9.521 -9.929 -0.408 Fe_tri+3 3.010e-10 1.176e-10 -9.521 -9.929 -0.408 (0)
Fe_triCl+2 4.947e-11 3.258e-11 -10.306 -10.487 -0.181 Fe_triCl+2 4.947e-11 3.258e-11 -10.306 -10.487 -0.181 (0)
Fe_tri(OH)4- 2.020e-11 1.819e-11 -10.695 -10.740 -0.045 Fe_tri(OH)4- 2.020e-11 1.819e-11 -10.695 -10.740 -0.045 (0)
Fe_tri2(OH)2+4 2.047e-12 3.853e-13 -11.689 -12.414 -0.725 Fe_tri2(OH)2+4 2.047e-12 3.853e-13 -11.689 -12.414 -0.725 (0)
Fe_triCl2+ 1.482e-12 1.335e-12 -11.829 -11.875 -0.045 Fe_triCl2+ 1.482e-12 1.335e-12 -11.829 -11.875 -0.045 (0)
Fe_tri3(OH)4+5 6.830e-15 5.024e-16 -14.166 -15.299 -1.133 Fe_tri3(OH)4+5 6.830e-15 5.024e-16 -14.166 -15.299 -1.133 (0)
Fe_triCl3 1.221e-15 1.224e-15 -14.913 -14.912 0.001 Fe_triCl3 1.221e-15 1.224e-15 -14.913 -14.912 0.001 (0)
H(0) 0.000e+00 H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -44.410 -44.409 0.001 H2 0.000e+00 0.000e+00 -44.410 -44.409 0.001 (0)
Na 1.000e-02 Na 1.000e-02
Na+ 1.000e-02 9.019e-03 -2.000 -2.045 -0.045 Na+ 1.000e-02 9.019e-03 -2.000 -2.045 -0.045 -1.16
NaOH 9.365e-12 9.387e-12 -11.029 -11.027 0.001 NaOH 9.365e-12 9.387e-12 -11.029 -11.027 0.001 (0)
O(0) 5.466e-04 O(0) 5.466e-04
O2 2.733e-04 2.739e-04 -3.563 -3.562 0.001 O2 2.733e-04 2.739e-04 -3.563 -3.562 0.001 (0)
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
@ -774,40 +774,40 @@ O2(g) -0.67 -3.56 -2.89 1.000e+01 1.000e+01 -6.017e-07
----------------------------Distribution of species---------------------------- ----------------------------Distribution of species----------------------------
Log Log Log Log Log Log mole V
Species Molality Activity Molality Activity Gamma Species Molality Activity Molality Activity Gamma cm3/mol
H+ 9.220e-06 8.414e-06 -5.035 -5.075 -0.040 H+ 9.220e-06 8.414e-06 -5.035 -5.075 -0.040 0.00
OH- 1.323e-09 1.189e-09 -8.878 -8.925 -0.046 OH- 1.323e-09 1.189e-09 -8.878 -8.925 -0.046 (0)
H2O 5.551e+01 9.997e-01 1.744 -0.000 0.000 H2O 5.551e+01 9.997e-01 1.744 -0.000 0.000 18.07
Cl 1.020e-02 Cl 1.020e-02
Cl- 1.020e-02 9.172e-03 -1.991 -2.038 -0.046 Cl- 1.020e-02 9.172e-03 -1.991 -2.038 -0.046 17.87
Fe_diCl+ 8.287e-07 7.466e-07 -6.082 -6.127 -0.045 Fe_diCl+ 8.287e-07 7.466e-07 -6.082 -6.127 -0.045 (0)
Fe_triCl+2 1.154e-10 7.603e-11 -9.938 -10.119 -0.181 Fe_triCl+2 1.154e-10 7.603e-11 -9.938 -10.119 -0.181 (0)
Fe_triCl2+ 3.457e-12 3.115e-12 -11.461 -11.507 -0.045 Fe_triCl2+ 3.457e-12 3.115e-12 -11.461 -11.507 -0.045 (0)
Fe_triCl3 2.850e-15 2.857e-15 -14.545 -14.544 0.001 Fe_triCl3 2.850e-15 2.857e-15 -14.545 -14.544 0.001 (0)
Fe_di 9.036e-05 Fe_di 9.036e-05
Fe_di+2 8.953e-05 5.897e-05 -4.048 -4.229 -0.181 Fe_di+2 8.953e-05 5.897e-05 -4.048 -4.229 -0.181 (0)
