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git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@6031 1feff8c3-07ed-0310-ac33-dd36852eb9cd
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David L Parkhurst 2012-01-11 16:15:18 +00:00
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ex1.out
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@ -143,139 +143,139 @@ Initial solution 1. SEAWATER FROM NORDSTROM AND OTHERS (1979)
----------------------------Distribution of species----------------------------
Log Log Log
Species Molality Activity Molality Activity Gamma
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 2.674e-06 1.629e-06 -5.573 -5.788 -0.215
H+ 7.981e-09 6.026e-09 -8.098 -8.220 -0.122
H2O 5.551e+01 9.806e-01 1.744 -0.009 0.000
C(4) 2.180e-03
HCO3- 1.514e-03 1.023e-03 -2.820 -2.990 -0.170
MgHCO3+ 2.195e-04 1.640e-04 -3.658 -3.785 -0.127
NaHCO3 1.667e-04 1.948e-04 -3.778 -3.710 0.067
MgCO3 8.913e-05 1.041e-04 -4.050 -3.982 0.067
NaCO3- 6.718e-05 5.020e-05 -4.173 -4.299 -0.127
CaHCO3+ 4.597e-05 3.106e-05 -4.337 -4.508 -0.170
CO3-2 3.821e-05 7.959e-06 -4.418 -5.099 -0.681
CaCO3 2.725e-05 3.183e-05 -4.565 -4.497 0.067
CO2 1.210e-05 1.413e-05 -4.917 -4.850 0.067
UO2(CO3)3-4 1.255e-08 1.184e-10 -7.901 -9.927 -2.025
UO2(CO3)2-2 1.814e-09 5.653e-10 -8.741 -9.248 -0.506
MnCO3 2.696e-10 3.150e-10 -9.569 -9.502 0.067
MnHCO3+ 6.077e-11 4.541e-11 -10.216 -10.343 -0.127
UO2CO3 7.429e-12 8.678e-12 -11.129 -11.062 0.067
FeCO3 1.878e-20 2.194e-20 -19.726 -19.659 0.067
FeHCO3+ 1.573e-20 1.175e-20 -19.803 -19.930 -0.127
Ca 1.066e-02
Ca+2 9.504e-03 2.380e-03 -2.022 -2.623 -0.601
CaSO4 1.083e-03 1.266e-03 -2.965 -2.898 0.067
CaHCO3+ 4.597e-05 3.106e-05 -4.337 -4.508 -0.170
CaCO3 2.725e-05 3.183e-05 -4.565 -4.497 0.067
CaOH+ 8.604e-08 6.429e-08 -7.065 -7.192 -0.127
CaHSO4+ 5.979e-11 4.467e-11 -10.223 -10.350 -0.127
Cl 5.657e-01
Cl- 5.657e-01 3.528e-01 -0.247 -0.452 -0.205
MnCl+ 9.582e-10 7.160e-10 -9.019 -9.145 -0.127
MnCl2 9.439e-11 1.103e-10 -10.025 -9.958 0.067
MnCl3- 1.434e-11 1.071e-11 -10.844 -10.970 -0.127
FeCl+2 9.557e-19 2.978e-19 -18.020 -18.526 -0.506
FeCl2+ 6.281e-19 4.693e-19 -18.202 -18.329 -0.127
FeCl+ 7.488e-20 5.595e-20 -19.126 -19.252 -0.127
FeCl3 1.417e-20 1.656e-20 -19.849 -19.781 0.067
Fe(2) 6.645e-19
Fe+2 5.006e-19 1.149e-19 -18.301 -18.940 -0.639
FeCl+ 7.488e-20 5.595e-20 -19.126 -19.252 -0.127
FeSO4 4.660e-20 5.444e-20 -19.332 -19.264 0.067
FeCO3 1.878e-20 2.194e-20 -19.726 -19.659 0.067
FeHCO3+ 1.573e-20 1.175e-20 -19.803 -19.930 -0.127
FeOH+ 7.913e-21 5.912e-21 -20.102 -20.228 -0.127
FeHSO4+ 2.886e-27 2.156e-27 -26.540 -26.666 -0.127
Fe(3) 3.711e-08
Fe(OH)3 2.841e-08 3.318e-08 -7.547 -7.479 0.067
Fe(OH)4- 6.591e-09 4.924e-09 -8.181 -8.308 -0.127
Fe(OH)2+ 2.118e-09 1.583e-09 -8.674 -8.801 -0.127
FeOH+2 9.425e-14 2.937e-14 -13.026 -13.532 -0.506
FeSO4+ 1.093e-18 8.167e-19 -17.961 -18.088 -0.127
FeCl+2 9.557e-19 2.978e-19 -18.020 -18.526 -0.506
FeCl2+ 6.281e-19 4.693e-19 -18.202 -18.329 -0.127
Fe+3 3.509e-19 2.796e-20 -18.455 -19.554 -1.099
Fe(SO4)2- 6.372e-20 4.761e-20 -19.196 -19.322 -0.127
FeCl3 1.417e-20 1.656e-20 -19.849 -19.781 0.067
Fe2(OH)2+4 2.462e-24 2.322e-26 -23.609 -25.634 -2.025
FeHSO4+2 4.228e-26 1.318e-26 -25.374 -25.880 -0.506
Fe3(OH)4+5 1.122e-29 7.679e-33 -28.950 -32.115 -3.165
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -44.470 -44.402 0.067
K 1.058e-02
K+ 1.042e-02 6.495e-03 -1.982 -2.187 -0.205
KSO4- 1.627e-04 1.216e-04 -3.789 -3.915 -0.127
KOH 3.137e-09 3.665e-09 -8.503 -8.436 0.067
Mg 5.507e-02
Mg+2 4.742e-02 1.371e-02 -1.324 -1.863 -0.539
MgSO4 7.330e-03 8.562e-03 -2.135 -2.067 0.067
MgHCO3+ 2.195e-04 1.640e-04 -3.658 -3.785 -0.127
MgCO3 8.913e-05 1.041e-04 -4.050 -3.982 0.067
MgOH+ 1.084e-05 8.100e-06 -4.965 -5.092 -0.127
Mn(2) 3.773e-09
Mn+2 2.171e-09 4.982e-10 -8.663 -9.303 -0.639
MnCl+ 9.582e-10 7.160e-10 -9.019 -9.145 -0.127
MnCO3 2.696e-10 3.150e-10 -9.569 -9.502 0.067
MnSO4 2.021e-10 2.360e-10 -9.695 -9.627 0.067
MnCl2 9.439e-11 1.103e-10 -10.025 -9.958 0.067
MnHCO3+ 6.077e-11 4.541e-11 -10.216 -10.343 -0.127
MnCl3- 1.434e-11 1.071e-11 -10.844 -10.970 -0.127
MnOH+ 2.789e-12 2.084e-12 -11.555 -11.681 -0.127
Mn(NO3)2 1.375e-20 1.607e-20 -19.862 -19.794 0.067
Mn(3) 5.993e-26
Mn+3 5.993e-26 4.349e-27 -25.222 -26.362 -1.139
N(-3) 1.724e-06
NH4+ 1.609e-06 9.049e-07 -5.794 -6.043 -0.250
NH3 7.326e-08 8.558e-08 -7.135 -7.068 0.067
NH4SO4- 4.157e-08 3.106e-08 -7.381 -7.508 -0.127
N(5) 4.847e-06
NO3- 4.847e-06 2.846e-06 -5.314 -5.546 -0.231
Mn(NO3)2 1.375e-20 1.607e-20 -19.862 -19.794 0.067
Na 4.854e-01
Na+ 4.791e-01 3.387e-01 -0.320 -0.470 -0.151
NaSO4- 6.053e-03 4.523e-03 -2.218 -2.345 -0.127
NaHCO3 1.667e-04 1.948e-04 -3.778 -3.710 0.067
NaCO3- 6.718e-05 5.020e-05 -4.173 -4.299 -0.127
NaOH 3.117e-07 3.641e-07 -6.506 -6.439 0.067
O(0) 4.377e-04
O2 2.189e-04 2.556e-04 -3.660 -3.592 0.067
S(6) 2.926e-02
SO4-2 1.463e-02 2.664e-03 -1.835 -2.574 -0.740
MgSO4 7.330e-03 8.562e-03 -2.135 -2.067 0.067
NaSO4- 6.053e-03 4.523e-03 -2.218 -2.345 -0.127
CaSO4 1.083e-03 1.266e-03 -2.965 -2.898 0.067
KSO4- 1.627e-04 1.216e-04 -3.789 -3.915 -0.127
NH4SO4- 4.157e-08 3.106e-08 -7.381 -7.508 -0.127
HSO4- 2.089e-09 1.561e-09 -8.680 -8.807 -0.127
MnSO4 2.021e-10 2.360e-10 -9.695 -9.627 0.067
CaHSO4+ 5.979e-11 4.467e-11 -10.223 -10.350 -0.127
FeSO4+ 1.093e-18 8.167e-19 -17.961 -18.088 -0.127
Fe(SO4)2- 6.372e-20 4.761e-20 -19.196 -19.322 -0.127
FeSO4 4.660e-20 5.444e-20 -19.332 -19.264 0.067
FeHSO4+2 4.228e-26 1.318e-26 -25.374 -25.880 -0.506
FeHSO4+ 2.886e-27 2.156e-27 -26.540 -26.666 -0.127
Si 7.382e-05
H4SiO4 7.110e-05 8.306e-05 -4.148 -4.081 0.067
H3SiO4- 2.720e-06 2.032e-06 -5.565 -5.692 -0.127
H2SiO4-2 7.362e-11 2.294e-11 -10.133 -10.639 -0.506
U(4) 1.034e-21
U(OH)5- 1.034e-21 7.725e-22 -20.985 -21.112 -0.127
U(OH)4 1.652e-25 1.930e-25 -24.782 -24.715 0.067
U+4 0.000e+00 0.000e+00 -46.997 -49.022 -2.025
U(5) 1.622e-18
UO2+ 1.622e-18 1.212e-18 -17.790 -17.916 -0.127
U(6) 1.437e-08
UO2(CO3)3-4 1.255e-08 1.184e-10 -7.901 -9.927 -2.025
UO2(CO3)2-2 1.814e-09 5.653e-10 -8.741 -9.248 -0.506
UO2CO3 7.429e-12 8.678e-12 -11.129 -11.062 0.067
UO2OH+ 3.385e-14 2.530e-14 -13.470 -13.597 -0.127
UO2+2 3.019e-16 9.409e-17 -15.520 -16.026 -0.506
(UO2)2(OH)2+2 1.780e-21 5.547e-22 -20.750 -21.256 -0.506
(UO2)3(OH)5+ 2.908e-23 2.173e-23 -22.536 -22.663 -0.127
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 0.00
H2O 5.551e+01 9.806e-01 1.744 -0.009 0.000 18.07
C(4) 2.180e-03
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 (0)
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 (0)
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 (0)
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 (0)
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 (0)
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 (0)
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 (0)
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 (0)
Ca 1.066e-02
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 (0)
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 (0)
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 (0)
Cl 5.657e-01
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 (0)
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 (0)
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 (0)
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 (0)
Fe(2) 6.645e-19
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 (0)
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 (0)
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 (0)
FeHSO4+ 2.886e-27 2.156e-27 -26.540 -26.666 -0.127 (0)
Fe(3) 3.711e-08
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 (0)
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 (0)
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 (0)
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 (0)
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 (0)
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 (0)
Fe3(OH)4+5 1.122e-29 7.679e-33 -28.950 -32.115 -3.165 (0)
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -44.470 -44.402 0.067 (0)
K 1.058e-02
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 (0)
KOH 3.137e-09 3.665e-09 -8.503 -8.436 0.067 (0)
Mg 5.507e-02
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 (0)
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 (0)
MgOH+ 1.084e-05 8.100e-06 -4.965 -5.092 -0.127 (0)
Mn(2) 3.773e-09
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 (0)
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 (0)
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 (0)
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 (0)
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 4.349e-27 -25.222 -26.362 -1.139 (0)
N(-3) 1.724e-06
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 (0)
NH4SO4- 4.157e-08 3.106e-08 -7.381 -7.508 -0.127 (0)
N(5) 4.847e-06
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 (0)
Na 4.854e-01
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 (0)
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 (0)
NaOH 3.117e-07 3.641e-07 -6.506 -6.439 0.067 (0)
O(0) 4.377e-04
O2 2.189e-04 2.556e-04 -3.660 -3.592 0.067 (0)
S(6) 2.926e-02
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 (0)
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 (0)
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 (0)
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 (0)
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 (0)
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 (0)
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 (0)
Si 7.382e-05
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 (0)
H2SiO4-2 7.362e-11 2.294e-11 -10.133 -10.639 -0.506 (0)
U(4) 1.034e-21
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 (0)
U+4 0.000e+00 0.000e+00 -46.997 -49.022 -2.025 (0)
U(5) 1.622e-18
UO2+ 1.622e-18 1.212e-18 -17.790 -17.916 -0.127 (0)
U(6) 1.437e-08
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 (0)
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 (0)
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 (0)
(UO2)3(OH)5+ 2.908e-23 2.173e-23 -22.536 -22.663 -0.127 (0)
------------------------------Saturation indices-------------------------------

