max/iphreeqc
1
0
Fork 0
mirror of https://git.gfz-potsdam.de/naaice/iphreeqc.git synced 2025-12-16 08:38:23 +01:00
Code Issues Packages Projects Releases Wiki Activity

Has bug with volume in selected output file.

Browse Source 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@6031 1feff8c3-07ed-0310-ac33-dd36852eb9cd
This commit is contained in:
David L Parkhurst 2012-01-11 16:15:18 +00:00
parent ed0de50524
commit aa5d869671
24 changed files with 25289 additions and 25289 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

226
ex1.out
View File

@ -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
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
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
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
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
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
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
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
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+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
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
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
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
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
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
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
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
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+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
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
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
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
Mn(NO3)2 1.375e-20 1.607e-20 -19.862 -19.794 0.067
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
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
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
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
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
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
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
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
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(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
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
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
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-------------------------------

68
ex10.out
View File

@ -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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
O2 0.000e+00 0.000e+00 -64.054 -64.051 0.003 (0)
------------------------------Saturation indices-------------------------------

76
ex11.out
View File

@ -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
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
CaOH+ 8.617e-10 8.221e-10 -9.065 -9.085 -0.020
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
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
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
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+ 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
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
KOH 6.654e-12 6.656e-12 -11.177 -11.177 0.000
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
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
NaOH 6.342e-11 6.344e-11 -10.198 -10.198 0.000
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
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+ 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
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
KOH 6.654e-12 6.656e-12 -11.177 -11.177 0.000
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
NH3 0.000e+00 0.000e+00 -65.120 -65.120 0.000
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
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
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
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
NaOH 6.342e-11 6.344e-11 -10.198 -10.198 0.000
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
O2 2.676e-04 2.677e-04 -3.572 -3.572 0.000 (0)
------------------------------Saturation indices-------------------------------

70
ex13a.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
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
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
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
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
NaOH 6.327e-11 6.329e-11 -10.199 -10.199 0.000
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
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
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
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
KOH 3.345e-11 3.346e-11 -10.476 -10.476 0.000
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
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
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
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
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
KOH 3.345e-11 3.346e-11 -10.476 -10.476 0.000
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
NH3 0.000e+00 0.000e+00 -65.158 -65.158 0.000
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
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
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
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
O2 2.556e-04 2.556e-04 -3.592 -3.592 0.000 (0)
------------------------------Saturation indices-------------------------------

70
ex13ac.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
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
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
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
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
NaOH 6.327e-11 6.329e-11 -10.199 -10.199 0.000
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
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
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
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
KOH 3.345e-11 3.346e-11 -10.476 -10.476 0.000
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
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
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
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
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
KOH 3.345e-11 3.346e-11 -10.476 -10.476 0.000
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
NH3 0.000e+00 0.000e+00 -65.158 -65.158 0.000
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
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
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
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
O2 2.556e-04 2.556e-04 -3.592 -3.592 0.000 (0)
------------------------------Saturation indices-------------------------------

70
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
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
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
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
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
NaOH 6.327e-11 6.329e-11 -10.199 -10.199 0.000
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
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
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
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
KOH 3.345e-11 3.346e-11 -10.476 -10.476 0.000
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
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
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
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
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
KOH 3.345e-11 3.346e-11 -10.476 -10.476 0.000
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
NH3 0.000e+00 0.000e+00 -65.158 -65.158 0.000
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
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
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
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
O2 2.556e-04 2.556e-04 -3.592 -3.592 0.000 (0)
------------------------------Saturation indices-------------------------------

70
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
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
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
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
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
NaOH 6.327e-11 6.329e-11 -10.199 -10.199 0.000
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
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
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
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
KOH 3.345e-11 3.346e-11 -10.476 -10.476 0.000
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
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
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
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
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
KOH 3.345e-11 3.346e-11 -10.476 -10.476 0.000
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
NH3 0.000e+00 0.000e+00 -65.158 -65.158 0.000
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
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
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
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
O2 2.556e-04 2.556e-04 -3.592 -3.592 0.000 (0)
------------------------------Saturation indices-------------------------------