Fe_diCl+ 8.287e-07 7.466e-07 -6.082 -6.127 -0.045 Fe_diCl+ 8.287e-07 7.466e-07 -6.082 -6.127 -0.045 (0)
Fe_diOH+ 2.459e-09 2.216e-09 -8.609 -8.655 -0.045 Fe_diOH+ 2.459e-09 2.216e-09 -8.609 -8.655 -0.045 (0)
Fe_tri 9.642e-06 Fe_tri 9.642e-06
Fe_tri(OH)2+ 9.195e-06 8.284e-06 -5.036 -5.082 -0.045 Fe_tri(OH)2+ 9.195e-06 8.284e-06 -5.036 -5.082 -0.045 (0)
Fe_triOH+2 3.197e-07 2.106e-07 -6.495 -6.677 -0.181 Fe_triOH+2 3.197e-07 2.106e-07 -6.495 -6.677 -0.181 (0)
Fe_tri(OH)3 1.265e-07 1.268e-07 -6.898 -6.897 0.001 Fe_tri(OH)3 1.265e-07 1.268e-07 -6.898 -6.897 0.001 (0)
Fe_tri+3 7.023e-10 2.745e-10 -9.153 -9.561 -0.408 Fe_tri+3 7.023e-10 2.745e-10 -9.153 -9.561 -0.408 (0)
Fe_triCl+2 1.154e-10 7.603e-11 -9.938 -10.119 -0.181 Fe_triCl+2 1.154e-10 7.603e-11 -9.938 -10.119 -0.181 (0)
Fe_tri(OH)4- 1.525e-11 1.374e-11 -10.817 -10.862 -0.045 Fe_tri(OH)4- 1.525e-11 1.374e-11 -10.817 -10.862 -0.045 (0)
Fe_tri2(OH)2+4 6.340e-12 1.193e-12 -11.198 -11.923 -0.725 Fe_tri2(OH)2+4 6.340e-12 1.193e-12 -11.198 -11.923 -0.725 (0)
Fe_triCl2+ 3.457e-12 3.115e-12 -11.461 -11.507 -0.045 Fe_triCl2+ 3.457e-12 3.115e-12 -11.461 -11.507 -0.045 (0)
Fe_tri3(OH)4+5 2.807e-14 2.065e-15 -13.552 -14.685 -1.133 Fe_tri3(OH)4+5 2.807e-14 2.065e-15 -13.552 -14.685 -1.133 (0)
Fe_triCl3 2.850e-15 2.857e-15 -14.545 -14.544 0.001 Fe_triCl3 2.850e-15 2.857e-15 -14.545 -14.544 0.001 (0)
H(0) 0.000e+00 H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -44.410 -44.409 0.001 H2 0.000e+00 0.000e+00 -44.410 -44.409 0.001 (0)
Na 1.000e-02 Na 1.000e-02
Na+ 1.000e-02 9.020e-03 -2.000 -2.045 -0.045 Na+ 1.000e-02 9.020e-03 -2.000 -2.045 -0.045 -1.16
NaOH 7.063e-12 7.080e-12 -11.151 -11.150 0.001 NaOH 7.063e-12 7.080e-12 -11.151 -11.150 0.001 (0)
O(0) 5.466e-04 O(0) 5.466e-04
O2 2.733e-04 2.739e-04 -3.563 -3.562 0.001 O2 2.733e-04 2.739e-04 -3.563 -3.562 0.001 (0)
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
@ -872,40 +872,40 @@ O2(g) -0.67 -3.56 -2.89 1.000e+01 1.000e+01 -6.156e-07
----------------------------Distribution of species---------------------------- ----------------------------Distribution of species----------------------------
Log Log Log Log Log Log mole V
Species Molality Activity Molality Activity Gamma Species Molality Activity Molality Activity Gamma cm3/mol
H+ 1.150e-05 1.050e-05 -4.939 -4.979 -0.040 H+ 1.150e-05 1.050e-05 -4.939 -4.979 -0.040 0.00
OH- 1.061e-09 9.534e-10 -8.974 -9.021 -0.046 OH- 1.061e-09 9.534e-10 -8.974 -9.021 -0.046 (0)
H2O 5.551e+01 9.997e-01 1.744 -0.000 0.000 H2O 5.551e+01 9.997e-01 1.744 -0.000 0.000 18.07