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

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

102
ex13a.out
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@ -71,23 +71,23 @@ Initial solution 0.
----------------------------Distribution of species----------------------------
Log Log Log
Species Molality Activity Molality Activity Gamma
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 1.046e-07 1.001e-07 -6.981 -7.000 -0.019
H+ 1.042e-07 1.000e-07 -6.982 -7.000 -0.018
H2O 5.551e+01 9.999e-01 1.744 -0.000 0.000
Cl 1.000e-03
Cl- 1.000e-03 9.576e-04 -3.000 -3.019 -0.019
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -44.394 -44.394 0.000
N(5) 1.000e-03
NO3- 1.000e-03 9.573e-04 -3.000 -3.019 -0.019
Na 1.000e-03
Na+ 1.000e-03 9.580e-04 -3.000 -3.019 -0.019
NaOH 6.327e-11 6.329e-11 -10.199 -10.199 0.000
O(0) 5.111e-04
O2 2.556e-04 2.556e-04 -3.593 -3.592 0.000
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 0.00
H2O 5.551e+01 9.999e-01 1.744 -0.000 0.000 18.07
Cl 1.000e-03
Cl- 1.000e-03 9.576e-04 -3.000 -3.019 -0.019 17.82
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -44.394 -44.394 0.000 (0)
N(5) 1.000e-03
NO3- 1.000e-03 9.573e-04 -3.000 -3.019 -0.019 28.99
Na 1.000e-03
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 (0)
O(0) 5.111e-04
O2 2.556e-04 2.556e-04 -3.593 -3.592 0.000 (0)
------------------------------Saturation indices-------------------------------
@ -155,21 +155,21 @@ Initial solution 1.
----------------------------Distribution of species----------------------------
Log Log Log
Species Molality Activity Molality Activity Gamma
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 1.038e-07 1.001e-07 -6.984 -7.000 -0.016
H+ 1.034e-07 1.000e-07 -6.985 -7.000 -0.015
H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -44.394 -44.394 0.000
K 1.000e-03
K+ 1.000e-03 9.649e-04 -3.000 -3.016 -0.016
KOH 3.345e-11 3.346e-11 -10.476 -10.476 0.000
N(5) 1.000e-03
NO3- 1.000e-03 9.647e-04 -3.000 -3.016 -0.016
O(0) 5.112e-04
O2 2.556e-04 2.556e-04 -3.592 -3.592 0.000
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 0.00
H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -44.394 -44.394 0.000 (0)
K 1.000e-03
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 (0)
N(5) 1.000e-03
NO3- 1.000e-03 9.647e-04 -3.000 -3.016 -0.016 29.01
O(0) 5.112e-04
O2 2.556e-04 2.556e-04 -3.592 -3.592 0.000 (0)
------------------------------Saturation indices-------------------------------
@ -240,28 +240,28 @@ X 1.000e-03 mol
----------------------------Distribution of species----------------------------
Log Log Log
Species Molality Activity Molality Activity Gamma
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 1.038e-07 1.001e-07 -6.984 -7.000 -0.016
H+ 1.034e-07 1.000e-07 -6.985 -7.000 -0.015
H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -44.394 -44.394 0.000
K 1.000e-03
K+ 1.000e-03 9.649e-04 -3.000 -3.016 -0.016
KOH 3.345e-11 3.346e-11 -10.476 -10.476 0.000
N(-3) 0.000e+00
NH4+ 0.000e+00 0.000e+00 -62.898 -62.914 -0.016
NH3 0.000e+00 0.000e+00 -65.158 -65.158 0.000
N(0) 1.351e-19
N2 6.755e-20 6.756e-20 -19.170 -19.170 0.000
N(3) 2.119e-16
NO2- 2.119e-16 2.044e-16 -15.674 -15.689 -0.016
N(5) 1.000e-03
NO3- 1.000e-03 9.647e-04 -3.000 -3.016 -0.016
O(0) 5.112e-04
O2 2.556e-04 2.556e-04 -3.592 -3.592 0.000
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 0.00
H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -44.394 -44.394 0.000 (0)
K 1.000e-03
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 (0)
N(-3) 0.000e+00
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 (0)
N(0) 1.351e-19
N2 6.755e-20 6.756e-20 -19.170 -19.170 0.000 (0)
N(3) 2.119e-16
NO2- 2.119e-16 2.044e-16 -15.674 -15.689 -0.016 (0)
N(5) 1.000e-03
NO3- 1.000e-03 9.647e-04 -3.000 -3.016 -0.016 29.00
O(0) 5.112e-04
O2 2.556e-04 2.556e-04 -3.592 -3.592 0.000 (0)
------------------------------Saturation indices-------------------------------