548
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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-------------------------------

184
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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-------------------------------

74
ex17.out
View File

@ -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
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
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
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
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
CaCO3 4.680e-06 4.680e-06 -5.330 -5.330 0.000
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
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
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
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
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
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
HSO4- 2.952e-09 2.017e-09 -8.530 -8.695 -0.165
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
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
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
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
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
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
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
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
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
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
HSO4- 2.669e-06 2.153e-06 -5.574 -5.667 -0.093
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-------------------------------

960
ex17b.out
View File

File diff suppressed because it is too large Load Diff

234
ex18.out
View File

@ -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
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
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
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
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
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
FeCl+ 1.461e-11 1.344e-11 -10.835 -10.872 -0.036
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
FeCl+ 5.988e-10 4.706e-10 -9.223 -9.327 -0.105
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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-------------------------------

1850
ex2.out
View File

File diff suppressed because it is too large Load Diff

230
ex20a.out
View File

@ -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
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
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
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
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
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
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
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
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
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
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
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
CH3D 1.901e-27 1.902e-27 -26.721 -26.721 0.000
CH4 3.051e-24 3.053e-24 -23.515 -23.515 0.000 (0)
CH3D 1.901e-27 1.902e-27 -26.721 -26.721 0.000 (0)
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
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
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
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
D2 2.536e-22 2.537e-22 -21.596 -21.596 0.000
HD 3.256e-18 3.258e-18 -17.487 -17.487 0.000 (0)
D2 2.536e-22 2.537e-22 -21.596 -21.596 0.000 (0)
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
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
HD 3.256e-18 3.258e-18 -17.487 -17.487 0.000
H2 1.045e-14 1.046e-14 -13.981 -13.981 0.000 (0)
HD 3.256e-18 3.258e-18 -17.487 -17.487 0.000 (0)
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
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
O[18O] 0.000e+00 0.000e+00 -66.818 -66.818 0.000
O2 0.000e+00 0.000e+00 -64.421 -64.421 0.000 (0)
O[18O] 0.000e+00 0.000e+00 -66.818 -66.818 0.000 (0)
[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]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
[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
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
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
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
[18O]2 0.000e+00 0.000e+00 -69.817 -69.817 0.000
O[18O] 0.000e+00 0.000e+00 -66.818 -66.818 0.000 (0)
[18O]2 0.000e+00 0.000e+00 -69.817 -69.817 0.000 (0)
------------------------------Saturation indices-------------------------------

32364
ex20b.out
View File

File diff suppressed because it is too large Load Diff

124
ex21_radial.out
View File

@ -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
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
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
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
NaOH 6.375e-11 6.377e-11 -10.196 -10.195 0.000
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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-------------------------------

440
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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-------------------------------

312
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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-------------------------------