Cl 1.020e-02 Cl 1.020e-02
Cl- 1.020e-02 9.172e-03 -1.991 -2.038 -0.046 Cl- 1.020e-02 9.172e-03 -1.991 -2.038 -0.046 17.87
Fe_diCl+ 8.062e-07 7.263e-07 -6.094 -6.139 -0.045 Fe_diCl+ 8.062e-07 7.263e-07 -6.094 -6.139 -0.045 (0)
Fe_triCl+2 2.242e-10 1.477e-10 -9.649 -9.831 -0.181 Fe_triCl+2 2.242e-10 1.477e-10 -9.649 -9.831 -0.181 (0)
Fe_triCl2+ 6.716e-12 6.050e-12 -11.173 -11.218 -0.045 Fe_triCl2+ 6.716e-12 6.050e-12 -11.173 -11.218 -0.045 (0)
Fe_triCl3 5.536e-15 5.549e-15 -14.257 -14.256 0.001 Fe_triCl3 5.536e-15 5.549e-15 -14.257 -14.256 0.001 (0)
Fe_di 8.790e-05 Fe_di 8.790e-05
Fe_di+2 8.709e-05 5.737e-05 -4.060 -4.241 -0.181 Fe_di+2 8.709e-05 5.737e-05 -4.060 -4.241 -0.181 (0)
Fe_diCl+ 8.062e-07 7.263e-07 -6.094 -6.139 -0.045 Fe_diCl+ 8.062e-07 7.263e-07 -6.094 -6.139 -0.045 (0)
Fe_diOH+ 1.918e-09 1.728e-09 -8.717 -8.763 -0.045 Fe_diOH+ 1.918e-09 1.728e-09 -8.717 -8.763 -0.045 (0)
Fe_tri 1.210e-05 Fe_tri 1.210e-05
Fe_tri(OH)2+ 1.148e-05 1.034e-05 -4.940 -4.985 -0.045 Fe_tri(OH)2+ 1.148e-05 1.034e-05 -4.940 -4.985 -0.045 (0)
Fe_triOH+2 4.978e-07 3.279e-07 -6.303 -6.484 -0.181 Fe_triOH+2 4.978e-07 3.279e-07 -6.303 -6.484 -0.181 (0)
Fe_tri(OH)3 1.266e-07 1.269e-07 -6.898 -6.897 0.001 Fe_tri(OH)3 1.266e-07 1.269e-07 -6.898 -6.897 0.001 (0)
Fe_tri+3 1.364e-09 5.332e-10 -8.865 -9.273 -0.408 Fe_tri+3 1.364e-09 5.332e-10 -8.865 -9.273 -0.408 (0)
Fe_triCl+2 2.242e-10 1.477e-10 -9.649 -9.831 -0.181 Fe_triCl+2 2.242e-10 1.477e-10 -9.649 -9.831 -0.181 (0)
Fe_tri2(OH)2+4 1.537e-11 2.894e-12 -10.813 -11.539 -0.725 Fe_tri2(OH)2+4 1.537e-11 2.894e-12 -10.813 -11.539 -0.725 (0)
Fe_tri(OH)4- 1.223e-11 1.102e-11 -10.912 -10.958 -0.045 Fe_tri(OH)4- 1.223e-11 1.102e-11 -10.912 -10.958 -0.045 (0)
Fe_triCl2+ 6.716e-12 6.050e-12 -11.173 -11.218 -0.045 Fe_triCl2+ 6.716e-12 6.050e-12 -11.173 -11.218 -0.045 (0)
Fe_tri3(OH)4+5 8.494e-14 6.251e-15 -13.071 -14.204 -1.133 Fe_tri3(OH)4+5 8.494e-14 6.251e-15 -13.071 -14.204 -1.133 (0)
Fe_triCl3 5.536e-15 5.549e-15 -14.257 -14.256 0.001 Fe_triCl3 5.536e-15 5.549e-15 -14.257 -14.256 0.001 (0)
H(0) 0.000e+00 H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -44.410 -44.409 0.001 H2 0.000e+00 0.000e+00 -44.410 -44.409 0.001 (0)
Na 1.000e-02 Na 1.000e-02
Na+ 1.000e-02 9.020e-03 -2.000 -2.045 -0.045 Na+ 1.000e-02 9.020e-03 -2.000 -2.045 -0.045 -1.16
NaOH 5.662e-12 5.676e-12 -11.247 -11.246 0.001 NaOH 5.662e-12 5.676e-12 -11.247 -11.246 0.001 (0)
O(0) 5.466e-04 O(0) 5.466e-04
O2 2.733e-04 2.739e-04 -3.563 -3.562 0.001 O2 2.733e-04 2.739e-04 -3.563 -3.562 0.001 (0)
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