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

102
ex13b.out
View File

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

102
ex13c.out
View File

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

660
ex14.out
View File

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

224
ex16.out
View File

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

104
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@ -112,35 +112,35 @@ Initial solution 1. Black Sea water
MacInnes MacInnes
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
H+ 1.290e-08 1.000e-08 -7.889 -8.000 -0.111
H2O 5.551e+01 9.903e-01 1.744 -0.004 0.000
Br 4.401e-04
Br- 4.401e-04 3.004e-04 -3.356 -3.522 -0.166
C(4) 8.426e-04
HCO3- 7.975e-04 4.902e-04 -3.098 -3.310 -0.211
CO3-2 1.598e-05 2.244e-06 -4.796 -5.649 -0.853
MgCO3 1.429e-05 1.429e-05 -4.845 -4.845 0.000
CO2 1.010e-05 1.077e-05 -4.996 -4.968 0.028
CaCO3 4.680e-06 4.680e-06 -5.330 -5.330 0.000
Ca 5.841e-03
Ca+2 5.837e-03 1.472e-03 -2.234 -2.832 -0.598
CaCO3 4.680e-06 4.680e-06 -5.330 -5.330 0.000
Cl 2.930e-01
Cl- 2.930e-01 1.960e-01 -0.533 -0.708 -0.175
K 4.960e-03
K+ 4.960e-03 3.418e-03 -2.305 -2.466 -0.162
Mg 2.807e-02
Mg+2 2.805e-02 7.511e-03 -1.552 -2.124 -0.572
MgCO3 1.429e-05 1.429e-05 -4.845 -4.845 0.000
MgOH+ 1.244e-06 1.155e-06 -5.905 -5.938 -0.032
Na 2.544e-01
Na+ 2.544e-01 1.836e-01 -0.595 -0.736 -0.142
S(6) 1.527e-02
SO4-2 1.527e-02 2.118e-03 -1.816 -2.674 -0.858
HSO4- 2.952e-09 2.017e-09 -8.530 -8.695 -0.165
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 0.00
H2O 5.551e+01 9.903e-01 1.744 -0.004 0.000 18.07
Br 4.401e-04
Br- 4.401e-04 3.004e-04 -3.356 -3.522 -0.166 24.71
C(4) 8.426e-04
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 -3.78
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 (0)
CaCO3 4.680e-06 4.680e-06 -5.330 -5.330 0.000 (0)
Ca 5.841e-03
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 (0)
Cl 2.930e-01
Cl- 2.930e-01 1.960e-01 -0.533 -0.708 -0.175 17.82
K 4.960e-03
K+ 4.960e-03 3.418e-03 -2.305 -2.466 -0.162 9.03
Mg 2.807e-02
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 (0)
MgOH+ 1.244e-06 1.155e-06 -5.905 -5.938 -0.032 (0)
Na 2.544e-01
Na+ 2.544e-01 1.836e-01 -0.595 -0.736 -0.142 -1.21
S(6) 1.527e-02
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 (0)
------------------------------Saturation indices-------------------------------
@ -226,31 +226,31 @@ Initial solution 2. Composition during halite precipitation
MacInnes MacInnes
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
OH- 1.202e-08 6.837e-10 -7.920 -9.165 -1.245
H2O 5.551e+01 6.806e-01 1.744 -0.167 0.000
Br 3.785e-02
Br- 3.785e-02 4.950e-02 -1.422 -1.305 0.116
C(4) 6.839e-06
HCO3- 4.519e-06 3.369e-07 -5.345 -6.473 -1.128
CO2 2.248e-06 1.077e-05 -5.648 -4.968 0.680
MgCO3 6.655e-08 6.655e-08 -7.177 -7.177 0.000
CO3-2 5.827e-09 1.543e-12 -8.235 -11.812 -3.577
Cl 6.004e+00
Cl- 6.004e+00 4.512e+00 0.778 0.654 -0.124
K 4.578e-01
K+ 4.578e-01 4.785e-01 -0.339 -0.320 0.019
Mg 2.354e+00
Mg+2 2.354e+00 5.091e+01 0.372 1.707 1.335
MgOH+ 6.271e-06 5.379e-06 -5.203 -5.269 -0.067
MgCO3 6.655e-08 6.655e-08 -7.177 -7.177 0.000
Na 2.720e+00
Na+ 2.720e+00 8.671e+00 0.435 0.938 0.503
S(6) 8.986e-01
SO4-2 8.986e-01 2.260e-03 -0.046 -2.646 -2.599
HSO4- 2.669e-06 2.153e-06 -5.574 -5.667 -0.093
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 (0)
H2O 5.551e+01 6.806e-01 1.744 -0.167 0.000 18.07
Br 3.785e-02
Br- 3.785e-02 4.950e-02 -1.422 -1.305 0.116 25.00
C(4) 6.839e-06
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 (0)
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 -2.64
Cl 6.004e+00
Cl- 6.004e+00 4.512e+00 0.778 0.654 -0.124 18.11
K 4.578e-01
K+ 4.578e-01 4.785e-01 -0.339 -0.320 0.019 9.32
Mg 2.354e+00
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 (0)
MgCO3 6.655e-08 6.655e-08 -7.177 -7.177 0.000 (0)
Na 2.720e+00
Na+ 2.720e+00 8.671e+00 0.435 0.938 0.503 -0.92
S(6) 8.986e-01
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 (0)
------------------------------Saturation indices-------------------------------

1344
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276
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@ -133,72 +133,72 @@ Initial solution 1. Recharge number 3
----------------------------Distribution of species----------------------------
Log Log Log
Species Molality Activity Molality Activity Gamma
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 1.120e-07 1.029e-07 -6.951 -6.988 -0.037
H+ 3.038e-08 2.818e-08 -7.517 -7.550 -0.033
H2O 5.551e+01 9.999e-01 1.744 -0.000 0.000
C(4) 4.300e-03
HCO3- 3.929e-03 3.623e-03 -2.406 -2.441 -0.035
CO2 2.970e-04 2.974e-04 -3.527 -3.527 0.001
MgHCO3+ 3.098e-05 2.850e-05 -4.509 -4.545 -0.036
CaHCO3+ 3.027e-05 2.792e-05 -4.519 -4.554 -0.035
CO3-2 5.765e-06 4.168e-06 -5.239 -5.380 -0.141
CaCO3 4.727e-06 4.734e-06 -5.325 -5.325 0.001
MgCO3 2.208e-06 2.211e-06 -5.656 -5.655 0.001
FeHCO3+ 2.086e-07 1.919e-07 -6.681 -6.717 -0.036
FeCO3 5.289e-08 5.297e-08 -7.277 -7.276 0.001
NaHCO3 3.737e-08 3.742e-08 -7.428 -7.427 0.001
NaCO3- 6.948e-10 6.391e-10 -9.158 -9.194 -0.036
Ca 1.200e-03
Ca+2 1.151e-03 8.317e-04 -2.939 -3.080 -0.141
CaHCO3+ 3.027e-05 2.792e-05 -4.519 -4.554 -0.035
CaSO4 1.393e-05 1.395e-05 -4.856 -4.855 0.001
CaCO3 4.727e-06 4.734e-06 -5.325 -5.325 0.001
CaOH+ 5.323e-09 4.897e-09 -8.274 -8.310 -0.036
CaHSO4+ 2.136e-12 1.965e-12 -11.670 -11.707 -0.036
Cl 2.000e-05
Cl- 2.000e-05 1.838e-05 -4.699 -4.736 -0.037
FeCl+ 1.461e-11 1.344e-11 -10.835 -10.872 -0.036
Fe(2) 1.000e-06
Fe+2 7.296e-07 5.298e-07 -6.137 -6.276 -0.139
FeHCO3+ 2.086e-07 1.919e-07 -6.681 -6.717 -0.036
FeCO3 5.289e-08 5.297e-08 -7.277 -7.276 0.001
FeSO4 6.861e-09 6.871e-09 -8.164 -8.163 0.001
FeOH+ 1.969e-09 1.811e-09 -8.706 -8.742 -0.036
FeCl+ 1.461e-11 1.344e-11 -10.835 -10.872 -0.036
FeHSO4+ 1.361e-15 1.252e-15 -14.866 -14.903 -0.036
H(0) 1.316e-18
H2 6.579e-19 6.588e-19 -18.182 -18.181 0.001
K 2.000e-05
K+ 1.999e-05 1.837e-05 -4.699 -4.736 -0.037
KSO4- 1.037e-08 9.538e-09 -7.984 -8.021 -0.036
KOH 2.256e-12 2.260e-12 -11.647 -11.646 0.001
Mg 1.010e-03
Mg+2 9.662e-04 7.011e-04 -3.015 -3.154 -0.139
MgHCO3+ 3.098e-05 2.850e-05 -4.509 -4.545 -0.036
MgSO4 1.063e-05 1.064e-05 -4.974 -4.973 0.001
MgCO3 2.208e-06 2.211e-06 -5.656 -5.655 0.001
MgOH+ 2.335e-08 2.148e-08 -7.632 -7.668 -0.036
Na 2.000e-05
Na+ 1.995e-05 1.837e-05 -4.700 -4.736 -0.036
NaHCO3 3.737e-08 3.742e-08 -7.428 -7.427 0.001
NaSO4- 8.826e-09 8.119e-09 -8.054 -8.090 -0.036
NaCO3- 6.948e-10 6.391e-10 -9.158 -9.194 -0.036
NaOH 4.299e-12 4.306e-12 -11.367 -11.366 0.001
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -61.151 -61.151 0.001
S(6) 1.600e-04
SO4-2 1.354e-04 9.754e-05 -3.868 -4.011 -0.142
CaSO4 1.393e-05 1.395e-05 -4.856 -4.855 0.001
MgSO4 1.063e-05 1.064e-05 -4.974 -4.973 0.001
KSO4- 1.037e-08 9.538e-09 -7.984 -8.021 -0.036
NaSO4- 8.826e-09 8.119e-09 -8.054 -8.090 -0.036
FeSO4 6.861e-09 6.871e-09 -8.164 -8.163 0.001
HSO4- 2.136e-10 1.965e-10 -9.670 -9.707 -0.036
CaHSO4+ 2.136e-12 1.965e-12 -11.670 -11.707 -0.036
FeHSO4+ 1.361e-15 1.252e-15 -14.866 -14.903 -0.036
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 0.00
H2O 5.551e+01 9.999e-01 1.744 -0.000 0.000 18.02
C(4) 4.300e-03
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 (0)