@ -970,40 +970,40 @@ O2(g) -0.67 -3.56 -2.89 1.000e+01 1.000e+01 -7.722e-07
----------------------------Distribution of species---------------------------- ----------------------------Distribution of species----------------------------
Log Log Log Log Log Log mole V
Species Molality Activity Molality Activity Gamma Species Molality Activity Molality Activity Gamma cm3/mol
H+ 1.431e-05 1.306e-05 -4.844 -4.884 -0.040 H+ 1.431e-05 1.306e-05 -4.844 -4.884 -0.040 0.00
OH- 8.523e-10 7.662e-10 -9.069 -9.116 -0.046 OH- 8.523e-10 7.662e-10 -9.069 -9.116 -0.046 (0)
H2O 5.551e+01 9.997e-01 1.744 -0.000 0.000 H2O 5.551e+01 9.997e-01 1.744 -0.000 0.000 18.07
Cl 1.020e-02 Cl 1.020e-02
Cl- 1.020e-02 9.172e-03 -1.991 -2.038 -0.046 Cl- 1.020e-02 9.172e-03 -1.991 -2.038 -0.046 17.87
Fe_diCl+ 7.779e-07 7.008e-07 -6.109 -6.154 -0.045 Fe_diCl+ 7.779e-07 7.008e-07 -6.109 -6.154 -0.045 (0)
Fe_triCl+2 4.323e-10 2.848e-10 -9.364 -9.546 -0.181 Fe_triCl+2 4.323e-10 2.848e-10 -9.364 -9.546 -0.181 (0)
Fe_triCl2+ 1.295e-11 1.167e-11 -10.888 -10.933 -0.045 Fe_triCl2+ 1.295e-11 1.167e-11 -10.888 -10.933 -0.045 (0)
Fe_triCl3 1.068e-14 1.070e-14 -13.972 -13.971 0.001 Fe_triCl3 1.068e-14 1.070e-14 -13.972 -13.971 0.001 (0)
Fe_di 8.481e-05 Fe_di 8.481e-05
Fe_di+2 8.403e-05 5.535e-05 -4.076 -4.257 -0.181 Fe_di+2 8.403e-05 5.535e-05 -4.076 -4.257 -0.181 (0)
Fe_diCl+ 7.779e-07 7.008e-07 -6.109 -6.154 -0.045 Fe_diCl+ 7.779e-07 7.008e-07 -6.109 -6.154 -0.045 (0)
Fe_diOH+ 1.487e-09 1.340e-09 -8.828 -8.873 -0.045 Fe_diOH+ 1.487e-09 1.340e-09 -8.828 -8.873 -0.045 (0)
Fe_tri 1.519e-05 Fe_tri 1.519e-05
Fe_tri(OH)2+ 1.429e-05 1.288e-05 -4.845 -4.890 -0.045 Fe_tri(OH)2+ 1.429e-05 1.288e-05 -4.845 -4.890 -0.045 (0)
Fe_triOH+2 7.712e-07 5.080e-07 -6.113 -6.294 -0.181 Fe_triOH+2 7.712e-07 5.080e-07 -6.113 -6.294 -0.181 (0)
Fe_tri(OH)3 1.266e-07 1.269e-07 -6.897 -6.896 0.001 Fe_tri(OH)3 1.266e-07 1.269e-07 -6.897 -6.896 0.001 (0)
Fe_tri+3 2.630e-09 1.028e-09 -8.580 -8.988 -0.408 Fe_tri+3 2.630e-09 1.028e-09 -8.580 -8.988 -0.408 (0)
Fe_triCl+2 4.323e-10 2.848e-10 -9.364 -9.546 -0.181 Fe_triCl+2 4.323e-10 2.848e-10 -9.364 -9.546 -0.181 (0)
Fe_tri2(OH)2+4 3.689e-11 6.947e-12 -10.433 -11.158 -0.725 Fe_tri2(OH)2+4 3.689e-11 6.947e-12 -10.433 -11.158 -0.725 (0)
Fe_triCl2+ 1.295e-11 1.167e-11 -10.888 -10.933 -0.045 Fe_triCl2+ 1.295e-11 1.167e-11 -10.888 -10.933 -0.045 (0)
Fe_tri(OH)4- 9.835e-12 8.861e-12 -11.007 -11.053 -0.045 Fe_tri(OH)4- 9.835e-12 8.861e-12 -11.007 -11.053 -0.045 (0)
Fe_tri3(OH)4+5 2.539e-13 1.869e-14 -12.595 -13.728 -1.133 Fe_tri3(OH)4+5 2.539e-13 1.869e-14 -12.595 -13.728 -1.133 (0)