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 (0)
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 (0)
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 (0)
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 (0)
NaCO3- 6.948e-10 6.391e-10 -9.158 -9.194 -0.036 (0)
Ca 1.200e-03
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 (0)
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 (0)
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 (0)
Cl 2.000e-05
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 (0)
Fe(2) 1.000e-06
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 (0)
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 (0)
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 (0)
FeHSO4+ 1.361e-15 1.252e-15 -14.866 -14.903 -0.036 (0)
H(0) 1.316e-18
H2 6.579e-19 6.588e-19 -18.182 -18.181 0.001 (0)
K 2.000e-05
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 (0)
KOH 2.256e-12 2.260e-12 -11.647 -11.646 0.001 (0)
Mg 1.010e-03
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 (0)
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 (0)
MgOH+ 2.335e-08 2.148e-08 -7.632 -7.668 -0.036 (0)
Na 2.000e-05
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 (0)
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 (0)
NaOH 4.299e-12 4.306e-12 -11.367 -11.366 0.001 (0)
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -61.151 -61.151 0.001 (0)
S(6) 1.600e-04
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 (0)
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 (0)
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 (0)
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 (0)
FeHSO4+ 1.361e-15 1.252e-15 -14.866 -14.903 -0.036 (0)
------------------------------Saturation indices-------------------------------
@ -262,80 +262,80 @@ Initial solution 2. Mysse
----------------------------Distribution of species----------------------------
Log Log Log
Species Molality Activity Molality Activity Gamma
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 5.726e-07 4.419e-07 -6.242 -6.355 -0.112
H+ 2.963e-07 2.455e-07 -6.528 -6.610 -0.082
H2O 5.551e+01 9.985e-01 1.744 -0.001 0.000
C(4) 6.870e-03
HCO3- 4.711e-03 3.746e-03 -2.327 -2.426 -0.100
CO2 1.784e-03 1.814e-03 -2.749 -2.741 0.007
CaHCO3+ 2.347e-04 1.867e-04 -3.629 -3.729 -0.100
MgHCO3+ 6.578e-05 5.169e-05 -4.182 -4.287 -0.105
NaHCO3 5.046e-05 5.131e-05 -4.297 -4.290 0.007
CaCO3 1.560e-05 1.586e-05 -4.807 -4.800 0.007
NaCO3- 3.512e-06 2.760e-06 -5.454 -5.559 -0.105
CO3-2 2.780e-06 1.112e-06 -5.556 -5.954 -0.398
MgCO3 1.642e-06 1.670e-06 -5.784 -5.777 0.007
FeHCO3+ 1.177e-08 9.248e-09 -7.929 -8.034 -0.105
FeCO3 6.474e-10 6.583e-10 -9.189 -9.182 0.007
Ca 1.128e-02
Ca+2 7.217e-03 2.899e-03 -2.142 -2.538 -0.396
CaSO4 3.813e-03 3.877e-03 -2.419 -2.411 0.007
CaHCO3+ 2.347e-04 1.867e-04 -3.629 -3.729 -0.100
CaCO3 1.560e-05 1.586e-05 -4.807 -4.800 0.007
CaHSO4+ 1.322e-08 1.039e-08 -7.879 -7.983 -0.105
CaOH+ 2.491e-09 1.957e-09 -8.604 -8.708 -0.105
Cl 1.785e-02
Cl- 1.785e-02 1.381e-02 -1.748 -1.860 -0.111
FeCl+ 5.988e-10 4.706e-10 -9.223 -9.327 -0.105
Fe(2) 4.000e-07
Fe(HS)2 2.830e-07 2.878e-07 -6.548 -6.541 0.007
Fe+2 5.978e-08 2.468e-08 -7.223 -7.608 -0.384
FeSO4 3.911e-08 3.977e-08 -7.408 -7.400 0.007
FeHCO3+ 1.177e-08 9.248e-09 -7.929 -8.034 -0.105
Fe(HS)3- 4.561e-09 3.585e-09 -8.341 -8.446 -0.105
FeCO3 6.474e-10 6.583e-10 -9.189 -9.182 0.007
FeCl+ 5.988e-10 4.706e-10 -9.223 -9.327 -0.105
FeOH+ 5.014e-10 3.940e-10 -9.300 -9.404 -0.105
FeHSO4+ 1.125e-13 8.843e-14 -12.949 -13.053 -0.105
H(0) 1.190e-09
H2 5.948e-10 6.048e-10 -9.226 -9.218 0.007
K 2.540e-03
K+ 2.394e-03 1.852e-03 -2.621 -2.732 -0.111
KSO4- 1.459e-04 1.146e-04 -3.836 -3.941 -0.105
KOH 2.569e-11 2.613e-11 -10.590 -10.583 0.007
Mg 4.540e-03
MgSO4 2.360e-03 2.399e-03 -2.627 -2.620 0.007
Mg+2 2.113e-03 8.783e-04 -2.675 -3.056 -0.381
MgHCO3+ 6.578e-05 5.169e-05 -4.182 -4.287 -0.105
MgCO3 1.642e-06 1.670e-06 -5.784 -5.777 0.007
MgOH+ 3.463e-07 2.721e-07 -6.461 -6.565 -0.105
Na 3.189e-02
Na+ 3.090e-02 2.435e-02 -1.510 -1.613 -0.103
NaSO4- 9.408e-04 7.393e-04 -3.027 -3.131 -0.105
NaHCO3 5.046e-05 5.131e-05 -4.297 -4.290 0.007
NaCO3- 3.512e-06 2.760e-06 -5.454 -5.559 -0.105
NaOH 6.437e-10 6.545e-10 -9.191 -9.184 0.007
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -63.075 -63.067 0.007
S(-2) 2.600e-04
HS- 1.482e-04 1.144e-04 -3.829 -3.942 -0.112
H2S 1.112e-04 1.131e-04 -3.954 -3.947 0.007
Fe(HS)2 2.830e-07 2.878e-07 -6.548 -6.541 0.007
Fe(HS)3- 4.561e-09 3.585e-09 -8.341 -8.446 -0.105
S-2 1.449e-09 5.662e-10 -8.839 -9.247 -0.408
S(6) 1.986e-02
SO4-2 1.260e-02 4.892e-03 -1.900 -2.311 -0.411
CaSO4 3.813e-03 3.877e-03 -2.419 -2.411 0.007
MgSO4 2.360e-03 2.399e-03 -2.627 -2.620 0.007
NaSO4- 9.408e-04 7.393e-04 -3.027 -3.131 -0.105
KSO4- 1.459e-04 1.146e-04 -3.836 -3.941 -0.105
HSO4- 3.792e-07 2.980e-07 -6.421 -6.526 -0.105
FeSO4 3.911e-08 3.977e-08 -7.408 -7.400 0.007
CaHSO4+ 1.322e-08 1.039e-08 -7.879 -7.983 -0.105
FeHSO4+ 1.125e-13 8.843e-14 -12.949 -13.053 -0.105
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 0.00
H2O 5.551e+01 9.985e-01 1.744 -0.001 0.000 18.35
C(4) 6.870e-03
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 (0)
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 (0)
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 (0)
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 -5.76
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 (0)
FeCO3 6.474e-10 6.583e-10 -9.189 -9.182 0.007 (0)
Ca 1.128e-02
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 (0)
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 (0)
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 (0)
Cl 1.785e-02
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 (0)
Fe(2) 4.000e-07
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 (0)
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 (0)
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 (0)
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 (0)
FeHSO4+ 1.125e-13 8.843e-14 -12.949 -13.053 -0.105 (0)
H(0) 1.190e-09
H2 5.948e-10 6.048e-10 -9.226 -9.218 0.007 (0)
K 2.540e-03
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 (0)
KOH 2.569e-11 2.613e-11 -10.590 -10.583 0.007 (0)
Mg 4.540e-03
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 -22.99
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 (0)
MgOH+ 3.463e-07 2.721e-07 -6.461 -6.565 -0.105 (0)
Na 3.189e-02
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 (0)
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 (0)
NaOH 6.437e-10 6.545e-10 -9.191 -9.184 0.007 (0)
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -63.075 -63.067 0.007 (0)
S(-2) 2.600e-04
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 (0)
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 (0)
S-2 1.449e-09 5.662e-10 -8.839 -9.247 -0.408 (0)
S(6) 1.986e-02
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 (0)
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 (0)
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 (0)
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 (0)
FeHSO4+ 1.125e-13 8.843e-14 -12.949 -13.053 -0.105 (0)
------------------------------Saturation indices-------------------------------