Fe_triCl3 1.068e-14 1.070e-14 -13.972 -13.971 0.001 Fe_triCl3 1.068e-14 1.070e-14 -13.972 -13.971 0.001 (0)
H(0) 0.000e+00 H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -44.410 -44.409 0.001 H2 0.000e+00 0.000e+00 -44.410 -44.409 0.001 (0)
Na 1.000e-02 Na 1.000e-02
Na+ 1.000e-02 9.020e-03 -2.000 -2.045 -0.045 Na+ 1.000e-02 9.020e-03 -2.000 -2.045 -0.045 -1.16
NaOH 4.550e-12 4.561e-12 -11.342 -11.341 0.001 NaOH 4.550e-12 4.561e-12 -11.342 -11.341 0.001 (0)
O(0) 5.466e-04 O(0) 5.466e-04
O2 2.733e-04 2.739e-04 -3.563 -3.562 0.001 O2 2.733e-04 2.739e-04 -3.563 -3.562 0.001 (0)
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
@ -1068,40 +1068,40 @@ O2(g) -0.67 -3.56 -2.89 1.000e+01 1.000e+01 -5.394e-07
----------------------------Distribution of species---------------------------- ----------------------------Distribution of species----------------------------
Log Log Log Log Log Log mole V
Species Molality Activity Molality Activity Gamma Species Molality Activity Molality Activity Gamma cm3/mol
H+ 1.624e-05 1.482e-05 -4.789 -4.829 -0.040 H+ 1.624e-05 1.482e-05 -4.789 -4.829 -0.040 0.00
OH- 7.509e-10 6.751e-10 -9.124 -9.171 -0.046 OH- 7.509e-10 6.751e-10 -9.124 -9.171 -0.046 (0)
H2O 5.551e+01 9.996e-01 1.744 -0.000 0.000 H2O 5.551e+01 9.996e-01 1.744 -0.000 0.000 18.07
Cl 1.020e-02 Cl 1.020e-02
Cl- 1.020e-02 9.172e-03 -1.991 -2.038 -0.046 Cl- 1.020e-02 9.172e-03 -1.991 -2.038 -0.046 17.87
Fe_diCl+ 7.581e-07 6.830e-07 -6.120 -6.166 -0.045 Fe_diCl+ 7.581e-07 6.830e-07 -6.120 -6.166 -0.045 (0)
Fe_triCl+2 6.322e-10 4.164e-10 -9.199 -9.380 -0.181 Fe_triCl+2 6.322e-10 4.164e-10 -9.199 -9.380 -0.181 (0)
Fe_triCl2+ 1.894e-11 1.706e-11 -10.723 -10.768 -0.045 Fe_triCl2+ 1.894e-11 1.706e-11 -10.723 -10.768 -0.045 (0)
Fe_triCl3 1.561e-14 1.565e-14 -13.807 -13.806 0.001 Fe_triCl3 1.561e-14 1.565e-14 -13.807 -13.806 0.001 (0)
Fe_di 8.265e-05 Fe_di 8.265e-05
Fe_di+2 8.189e-05 5.395e-05 -4.087 -4.268 -0.181 Fe_di+2 8.189e-05 5.395e-05 -4.087 -4.268 -0.181 (0)
Fe_diCl+ 7.581e-07 6.830e-07 -6.120 -6.166 -0.045 Fe_diCl+ 7.581e-07 6.830e-07 -6.120 -6.166 -0.045 (0)
Fe_diOH+ 1.277e-09 1.150e-09 -8.894 -8.939 -0.045 Fe_diOH+ 1.277e-09 1.150e-09 -8.894 -8.939 -0.045 (0)
Fe_tri 1.735e-05 Fe_tri 1.735e-05
Fe_tri(OH)2+ 1.622e-05 1.462e-05 -4.790 -4.835 -0.045 Fe_tri(OH)2+ 1.622e-05 1.462e-05 -4.790 -4.835 -0.045 (0)
Fe_triOH+2 9.937e-07 6.546e-07 -6.003 -6.184 -0.181 Fe_triOH+2 9.937e-07 6.546e-07 -6.003 -6.184 -0.181 (0)
Fe_tri(OH)3 1.267e-07 1.270e-07 -6.897 -6.896 0.001 Fe_tri(OH)3 1.267e-07 1.270e-07 -6.897 -6.896 0.001 (0)