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

36780
ex20b.out
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File diff suppressed because it is too large Load Diff

154
ex21_radial.out
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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----------------------------
Log Log Log
Species Molality Activity Molality Activity Gamma
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 1.038e-07 1.001e-07 -6.984 -7.000 -0.016
H+ 1.034e-07 1.000e-07 -6.985 -7.000 -0.015
H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000
Cl 1.000e-03
Cl- 1.000e-03 9.649e-04 -3.000 -3.016 -0.016
H(0) 1.416e-25
H2 7.078e-26 7.079e-26 -25.150 -25.150 0.000
Na 1.000e-03
Na+ 1.000e-03 9.652e-04 -3.000 -3.015 -0.015
NaOH 6.375e-11 6.377e-11 -10.196 -10.195 0.000
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -42.080 -42.080 0.000
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 0.00
H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07
Cl 1.000e-03
Cl- 1.000e-03 9.649e-04 -3.000 -3.016 -0.016 17.82
H(0) 1.416e-25
H2 7.078e-26 7.079e-26 -25.150 -25.150 0.000 (0)
Na 1.000e-03
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 (0)
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -42.080 -42.080 0.000 (0)
------------------------------Saturation indices-------------------------------
@ -453,70 +453,70 @@ WARNING: USER_PUNCH: Headings count doesn't match number of calls to PUNCH.
----------------------------Distribution of species----------------------------
Log Log Log
Species Molality Activity Molality Activity Gamma
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 5.138e-07 3.386e-07 -6.289 -6.470 -0.181
H+ 3.237e-08 2.512e-08 -7.490 -7.600 -0.110
H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000
C(4) 4.788e-04
HCO3- 3.789e-04 2.694e-04 -3.421 -3.570 -0.148
CaHCO3+ 3.068e-05 2.182e-05 -4.513 -4.661 -0.148
NaHCO3 2.379e-05 2.588e-05 -4.624 -4.587 0.037
MgHCO3+ 1.977e-05 1.447e-05 -4.704 -4.840 -0.136
CO2 1.450e-05 1.577e-05 -4.839 -4.802 0.037
CaCO3 4.698e-06 5.110e-06 -5.328 -5.292 0.037
MgCO3 1.900e-06 2.067e-06 -5.721 -5.685 0.037
NaCO3- 1.895e-06 1.387e-06 -5.722 -5.858 -0.136
CO3-2 1.889e-06 4.825e-07 -5.724 -6.316 -0.593
SrHCO3+ 6.950e-07 4.941e-07 -6.158 -6.306 -0.148
SrCO3 3.428e-08 3.729e-08 -7.465 -7.428 0.037
Ca 2.580e-02
Ca+2 2.357e-02 6.553e-03 -1.628 -2.184 -0.556
CaSO4 2.192e-03 2.384e-03 -2.659 -2.623 0.037
CaHCO3+ 3.068e-05 2.182e-05 -4.513 -4.661 -0.148
CaCO3 4.698e-06 5.110e-06 -5.328 -5.292 0.037
CaOH+ 5.856e-08 4.286e-08 -7.232 -7.368 -0.136
CaHSO4+ 4.678e-10 3.423e-10 -9.330 -9.466 -0.136
Cl 3.000e-01
Cl- 3.000e-01 2.002e-01 -0.523 -0.699 -0.176
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -44.617 -44.580 0.037
Hto 1.140e-06
Hto 1.140e-06 1.140e-06 -5.943 -5.943 0.000
K 1.610e-03
K+ 1.592e-03 1.062e-03 -2.798 -2.974 -0.176
KSO4- 1.830e-05 1.339e-05 -4.738 -4.873 -0.136
KOH 1.334e-10 1.452e-10 -9.875 -9.838 0.037
Mg 1.690e-02
Mg+2 1.512e-02 4.629e-03 -1.821 -2.335 -0.514
MgSO4 1.760e-03 1.914e-03 -2.754 -2.718 0.037
MgHCO3+ 1.977e-05 1.447e-05 -4.704 -4.840 -0.136
MgCO3 1.900e-06 2.067e-06 -5.721 -5.685 0.037
MgOH+ 7.546e-07 5.522e-07 -6.122 -6.258 -0.136
Na 2.400e-01
Na+ 2.378e-01 1.708e-01 -0.624 -0.767 -0.144
NaSO4- 2.146e-03 1.571e-03 -2.668 -2.804 -0.136
NaHCO3 2.379e-05 2.588e-05 -4.624 -4.587 0.037
NaCO3- 1.895e-06 1.387e-06 -5.722 -5.858 -0.136
NaOH 4.089e-08 4.448e-08 -7.388 -7.352 0.037
O(0) 2.437e-04
O2 1.219e-04 1.325e-04 -3.914 -3.878 0.037
S(6) 1.410e-02
SO4-2 7.942e-03 1.858e-03 -2.100 -2.731 -0.631
CaSO4 2.192e-03 2.384e-03 -2.659 -2.623 0.037
NaSO4- 2.146e-03 1.571e-03 -2.668 -2.804 -0.136
MgSO4 1.760e-03 1.914e-03 -2.754 -2.718 0.037
SrSO4 4.177e-05 4.543e-05 -4.379 -4.343 0.037
KSO4- 1.830e-05 1.339e-05 -4.738 -4.873 -0.136
HSO4- 5.938e-09 4.346e-09 -8.226 -8.362 -0.136
CaHSO4+ 4.678e-10 3.423e-10 -9.330 -9.466 -0.136
Sr 5.050e-04
Sr+2 4.625e-04 1.284e-04 -3.335 -3.891 -0.557
SrSO4 4.177e-05 4.543e-05 -4.379 -4.343 0.037
SrHCO3+ 6.950e-07 4.941e-07 -6.158 -6.306 -0.148
SrCO3 3.428e-08 3.729e-08 -7.465 -7.428 0.037
SrOH+ 3.701e-10 2.595e-10 -9.432 -9.586 -0.154
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 0.00
H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.06
C(4) 4.788e-04
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 (0)
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 (0)
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 (0)
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 (0)
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 (0)
SrCO3 3.428e-08 3.729e-08 -7.465 -7.428 0.037 (0)
Ca 2.580e-02
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 (0)
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 (0)
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 (0)
Cl 3.000e-01
Cl- 3.000e-01 2.002e-01 -0.523 -0.699 -0.176 17.78
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -44.617 -44.580 0.037 (0)
Hto 1.140e-06
Hto 1.140e-06 1.140e-06 -5.943 -5.943 0.000 (0)
K 1.610e-03
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 (0)
KOH 1.334e-10 1.452e-10 -9.875 -9.838 0.037 (0)
Mg 1.690e-02
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 (0)
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 (0)
MgOH+ 7.546e-07 5.522e-07 -6.122 -6.258 -0.136 (0)
Na 2.400e-01
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 (0)
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 (0)
NaOH 4.089e-08 4.448e-08 -7.388 -7.352 0.037 (0)
O(0) 2.437e-04
O2 1.219e-04 1.325e-04 -3.914 -3.878 0.037 (0)
S(6) 1.410e-02
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 (0)
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 (0)
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 (0)
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 (0)
Sr 5.050e-04
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 (0)
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 (0)
SrOH+ 3.701e-10 2.595e-10 -9.432 -9.586 -0.154 (0)
------------------------------Saturation indices-------------------------------

546
ex3.out
View File

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

394
ex4.out
View File

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

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@ -1,28 +1,28 @@
sim state reaction si_CO2(g) si_CH4(g) si_N2(g) si_NH3(g) pressure total mol volume g_CO2(g) g_CH4(g) g_N2(g) g_NH3(g)
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
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 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 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 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 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 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 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 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 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 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 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 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-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 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 1.3482e-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 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 3.1427e-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 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 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 1.5360e-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 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 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 1.5320e-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 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 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 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 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 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 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 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 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 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 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 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 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 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-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 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 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 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 2.0213e-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 2.2648e-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 2.7517e-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 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 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 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 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 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----------------------------
Log Log Log
Species Molality Activity Molality Activity Gamma
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 1.113e-07 1.001e-07 -6.953 -7.000 -0.046
H+ 1.096e-07 1.000e-07 -6.960 -7.000 -0.040
H2O 5.551e+01 9.997e-01 1.744 -0.000 0.000
Cl 1.020e-02
Cl- 1.020e-02 9.171e-03 -1.991 -2.038 -0.046
Fe_diCl+ 9.149e-07 8.242e-07 -6.039 -6.084 -0.045
Fe_di 1.000e-04
Fe_di+2 9.886e-05 6.510e-05 -4.005 -4.186 -0.181
Fe_diCl+ 9.149e-07 8.242e-07 -6.039 -6.084 -0.045
Fe_diOH+ 2.285e-07 2.058e-07 -6.641 -6.687 -0.045
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -44.410 -44.409 0.001
Na 1.000e-02
Na+ 1.000e-02 9.019e-03 -2.000 -2.045 -0.045
NaOH 5.943e-10 5.957e-10 -9.226 -9.225 0.001
O(0) 5.466e-04
O2 2.733e-04 2.739e-04 -3.563 -3.562 0.001
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 0.00
H2O 5.551e+01 9.997e-01 1.744 -0.000 0.000 18.07
Cl 1.020e-02
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 (0)
Fe_di 1.000e-04
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 (0)
Fe_diOH+ 2.285e-07 2.058e-07 -6.641 -6.687 -0.045 (0)
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -44.410 -44.409 0.001 (0)
Na 1.000e-02
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 (0)
O(0) 5.466e-04
O2 2.733e-04 2.739e-04 -3.563 -3.562 0.001 (0)
------------------------------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----------------------------
Log Log Log
Species Molality Activity Molality Activity Gamma
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm3/mol
H+ 9.821e-07 8.962e-07 -6.008 -6.048 -0.040
OH- 1.242e-08 1.117e-08 -7.906 -7.952 -0.046
H2O 5.551e+01 9.997e-01 1.744 -0.000 0.000
Cl 1.020e-02
Cl- 1.020e-02 9.171e-03 -1.991 -2.038 -0.046
Fe_diCl+ 9.071e-07 8.172e-07 -6.042 -6.088 -0.045
Fe_triCl+2 1.330e-13 8.757e-14 -12.876 -13.058 -0.181
Fe_triCl2+ 3.982e-15 3.587e-15 -14.400 -14.445 -0.045
Fe_triCl3 3.282e-18 3.290e-18 -17.484 -17.483 0.001
Fe_di 9.894e-05
Fe_di+2 9.801e-05 6.455e-05 -4.009 -4.190 -0.181
Fe_diCl+ 9.071e-07 8.172e-07 -6.042 -6.088 -0.045
Fe_diOH+ 2.527e-08 2.277e-08 -7.597 -7.643 -0.045
Fe_tri 1.058e-06
Fe_tri(OH)2+ 9.336e-07 8.410e-07 -6.030 -6.075 -0.045
Fe_tri(OH)3 1.206e-07 1.209e-07 -6.919 -6.918 0.001
Fe_triOH+2 3.457e-09 2.277e-09 -8.461 -8.643 -0.181
Fe_tri(OH)4- 1.365e-10 1.229e-10 -9.865 -9.910 -0.045
Fe_tri+3 8.092e-13 3.162e-13 -12.092 -12.500 -0.408
Fe_triCl+2 1.330e-13 8.757e-14 -12.876 -13.058 -0.181
Fe_triCl2+ 3.982e-15 3.587e-15 -14.400 -14.445 -0.045
Fe_tri2(OH)2+4 7.418e-16 1.396e-16 -15.130 -15.855 -0.726
Fe_triCl3 3.282e-18 3.290e-18 -17.484 -17.483 0.001
Fe_tri3(OH)4+5 3.336e-19 2.452e-20 -18.477 -19.610 -1.134
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -44.410 -44.409 0.001
Na 1.000e-02
Na+ 1.000e-02 9.019e-03 -2.000 -2.045 -0.045
NaOH 6.631e-11 6.647e-11 -10.178 -10.177 0.001
O(0) 5.466e-04
O2 2.733e-04 2.739e-04 -3.563 -3.562 0.001
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 (0)
H2O 5.551e+01 9.997e-01 1.744 -0.000 0.000 18.07
Cl 1.020e-02
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 (0)
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 (0)
Fe_triCl3 3.282e-18 3.290e-18 -17.484 -17.483 0.001 (0)
Fe_di 9.894e-05
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 (0)
Fe_diOH+ 2.527e-08 2.277e-08 -7.597 -7.643 -0.045 (0)
Fe_tri 1.058e-06
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 (0)
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 (0)
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 (0)
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 (0)
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 (0)
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -44.410 -44.409 0.001 (0)
Na 1.000e-02
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 (0)
O(0) 5.466e-04
O2 2.733e-04 2.739e-04 -3.563 -3.562 0.001 (0)
------------------------------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----------------------------
Log Log Log
Species Molality Activity Molality Activity Gamma
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm3/mol
H+ 1.699e-06 1.550e-06 -5.770 -5.810 -0.040
OH- 7.183e-09 6.457e-09 -8.144 -8.190 -0.046
H2O 5.551e+01 9.997e-01 1.744 -0.000 0.000
Cl 1.020e-02
Cl- 1.020e-02 9.171e-03 -1.991 -2.038 -0.046
Fe_diCl+ 9.005e-07 8.112e-07 -6.046 -6.091 -0.045
Fe_triCl+2 7.069e-13 4.656e-13 -12.151 -12.332 -0.181
Fe_triCl2+ 2.117e-14 1.907e-14 -13.674 -13.720 -0.045
Fe_triCl3 1.745e-17 1.749e-17 -16.758 -16.757 0.001
Fe_di 9.821e-05
Fe_di+2 9.729e-05 6.408e-05 -4.012 -4.193 -0.181
Fe_diCl+ 9.005e-07 8.112e-07 -6.046 -6.091 -0.045
Fe_diOH+ 1.451e-08 1.307e-08 -7.838 -7.884 -0.045
Fe_tri 1.794e-06
Fe_tri(OH)2+ 1.660e-06 1.495e-06 -5.780 -5.825 -0.045
Fe_tri(OH)3 1.239e-07 1.242e-07 -6.907 -6.906 0.001
Fe_triOH+2 1.063e-08 7.000e-09 -7.974 -8.155 -0.181
Fe_tri(OH)4- 8.110e-11 7.306e-11 -10.091 -10.136 -0.045
Fe_tri+3 4.302e-12 1.681e-12 -11.366 -11.774 -0.408
Fe_triCl+2 7.069e-13 4.656e-13 -12.151 -12.332 -0.181
Fe_triCl2+ 2.117e-14 1.907e-14 -13.674 -13.720 -0.045
Fe_tri2(OH)2+4 7.010e-15 1.319e-15 -14.154 -14.880 -0.726
Fe_triCl3 1.745e-17 1.749e-17 -16.758 -16.757 0.001
Fe_tri3(OH)4+5 5.604e-18 4.120e-19 -17.252 -18.385 -1.134
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -44.410 -44.409 0.001
Na 1.000e-02
Na+ 1.000e-02 9.019e-03 -2.000 -2.045 -0.045
NaOH 3.834e-11 3.843e-11 -10.416 -10.415 0.001
O(0) 5.466e-04
O2 2.733e-04 2.739e-04 -3.563 -3.562 0.001
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 (0)
H2O 5.551e+01 9.997e-01 1.744 -0.000 0.000 18.07
Cl 1.020e-02
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 (0)
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 (0)
Fe_triCl3 1.745e-17 1.749e-17 -16.758 -16.757 0.001 (0)
Fe_di 9.821e-05
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 (0)
Fe_diOH+ 1.451e-08 1.307e-08 -7.838 -7.884 -0.045 (0)
Fe_tri 1.794e-06
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 (0)
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 (0)
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 (0)
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 (0)
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 (0)
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -44.410 -44.409 0.001 (0)
Na 1.000e-02
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 (0)
O(0) 5.466e-04
O2 2.733e-04 2.739e-04 -3.563 -3.562 0.001 (0)
------------------------------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----------------------------
Log Log Log
Species Molality Activity Molality Activity Gamma
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm3/mol
H+ 3.274e-06 2.988e-06 -5.485 -5.525 -0.040
OH- 3.726e-09 3.349e-09 -8.429 -8.475 -0.046
H2O 5.551e+01 9.997e-01 1.744 -0.000 0.000
Cl 1.020e-02
Cl- 1.020e-02 9.171e-03 -1.991 -2.038 -0.046
Fe_diCl+ 8.857e-07 7.979e-07 -6.053 -6.098 -0.045
Fe_triCl+2 5.132e-12 3.380e-12 -11.290 -11.471 -0.181
Fe_triCl2+ 1.537e-13 1.385e-13 -12.813 -12.859 -0.045
Fe_triCl3 1.267e-16 1.270e-16 -15.897 -15.896 0.001
Fe_di 9.659e-05
Fe_di+2 9.570e-05 6.303e-05 -4.019 -4.200 -0.181
Fe_diCl+ 8.857e-07 7.979e-07 -6.053 -6.098 -0.045
Fe_diOH+ 7.403e-09 6.669e-09 -8.131 -8.176 -0.045
Fe_tri 3.408e-06
Fe_tri(OH)2+ 3.242e-06 2.921e-06 -5.489 -5.534 -0.045
Fe_tri(OH)3 1.256e-07 1.259e-07 -6.901 -6.900 0.001
Fe_triOH+2 4.003e-08 2.636e-08 -7.398 -7.579 -0.181
Fe_tri(OH)4- 4.265e-11 3.842e-11 -10.370 -10.415 -0.045
Fe_tri+3 3.123e-11 1.220e-11 -10.505 -10.913 -0.408
Fe_triCl+2 5.132e-12 3.380e-12 -11.290 -11.471 -0.181
Fe_triCl2+ 1.537e-13 1.385e-13 -12.813 -12.859 -0.045
Fe_tri2(OH)2+4 9.943e-14 1.871e-14 -13.002 -13.728 -0.725
Fe_tri3(OH)4+5 1.553e-16 1.142e-17 -15.809 -16.942 -1.134
Fe_triCl3 1.267e-16 1.270e-16 -15.897 -15.896 0.001