Fe_tri+3 3.845e-09 1.503e-09 -8.415 -8.823 -0.408 Fe_tri+3 3.845e-09 1.503e-09 -8.415 -8.823 -0.408 (0)
Fe_triCl+2 6.322e-10 4.164e-10 -9.199 -9.380 -0.181 Fe_triCl+2 6.322e-10 4.164e-10 -9.199 -9.380 -0.181 (0)
Fe_tri2(OH)2+4 6.124e-11 1.153e-11 -10.213 -10.938 -0.725 Fe_tri2(OH)2+4 6.124e-11 1.153e-11 -10.213 -10.938 -0.725 (0)
Fe_triCl2+ 1.894e-11 1.706e-11 -10.723 -10.768 -0.045 Fe_triCl2+ 1.894e-11 1.706e-11 -10.723 -10.768 -0.045 (0)
Fe_tri(OH)4- 8.668e-12 7.809e-12 -11.062 -11.107 -0.045 Fe_tri(OH)4- 8.668e-12 7.809e-12 -11.062 -11.107 -0.045 (0)
Fe_tri3(OH)4+5 4.783e-13 3.522e-14 -12.320 -13.453 -1.133 Fe_tri3(OH)4+5 4.783e-13 3.522e-14 -12.320 -13.453 -1.133 (0)
Fe_triCl3 1.561e-14 1.565e-14 -13.807 -13.806 0.001 Fe_triCl3 1.561e-14 1.565e-14 -13.807 -13.806 0.001 (0)
H(0) 0.000e+00 H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -44.410 -44.409 0.001 H2 0.000e+00 0.000e+00 -44.410 -44.409 0.001 (0)
Na 1.000e-02 Na 1.000e-02
Na+ 1.000e-02 9.020e-03 -2.000 -2.045 -0.045 Na+ 1.000e-02 9.020e-03 -2.000 -2.045 -0.045 -1.16
NaOH 4.009e-12 4.019e-12 -11.397 -11.396 0.001 NaOH 4.009e-12 4.019e-12 -11.397 -11.396 0.001 (0)
O(0) 5.466e-04 O(0) 5.466e-04
O2 2.733e-04 2.739e-04 -3.563 -3.562 0.001 O2 2.733e-04 2.739e-04 -3.563 -3.562 0.001 (0)
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
@ -1166,40 +1166,40 @@ O2(g) -0.67 -3.56 -2.89 1.000e+01 1.000e+01 -4.279e-07
----------------------------Distribution of species---------------------------- ----------------------------Distribution of species----------------------------
Log Log Log Log Log Log mole V
Species Molality Activity Molality Activity Gamma Species Molality Activity Molality Activity Gamma cm3/mol
H+ 1.776e-05 1.621e-05 -4.751 -4.790 -0.040 H+ 1.776e-05 1.621e-05 -4.751 -4.790 -0.040 0.00
OH- 6.869e-10 6.175e-10 -9.163 -9.209 -0.046 OH- 6.869e-10 6.175e-10 -9.163 -9.209 -0.046 (0)
H2O 5.551e+01 9.996e-01 1.744 -0.000 0.000 H2O 5.551e+01 9.996e-01 1.744 -0.000 0.000 18.07
Cl 1.020e-02 Cl 1.020e-02
Cl- 1.020e-02 9.172e-03 -1.991 -2.038 -0.046 Cl- 1.020e-02 9.172e-03 -1.991 -2.038 -0.046 17.87
Fe_diCl+ 7.425e-07 6.689e-07 -6.129 -6.175 -0.045 Fe_diCl+ 7.425e-07 6.689e-07 -6.129 -6.175 -0.045 (0)
Fe_triCl+2 8.261e-10 5.442e-10 -9.083 -9.264 -0.181 Fe_triCl+2 8.261e-10 5.442e-10 -9.083 -9.264 -0.181 (0)
Fe_triCl2+ 2.475e-11 2.230e-11 -10.606 -10.652 -0.045 Fe_triCl2+ 2.475e-11 2.230e-11 -10.606 -10.652 -0.045 (0)
Fe_triCl3 2.040e-14 2.045e-14 -13.690 -13.689 0.001 Fe_triCl3 2.040e-14 2.045e-14 -13.690 -13.689 0.001 (0)
Fe_di 8.094e-05 Fe_di 8.094e-05
Fe_di+2 8.020e-05 5.283e-05 -4.096 -4.277 -0.181 Fe_di+2 8.020e-05 5.283e-05 -4.096 -4.277 -0.181 (0)
Fe_diCl+ 7.425e-07 6.689e-07 -6.129 -6.175 -0.045 Fe_diCl+ 7.425e-07 6.689e-07 -6.129 -6.175 -0.045 (0)
Fe_diOH+ 1.144e-09 1.031e-09 -8.942 -8.987 -0.045 Fe_diOH+ 1.144e-09 1.031e-09 -8.942 -8.987 -0.045 (0)
Fe_tri 1.906e-05 Fe_tri 1.906e-05
Fe_tri(OH)2+ 1.774e-05 1.598e-05 -4.751 -4.796 -0.045 Fe_tri(OH)2+ 1.774e-05 1.598e-05 -4.751 -4.796 -0.045 (0)
Fe_triOH+2 1.188e-06 7.825e-07 -5.925 -6.107 -0.181 Fe_triOH+2 1.188e-06 7.825e-07 -5.925 -6.107 -0.181 (0)
Fe_tri(OH)3 1.267e-07 1.270e-07 -6.897 -6.896 0.001 Fe_tri(OH)3 1.267e-07 1.270e-07 -6.897 -6.896 0.001 (0)
Fe_tri+3 5.025e-09 1.965e-09 -8.299 -8.707 -0.408 Fe_tri+3 5.025e-09 1.965e-09 -8.299 -8.707 -0.408 (0)
Fe_triCl+2 8.261e-10 5.442e-10 -9.083 -9.264 -0.181 Fe_triCl+2 8.261e-10 5.442e-10 -9.083 -9.264 -0.181 (0)
Fe_tri2(OH)2+4 8.749e-11 1.648e-11 -10.058 -10.783 -0.725 Fe_tri2(OH)2+4 8.749e-11 1.648e-11 -10.058 -10.783 -0.725 (0)
Fe_triCl2+ 2.475e-11 2.230e-11 -10.606 -10.652 -0.045 Fe_triCl2+ 2.475e-11 2.230e-11 -10.606 -10.652 -0.045 (0)
Fe_tri(OH)4- 7.930e-12 7.145e-12 -11.101 -11.146 -0.045 Fe_tri(OH)4- 7.930e-12 7.145e-12 -11.101 -11.146 -0.045 (0)
Fe_tri3(OH)4+5 7.472e-13 5.503e-14 -12.127 -13.259 -1.133 Fe_tri3(OH)4+5 7.472e-13 5.503e-14 -12.127 -13.259 -1.133 (0)
Fe_triCl3 2.040e-14 2.045e-14 -13.690 -13.689 0.001 Fe_triCl3 2.040e-14 2.045e-14 -13.690 -13.689 0.001 (0)
H(0) 0.000e+00 H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -44.410 -44.409 0.001 H2 0.000e+00 0.000e+00 -44.410 -44.409 0.001 (0)
Na 1.000e-02 Na 1.000e-02
Na+ 1.000e-02 9.020e-03 -2.000 -2.045 -0.045 Na+ 1.000e-02 9.020e-03 -2.000 -2.045 -0.045 -1.16
NaOH 3.667e-12 3.676e-12 -11.436 -11.435 0.001 NaOH 3.667e-12 3.676e-12 -11.436 -11.435 0.001 (0)
O(0) 5.466e-04 O(0) 5.466e-04
O2 2.733e-04 2.739e-04 -3.563 -3.562 0.001 O2 2.733e-04 2.739e-04 -3.563 -3.562 0.001 (0)
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
@ -1264,40 +1264,40 @@ O2(g) -0.67 -3.56 -2.89 1.000e+01 1.000e+01 -3.603e-07
----------------------------Distribution of species---------------------------- ----------------------------Distribution of species----------------------------
Log Log Log Log Log Log mole V
Species Molality Activity Molality Activity Gamma Species Molality Activity Molality Activity Gamma cm3/mol
H+ 1.902e-05 1.736e-05 -4.721 -4.760 -0.040 H+ 1.902e-05 1.736e-05 -4.721 -4.760 -0.040 0.00
OH- 6.413e-10 5.765e-10 -9.193 -9.239 -0.046 OH- 6.413e-10 5.765e-10 -9.193 -9.239 -0.046 (0)
H2O 5.551e+01 9.996e-01 1.744 -0.000 0.000 H2O 5.551e+01 9.996e-01 1.744 -0.000 0.000 18.07