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -44.410 -44.409 0.001
Na 1.000e-02
Na+ 1.000e-02 9.019e-03 -2.000 -2.045 -0.045
NaOH 1.989e-11 1.994e-11 -10.701 -10.700 0.001
O(0) 5.466e-04
O2 2.733e-04 2.739e-04 -3.563 -3.562 0.001
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 (0)
H2O 5.551e+01 9.997e-01 1.744 -0.000 0.000 18.07
Cl 1.020e-02
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 (0)
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 (0)
Fe_triCl3 1.267e-16 1.270e-16 -15.897 -15.896 0.001 (0)
Fe_di 9.659e-05
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 (0)
Fe_diOH+ 7.403e-09 6.669e-09 -8.131 -8.176 -0.045 (0)
Fe_tri 3.408e-06
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 (0)
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 (0)
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 (0)
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 (0)
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 (0)
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -44.410 -44.409 0.001 (0)
Na 1.000e-02
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 (0)
O(0) 5.466e-04
O2 2.733e-04 2.739e-04 -3.563 -3.562 0.001 (0)
------------------------------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----------------------------
Log Log Log
Species Molality Activity Molality Activity Gamma
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm3/mol
H+ 5.163e-06 4.711e-06 -5.287 -5.327 -0.040
OH- 2.363e-09 2.124e-09 -8.627 -8.673 -0.046
H2O 5.551e+01 9.997e-01 1.744 -0.000 0.000
Cl 1.020e-02
Cl- 1.020e-02 9.171e-03 -1.991 -2.038 -0.046
Fe_diCl+ 8.679e-07 7.819e-07 -6.062 -6.107 -0.045
Fe_triCl+2 2.021e-11 1.331e-11 -10.694 -10.876 -0.181
Fe_triCl2+ 6.053e-13 5.453e-13 -12.218 -12.263 -0.045
Fe_triCl3 4.990e-16 5.001e-16 -15.302 -15.301 0.001
Fe_di 9.464e-05
Fe_di+2 9.377e-05 6.176e-05 -4.028 -4.209 -0.181
Fe_diCl+ 8.679e-07 7.819e-07 -6.062 -6.107 -0.045
Fe_diOH+ 4.600e-09 4.144e-09 -8.337 -8.383 -0.045
Fe_tri 5.361e-06
Fe_tri(OH)2+ 5.135e-06 4.626e-06 -5.289 -5.335 -0.045
Fe_tri(OH)3 1.261e-07 1.264e-07 -6.899 -6.898 0.001
Fe_triOH+2 9.996e-08 6.584e-08 -7.000 -7.182 -0.181
Fe_tri+3 1.230e-10 4.806e-11 -9.910 -10.318 -0.408
Fe_tri(OH)4- 2.716e-11 2.447e-11 -10.566 -10.611 -0.045
Fe_triCl+2 2.021e-11 1.331e-11 -10.694 -10.876 -0.181
Fe_tri2(OH)2+4 6.200e-13 1.167e-13 -12.208 -12.933 -0.725
Fe_triCl2+ 6.053e-13 5.453e-13 -12.218 -12.263 -0.045
Fe_tri3(OH)4+5 1.533e-15 1.128e-16 -14.814 -15.948 -1.133
Fe_triCl3 4.990e-16 5.001e-16 -15.302 -15.301 0.001
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -44.410 -44.409 0.001
Na 1.000e-02
Na+ 1.000e-02 9.019e-03 -2.000 -2.045 -0.045
NaOH 1.261e-11 1.264e-11 -10.899 -10.898 0.001
O(0) 5.466e-04
O2 2.733e-04 2.739e-04 -3.563 -3.562 0.001
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 (0)
H2O 5.551e+01 9.997e-01 1.744 -0.000 0.000 18.07
Cl 1.020e-02
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 (0)
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 (0)
Fe_triCl3 4.990e-16 5.001e-16 -15.302 -15.301 0.001 (0)
Fe_di 9.464e-05
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 (0)
Fe_diOH+ 4.600e-09 4.144e-09 -8.337 -8.383 -0.045 (0)
Fe_tri 5.361e-06
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 (0)
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 (0)
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 (0)
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 (0)
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 (0)
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -44.410 -44.409 0.001 (0)
Na 1.000e-02
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 (0)
O(0) 5.466e-04
O2 2.733e-04 2.739e-04 -3.563 -3.562 0.001 (0)
------------------------------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----------------------------
Log Log Log
Species Molality Activity Molality Activity Gamma
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm3/mol
H+ 6.954e-06 6.346e-06 -5.158 -5.197 -0.040
OH- 1.754e-09 1.577e-09 -8.756 -8.802 -0.046
H2O 5.551e+01 9.997e-01 1.744 -0.000 0.000
Cl 1.020e-02
Cl- 1.020e-02 9.171e-03 -1.991 -2.038 -0.046
Fe_diCl+ 8.507e-07 7.664e-07 -6.070 -6.116 -0.045
Fe_triCl+2 4.947e-11 3.258e-11 -10.306 -10.487 -0.181
Fe_triCl2+ 1.482e-12 1.335e-12 -11.829 -11.875 -0.045
Fe_triCl3 1.221e-15 1.224e-15 -14.913 -14.912 0.001
Fe_di 9.276e-05
Fe_di+2 9.191e-05 6.054e-05 -4.037 -4.218 -0.181
Fe_diCl+ 8.507e-07 7.664e-07 -6.070 -6.116 -0.045
Fe_diOH+ 3.347e-09 3.016e-09 -8.475 -8.521 -0.045
Fe_tri 7.236e-06
Fe_tri(OH)2+ 6.928e-06 6.241e-06 -5.159 -5.205 -0.045
Fe_triOH+2 1.817e-07 1.196e-07 -6.741 -6.922 -0.181
Fe_tri(OH)3 1.263e-07 1.266e-07 -6.898 -6.897 0.001
Fe_tri+3 3.010e-10 1.176e-10 -9.521 -9.929 -0.408
Fe_triCl+2 4.947e-11 3.258e-11 -10.306 -10.487 -0.181
Fe_tri(OH)4- 2.020e-11 1.819e-11 -10.695 -10.740 -0.045
Fe_tri2(OH)2+4 2.047e-12 3.853e-13 -11.689 -12.414 -0.725
Fe_triCl2+ 1.482e-12 1.335e-12 -11.829 -11.875 -0.045
Fe_tri3(OH)4+5 6.830e-15 5.024e-16 -14.166 -15.299 -1.133
Fe_triCl3 1.221e-15 1.224e-15 -14.913 -14.912 0.001
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -44.410 -44.409 0.001
Na 1.000e-02
Na+ 1.000e-02 9.019e-03 -2.000 -2.045 -0.045
NaOH 9.365e-12 9.387e-12 -11.029 -11.027 0.001
O(0) 5.466e-04
O2 2.733e-04 2.739e-04 -3.563 -3.562 0.001
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 (0)
H2O 5.551e+01 9.997e-01 1.744 -0.000 0.000 18.07
Cl 1.020e-02
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 (0)
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 (0)
Fe_triCl3 1.221e-15 1.224e-15 -14.913 -14.912 0.001 (0)
Fe_di 9.276e-05
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 (0)
Fe_diOH+ 3.347e-09 3.016e-09 -8.475 -8.521 -0.045 (0)
Fe_tri 7.236e-06
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 (0)
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 (0)
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 (0)
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 (0)
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 (0)
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -44.410 -44.409 0.001 (0)
Na 1.000e-02
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 (0)
O(0) 5.466e-04
O2 2.733e-04 2.739e-04 -3.563 -3.562 0.001 (0)
------------------------------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----------------------------
Log Log Log
Species Molality Activity Molality Activity Gamma
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm3/mol
H+ 9.220e-06 8.414e-06 -5.035 -5.075 -0.040
OH- 1.323e-09 1.189e-09 -8.878 -8.925 -0.046
H2O 5.551e+01 9.997e-01 1.744 -0.000 0.000
Cl 1.020e-02
Cl- 1.020e-02 9.172e-03 -1.991 -2.038 -0.046
Fe_diCl+ 8.287e-07 7.466e-07 -6.082 -6.127 -0.045
Fe_triCl+2 1.154e-10 7.603e-11 -9.938 -10.119 -0.181
Fe_triCl2+ 3.457e-12 3.115e-12 -11.461 -11.507 -0.045
Fe_triCl3 2.850e-15 2.857e-15 -14.545 -14.544 0.001
Fe_di 9.036e-05
Fe_di+2 8.953e-05 5.897e-05 -4.048 -4.229 -0.181
Fe_diCl+ 8.287e-07 7.466e-07 -6.082 -6.127 -0.045
Fe_diOH+ 2.459e-09 2.216e-09 -8.609 -8.655 -0.045
Fe_tri 9.642e-06
Fe_tri(OH)2+ 9.195e-06 8.284e-06 -5.036 -5.082 -0.045
Fe_triOH+2 3.197e-07 2.106e-07 -6.495 -6.677 -0.181
Fe_tri(OH)3 1.265e-07 1.268e-07 -6.898 -6.897 0.001
Fe_tri+3 7.023e-10 2.745e-10 -9.153 -9.561 -0.408
Fe_triCl+2 1.154e-10 7.603e-11 -9.938 -10.119 -0.181
Fe_tri(OH)4- 1.525e-11 1.374e-11 -10.817 -10.862 -0.045
Fe_tri2(OH)2+4 6.340e-12 1.193e-12 -11.198 -11.923 -0.725
Fe_triCl2+ 3.457e-12 3.115e-12 -11.461 -11.507 -0.045
Fe_tri3(OH)4+5 2.807e-14 2.065e-15 -13.552 -14.685 -1.133
Fe_triCl3 2.850e-15 2.857e-15 -14.545 -14.544 0.001
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -44.410 -44.409 0.001
Na 1.000e-02
Na+ 1.000e-02 9.020e-03 -2.000 -2.045 -0.045
NaOH 7.063e-12 7.080e-12 -11.151 -11.150 0.001
O(0) 5.466e-04
O2 2.733e-04 2.739e-04 -3.563 -3.562 0.001
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 (0)
H2O 5.551e+01 9.997e-01 1.744 -0.000 0.000 18.07
Cl 1.020e-02
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 (0)
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 (0)
Fe_triCl3 2.850e-15 2.857e-15 -14.545 -14.544 0.001 (0)
Fe_di 9.036e-05
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 (0)
Fe_diOH+ 2.459e-09 2.216e-09 -8.609 -8.655 -0.045 (0)
Fe_tri 9.642e-06
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 (0)
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 (0)
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 (0)
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 (0)
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 (0)
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -44.410 -44.409 0.001 (0)
Na 1.000e-02
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 (0)
O(0) 5.466e-04
O2 2.733e-04 2.739e-04 -3.563 -3.562 0.001 (0)
------------------------------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----------------------------
Log Log Log
Species Molality Activity Molality Activity Gamma
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm3/mol
H+ 1.150e-05 1.050e-05 -4.939 -4.979 -0.040
OH- 1.061e-09 9.534e-10 -8.974 -9.021 -0.046
H2O 5.551e+01 9.997e-01 1.744 -0.000 0.000
Cl 1.020e-02
Cl- 1.020e-02 9.172e-03 -1.991 -2.038 -0.046
Fe_diCl+ 8.062e-07 7.263e-07 -6.094 -6.139 -0.045
Fe_triCl+2 2.242e-10 1.477e-10 -9.649 -9.831 -0.181
Fe_triCl2+ 6.716e-12 6.050e-12 -11.173 -11.218 -0.045
Fe_triCl3 5.536e-15 5.549e-15 -14.257 -14.256 0.001
Fe_di 8.790e-05
Fe_di+2 8.709e-05 5.737e-05 -4.060 -4.241 -0.181
Fe_diCl+ 8.062e-07 7.263e-07 -6.094 -6.139 -0.045
Fe_diOH+ 1.918e-09 1.728e-09 -8.717 -8.763 -0.045
Fe_tri 1.210e-05
Fe_tri(OH)2+ 1.148e-05 1.034e-05 -4.940 -4.985 -0.045
Fe_triOH+2 4.978e-07 3.279e-07 -6.303 -6.484 -0.181
Fe_tri(OH)3 1.266e-07 1.269e-07 -6.898 -6.897 0.001
Fe_tri+3 1.364e-09 5.332e-10 -8.865 -9.273 -0.408
Fe_triCl+2 2.242e-10 1.477e-10 -9.649 -9.831 -0.181
Fe_tri2(OH)2+4 1.537e-11 2.894e-12 -10.813 -11.539 -0.725
Fe_tri(OH)4- 1.223e-11 1.102e-11 -10.912 -10.958 -0.045
Fe_triCl2+ 6.716e-12 6.050e-12 -11.173 -11.218 -0.045
Fe_tri3(OH)4+5 8.494e-14 6.251e-15 -13.071 -14.204 -1.133
Fe_triCl3 5.536e-15 5.549e-15 -14.257 -14.256 0.001
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -44.410 -44.409 0.001
Na 1.000e-02
Na+ 1.000e-02 9.020e-03 -2.000 -2.045 -0.045
NaOH 5.662e-12 5.676e-12 -11.247 -11.246 0.001
O(0) 5.466e-04
O2 2.733e-04 2.739e-04 -3.563 -3.562 0.001
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 (0)
H2O 5.551e+01 9.997e-01 1.744 -0.000 0.000 18.07
Cl 1.020e-02
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 (0)
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 (0)
Fe_triCl3 5.536e-15 5.549e-15 -14.257 -14.256 0.001 (0)
Fe_di 8.790e-05
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 (0)