Cl 1.020e-02 Cl 1.020e-02
Cl- 1.020e-02 9.172e-03 -1.991 -2.038 -0.046 Cl- 1.020e-02 9.172e-03 -1.991 -2.038 -0.046 17.87
Fe_diCl+ 7.293e-07 6.570e-07 -6.137 -6.182 -0.045 Fe_diCl+ 7.293e-07 6.570e-07 -6.137 -6.182 -0.045 (0)
Fe_triCl+2 1.015e-09 6.689e-10 -8.993 -9.175 -0.181 Fe_triCl+2 1.015e-09 6.689e-10 -8.993 -9.175 -0.181 (0)
Fe_triCl2+ 3.042e-11 2.740e-11 -10.517 -10.562 -0.045 Fe_triCl2+ 3.042e-11 2.740e-11 -10.517 -10.562 -0.045 (0)
Fe_triCl3 2.508e-14 2.513e-14 -13.601 -13.600 0.001 Fe_triCl3 2.508e-14 2.513e-14 -13.601 -13.600 0.001 (0)
Fe_di 7.950e-05 Fe_di 7.950e-05
Fe_di+2 7.877e-05 5.189e-05 -4.104 -4.285 -0.181 Fe_di+2 7.877e-05 5.189e-05 -4.104 -4.285 -0.181 (0)
Fe_diCl+ 7.293e-07 6.570e-07 -6.137 -6.182 -0.045 Fe_diCl+ 7.293e-07 6.570e-07 -6.137 -6.182 -0.045 (0)
Fe_diOH+ 1.049e-09 9.450e-10 -8.979 -9.025 -0.045 Fe_diOH+ 1.049e-09 9.450e-10 -8.979 -9.025 -0.045 (0)
Fe_tri 2.050e-05 Fe_tri 2.050e-05
Fe_tri(OH)2+ 1.900e-05 1.712e-05 -4.721 -4.766 -0.045 Fe_tri(OH)2+ 1.900e-05 1.712e-05 -4.721 -4.766 -0.045 (0)
Fe_triOH+2 1.363e-06 8.979e-07 -5.866 -6.047 -0.181 Fe_triOH+2 1.363e-06 8.979e-07 -5.866 -6.047 -0.181 (0)
Fe_tri(OH)3 1.267e-07 1.270e-07 -6.897 -6.896 0.001 Fe_tri(OH)3 1.267e-07 1.270e-07 -6.897 -6.896 0.001 (0)
Fe_tri+3 6.176e-09 2.415e-09 -8.209 -8.617 -0.408 Fe_tri+3 6.176e-09 2.415e-09 -8.209 -8.617 -0.408 (0)
Fe_triCl+2 1.015e-09 6.689e-10 -8.993 -9.175 -0.181 Fe_triCl+2 1.015e-09 6.689e-10 -8.993 -9.175 -0.181 (0)
Fe_tri2(OH)2+4 1.152e-10 2.170e-11 -9.939 -10.664 -0.725 Fe_tri2(OH)2+4 1.152e-10 2.170e-11 -9.939 -10.664 -0.725 (0)
Fe_triCl2+ 3.042e-11 2.740e-11 -10.517 -10.562 -0.045 Fe_triCl2+ 3.042e-11 2.740e-11 -10.517 -10.562 -0.045 (0)
Fe_tri(OH)4- 7.405e-12 6.671e-12 -11.130 -11.176 -0.045 Fe_tri(OH)4- 7.405e-12 6.671e-12 -11.130 -11.176 -0.045 (0)
Fe_tri3(OH)4+5 1.054e-12 7.762e-14 -11.977 -13.110 -1.133 Fe_tri3(OH)4+5 1.054e-12 7.762e-14 -11.977 -13.110 -1.133 (0)
Fe_triCl3 2.508e-14 2.513e-14 -13.601 -13.600 0.001 Fe_triCl3 2.508e-14 2.513e-14 -13.601 -13.600 0.001 (0)
H(0) 0.000e+00 H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -44.410 -44.409 0.001 H2 0.000e+00 0.000e+00 -44.410 -44.409 0.001 (0)
Na 1.000e-02 Na 1.000e-02
Na+ 1.000e-02 9.020e-03 -2.000 -2.045 -0.045 Na+ 1.000e-02 9.020e-03 -2.000 -2.045 -0.045 -1.16
NaOH 3.424e-12 3.432e-12 -11.465 -11.464 0.001 NaOH 3.424e-12 3.432e-12 -11.465 -11.464 0.001 (0)
O(0) 5.466e-04 O(0) 5.466e-04
O2 2.733e-04 2.739e-04 -3.563 -3.562 0.001 O2 2.733e-04 2.739e-04 -3.563 -3.562 0.001 (0)
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------