Fe_diOH+ 1.918e-09 1.728e-09 -8.717 -8.763 -0.045 (0)
Fe_tri 1.210e-05
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 (0)
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 (0)
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 (0)
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 (0)
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 (0)
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -44.410 -44.409 0.001 (0)
Na 1.000e-02
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 (0)
O(0) 5.466e-04
O2 2.733e-04 2.739e-04 -3.563 -3.562 0.001 (0)
------------------------------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----------------------------
Log Log Log
Species Molality Activity Molality Activity Gamma
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm3/mol
H+ 1.431e-05 1.306e-05 -4.844 -4.884 -0.040
OH- 8.523e-10 7.662e-10 -9.069 -9.116 -0.046
H2O 5.551e+01 9.997e-01 1.744 -0.000 0.000
Cl 1.020e-02
Cl- 1.020e-02 9.172e-03 -1.991 -2.038 -0.046
Fe_diCl+ 7.779e-07 7.008e-07 -6.109 -6.154 -0.045
Fe_triCl+2 4.323e-10 2.848e-10 -9.364 -9.546 -0.181
Fe_triCl2+ 1.295e-11 1.167e-11 -10.888 -10.933 -0.045
Fe_triCl3 1.068e-14 1.070e-14 -13.972 -13.971 0.001
Fe_di 8.481e-05
Fe_di+2 8.403e-05 5.535e-05 -4.076 -4.257 -0.181
Fe_diCl+ 7.779e-07 7.008e-07 -6.109 -6.154 -0.045
Fe_diOH+ 1.487e-09 1.340e-09 -8.828 -8.873 -0.045
Fe_tri 1.519e-05
Fe_tri(OH)2+ 1.429e-05 1.288e-05 -4.845 -4.890 -0.045
Fe_triOH+2 7.712e-07 5.080e-07 -6.113 -6.294 -0.181
Fe_tri(OH)3 1.266e-07 1.269e-07 -6.897 -6.896 0.001
Fe_tri+3 2.630e-09 1.028e-09 -8.580 -8.988 -0.408
Fe_triCl+2 4.323e-10 2.848e-10 -9.364 -9.546 -0.181
Fe_tri2(OH)2+4 3.689e-11 6.947e-12 -10.433 -11.158 -0.725
Fe_triCl2+ 1.295e-11 1.167e-11 -10.888 -10.933 -0.045
Fe_tri(OH)4- 9.835e-12 8.861e-12 -11.007 -11.053 -0.045
Fe_tri3(OH)4+5 2.539e-13 1.869e-14 -12.595 -13.728 -1.133
Fe_triCl3 1.068e-14 1.070e-14 -13.972 -13.971 0.001
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -44.410 -44.409 0.001
Na 1.000e-02
Na+ 1.000e-02 9.020e-03 -2.000 -2.045 -0.045
NaOH 4.550e-12 4.561e-12 -11.342 -11.341 0.001
O(0) 5.466e-04
O2 2.733e-04 2.739e-04 -3.563 -3.562 0.001
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 (0)
H2O 5.551e+01 9.997e-01 1.744 -0.000 0.000 18.07
Cl 1.020e-02
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 (0)
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 (0)
Fe_triCl3 1.068e-14 1.070e-14 -13.972 -13.971 0.001 (0)
Fe_di 8.481e-05
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 (0)
Fe_diOH+ 1.487e-09 1.340e-09 -8.828 -8.873 -0.045 (0)
Fe_tri 1.519e-05
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 (0)
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 (0)
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 (0)
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 (0)
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 (0)
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -44.410 -44.409 0.001 (0)
Na 1.000e-02
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 (0)
O(0) 5.466e-04
O2 2.733e-04 2.739e-04 -3.563 -3.562 0.001 (0)
------------------------------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----------------------------
Log Log Log
Species Molality Activity Molality Activity Gamma
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm3/mol
H+ 1.624e-05 1.482e-05 -4.789 -4.829 -0.040
OH- 7.509e-10 6.751e-10 -9.124 -9.171 -0.046
H2O 5.551e+01 9.996e-01 1.744 -0.000 0.000
Cl 1.020e-02
Cl- 1.020e-02 9.172e-03 -1.991 -2.038 -0.046
Fe_diCl+ 7.581e-07 6.830e-07 -6.120 -6.166 -0.045
Fe_triCl+2 6.322e-10 4.164e-10 -9.199 -9.380 -0.181
Fe_triCl2+ 1.894e-11 1.706e-11 -10.723 -10.768 -0.045
Fe_triCl3 1.561e-14 1.565e-14 -13.807 -13.806 0.001
Fe_di 8.265e-05
Fe_di+2 8.189e-05 5.395e-05 -4.087 -4.268 -0.181
Fe_diCl+ 7.581e-07 6.830e-07 -6.120 -6.166 -0.045
Fe_diOH+ 1.277e-09 1.150e-09 -8.894 -8.939 -0.045
Fe_tri 1.735e-05
Fe_tri(OH)2+ 1.622e-05 1.462e-05 -4.790 -4.835 -0.045
Fe_triOH+2 9.937e-07 6.546e-07 -6.003 -6.184 -0.181
Fe_tri(OH)3 1.267e-07 1.270e-07 -6.897 -6.896 0.001
Fe_tri+3 3.845e-09 1.503e-09 -8.415 -8.823 -0.408
Fe_triCl+2 6.322e-10 4.164e-10 -9.199 -9.380 -0.181
Fe_tri2(OH)2+4 6.124e-11 1.153e-11 -10.213 -10.938 -0.725
Fe_triCl2+ 1.894e-11 1.706e-11 -10.723 -10.768 -0.045
Fe_tri(OH)4- 8.668e-12 7.809e-12 -11.062 -11.107 -0.045
Fe_tri3(OH)4+5 4.783e-13 3.522e-14 -12.320 -13.453 -1.133
Fe_triCl3 1.561e-14 1.565e-14 -13.807 -13.806 0.001
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -44.410 -44.409 0.001
Na 1.000e-02
Na+ 1.000e-02 9.020e-03 -2.000 -2.045 -0.045
NaOH 4.009e-12 4.019e-12 -11.397 -11.396 0.001
O(0) 5.466e-04
O2 2.733e-04 2.739e-04 -3.563 -3.562 0.001
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 (0)
H2O 5.551e+01 9.996e-01 1.744 -0.000 0.000 18.07
Cl 1.020e-02
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 (0)
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 (0)
Fe_triCl3 1.561e-14 1.565e-14 -13.807 -13.806 0.001 (0)
Fe_di 8.265e-05
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 (0)
Fe_diOH+ 1.277e-09 1.150e-09 -8.894 -8.939 -0.045 (0)
Fe_tri 1.735e-05
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 (0)
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 (0)
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 (0)
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 (0)
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 (0)
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -44.410 -44.409 0.001 (0)
Na 1.000e-02
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 (0)
O(0) 5.466e-04
O2 2.733e-04 2.739e-04 -3.563 -3.562 0.001 (0)
------------------------------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----------------------------
Log Log Log
Species Molality Activity Molality Activity Gamma
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm3/mol
H+ 1.776e-05 1.621e-05 -4.751 -4.790 -0.040
OH- 6.869e-10 6.175e-10 -9.163 -9.209 -0.046
H2O 5.551e+01 9.996e-01 1.744 -0.000 0.000
Cl 1.020e-02
Cl- 1.020e-02 9.172e-03 -1.991 -2.038 -0.046
Fe_diCl+ 7.425e-07 6.689e-07 -6.129 -6.175 -0.045
Fe_triCl+2 8.261e-10 5.442e-10 -9.083 -9.264 -0.181
Fe_triCl2+ 2.475e-11 2.230e-11 -10.606 -10.652 -0.045
Fe_triCl3 2.040e-14 2.045e-14 -13.690 -13.689 0.001
Fe_di 8.094e-05
Fe_di+2 8.020e-05 5.283e-05 -4.096 -4.277 -0.181
Fe_diCl+ 7.425e-07 6.689e-07 -6.129 -6.175 -0.045
Fe_diOH+ 1.144e-09 1.031e-09 -8.942 -8.987 -0.045
Fe_tri 1.906e-05
Fe_tri(OH)2+ 1.774e-05 1.598e-05 -4.751 -4.796 -0.045
Fe_triOH+2 1.188e-06 7.825e-07 -5.925 -6.107 -0.181
Fe_tri(OH)3 1.267e-07 1.270e-07 -6.897 -6.896 0.001
Fe_tri+3 5.025e-09 1.965e-09 -8.299 -8.707 -0.408
Fe_triCl+2 8.261e-10 5.442e-10 -9.083 -9.264 -0.181
Fe_tri2(OH)2+4 8.749e-11 1.648e-11 -10.058 -10.783 -0.725
Fe_triCl2+ 2.475e-11 2.230e-11 -10.606 -10.652 -0.045
Fe_tri(OH)4- 7.930e-12 7.145e-12 -11.101 -11.146 -0.045
Fe_tri3(OH)4+5 7.472e-13 5.503e-14 -12.127 -13.259 -1.133
Fe_triCl3 2.040e-14 2.045e-14 -13.690 -13.689 0.001
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -44.410 -44.409 0.001
Na 1.000e-02
Na+ 1.000e-02 9.020e-03 -2.000 -2.045 -0.045
NaOH 3.667e-12 3.676e-12 -11.436 -11.435 0.001
O(0) 5.466e-04
O2 2.733e-04 2.739e-04 -3.563 -3.562 0.001
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 (0)
H2O 5.551e+01 9.996e-01 1.744 -0.000 0.000 18.07
Cl 1.020e-02
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 (0)
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 (0)
Fe_triCl3 2.040e-14 2.045e-14 -13.690 -13.689 0.001 (0)
Fe_di 8.094e-05
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 (0)
Fe_diOH+ 1.144e-09 1.031e-09 -8.942 -8.987 -0.045 (0)
Fe_tri 1.906e-05
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 (0)
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 (0)
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 (0)
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 (0)
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 (0)
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -44.410 -44.409 0.001 (0)
Na 1.000e-02
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 (0)
O(0) 5.466e-04
O2 2.733e-04 2.739e-04 -3.563 -3.562 0.001 (0)
------------------------------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----------------------------
Log Log Log
Species Molality Activity Molality Activity Gamma
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm3/mol
H+ 1.902e-05 1.736e-05 -4.721 -4.760 -0.040
OH- 6.413e-10 5.765e-10 -9.193 -9.239 -0.046
H2O 5.551e+01 9.996e-01 1.744 -0.000 0.000
Cl 1.020e-02
Cl- 1.020e-02 9.172e-03 -1.991 -2.038 -0.046
Fe_diCl+ 7.293e-07 6.570e-07 -6.137 -6.182 -0.045
Fe_triCl+2 1.015e-09 6.689e-10 -8.993 -9.175 -0.181
Fe_triCl2+ 3.042e-11 2.740e-11 -10.517 -10.562 -0.045
Fe_triCl3 2.508e-14 2.513e-14 -13.601 -13.600 0.001
Fe_di 7.950e-05
Fe_di+2 7.877e-05 5.189e-05 -4.104 -4.285 -0.181
Fe_diCl+ 7.293e-07 6.570e-07 -6.137 -6.182 -0.045
Fe_diOH+ 1.049e-09 9.450e-10 -8.979 -9.025 -0.045
Fe_tri 2.050e-05
Fe_tri(OH)2+ 1.900e-05 1.712e-05 -4.721 -4.766 -0.045
Fe_triOH+2 1.363e-06 8.979e-07 -5.866 -6.047 -0.181
Fe_tri(OH)3 1.267e-07 1.270e-07 -6.897 -6.896 0.001
Fe_tri+3 6.176e-09 2.415e-09 -8.209 -8.617 -0.408
Fe_triCl+2 1.015e-09 6.689e-10 -8.993 -9.175 -0.181
Fe_tri2(OH)2+4 1.152e-10 2.170e-11 -9.939 -10.664 -0.725
Fe_triCl2+ 3.042e-11 2.740e-11 -10.517 -10.562 -0.045
Fe_tri(OH)4- 7.405e-12 6.671e-12 -11.130 -11.176 -0.045
Fe_tri3(OH)4+5 1.054e-12 7.762e-14 -11.977 -13.110 -1.133
Fe_triCl3 2.508e-14 2.513e-14 -13.601 -13.600 0.001
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -44.410 -44.409 0.001
Na 1.000e-02
Na+ 1.000e-02 9.020e-03 -2.000 -2.045 -0.045
NaOH 3.424e-12 3.432e-12 -11.465 -11.464 0.001
O(0) 5.466e-04
O2 2.733e-04 2.739e-04 -3.563 -3.562 0.001
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 (0)
H2O 5.551e+01 9.996e-01 1.744 -0.000 0.000 18.07
Cl 1.020e-02
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 (0)
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 (0)
Fe_triCl3 2.508e-14 2.513e-14 -13.601 -13.600 0.001 (0)
Fe_di 7.950e-05
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 (0)
Fe_diOH+ 1.049e-09 9.450e-10 -8.979 -9.025 -0.045 (0)
Fe_tri 2.050e-05
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 (0)
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 (0)
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 (0)
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 (0)
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 (0)
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -44.410 -44.409 0.001 (0)
Na 1.000e-02
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 (0)
O(0) 5.466e-04
O2 2.733e-04 2.739e-04 -3.563 -3.562 0.001 (0)
------------------------------Saturation indices-------------------------------