820
ex5.out
View File

@ -89,16 +89,16 @@ 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
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
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
O2 0.000e+00 0.000e+00 -42.080 -42.080 0.000 (0)
------------------------------Saturation indices-------------------------------
@ -175,69 +175,69 @@ Pyrite 0.00 -18.48 -18.48 1.000e+01 1.000e+01 -3.154e-08
----------------------------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- 1.987e-06 1.903e-06 -5.702 -5.720 -0.019
H+ 5.476e-09 5.260e-09 -8.262 -8.279 -0.018
H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000
OH- 1.987e-06 1.903e-06 -5.702 -5.720 -0.019 (0)
H+ 5.476e-09 5.260e-09 -8.262 -8.279 -0.018 0.00
H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07
C(-4) 5.403e-08
CH4 5.403e-08 5.405e-08 -7.267 -7.267 0.000
CH4 5.403e-08 5.405e-08 -7.267 -7.267 0.000 (0)
C(4) 9.803e-04
HCO3- 9.494e-04 9.104e-04 -3.023 -3.041 -0.018
CO2 1.076e-05 1.077e-05 -4.968 -4.968 0.000
CO3-2 9.603e-06 8.117e-06 -5.018 -5.091 -0.073
CaCO3 5.563e-06 5.565e-06 -5.255 -5.255 0.000
CaHCO3+ 4.943e-06 4.740e-06 -5.306 -5.324 -0.018
FeCO3 2.600e-09 2.601e-09 -8.585 -8.585 0.000
FeHCO3+ 1.269e-09 1.216e-09 -8.896 -8.915 -0.019
HCO3- 9.494e-04 9.104e-04 -3.023 -3.041 -0.018 24.29
CO2 1.076e-05 1.077e-05 -4.968 -4.968 0.000 (0)
CO3-2 9.603e-06 8.117e-06 -5.018 -5.091 -0.073 -3.78
CaCO3 5.563e-06 5.565e-06 -5.255 -5.255 0.000 (0)
CaHCO3+ 4.943e-06 4.740e-06 -5.306 -5.324 -0.018 (0)
FeCO3 2.600e-09 2.601e-09 -8.585 -8.585 0.000 (0)
FeHCO3+ 1.269e-09 1.216e-09 -8.896 -8.915 -0.019 (0)
Ca 4.934e-04
Ca+2 4.829e-04 4.081e-04 -3.316 -3.389 -0.073
CaCO3 5.563e-06 5.565e-06 -5.255 -5.255 0.000
CaHCO3+ 4.943e-06 4.740e-06 -5.306 -5.324 -0.018
CaOH+ 1.344e-08 1.288e-08 -7.872 -7.890 -0.019
CaSO4 3.896e-09 3.897e-09 -8.409 -8.409 0.000
CaHSO4+ 1.253e-16 1.201e-16 -15.902 -15.920 -0.019
Ca+2 4.829e-04 4.081e-04 -3.316 -3.389 -0.073 -17.83
CaCO3 5.563e-06 5.565e-06 -5.255 -5.255 0.000 (0)
CaHCO3+ 4.943e-06 4.740e-06 -5.306 -5.324 -0.018 (0)
CaOH+ 1.344e-08 1.288e-08 -7.872 -7.890 -0.019 (0)
CaSO4 3.896e-09 3.897e-09 -8.409 -8.409 0.000 (0)
CaHSO4+ 1.253e-16 1.201e-16 -15.902 -15.920 -0.019 (0)
Fe(2) 2.049e-08
Fe+2 1.578e-08 1.336e-08 -7.802 -7.874 -0.072
FeCO3 2.600e-09 2.601e-09 -8.585 -8.585 0.000
FeHCO3+ 1.269e-09 1.216e-09 -8.896 -8.915 -0.019
FeOH+ 8.381e-10 8.031e-10 -9.077 -9.095 -0.019
FeSO4 1.137e-13 1.137e-13 -12.944 -12.944 0.000
Fe(HS)2 6.287e-17 6.289e-17 -16.202 -16.201 0.000
FeHSO4+ 4.102e-21 3.931e-21 -20.387 -20.406 -0.019
Fe(HS)3- 1.643e-23 1.574e-23 -22.784 -22.803 -0.019
Fe+2 1.578e-08 1.336e-08 -7.802 -7.874 -0.072 (0)
FeCO3 2.600e-09 2.601e-09 -8.585 -8.585 0.000 (0)
FeHCO3+ 1.269e-09 1.216e-09 -8.896 -8.915 -0.019 (0)
FeOH+ 8.381e-10 8.031e-10 -9.077 -9.095 -0.019 (0)
FeSO4 1.137e-13 1.137e-13 -12.944 -12.944 0.000 (0)
Fe(HS)2 6.287e-17 6.289e-17 -16.202 -16.201 0.000 (0)
FeHSO4+ 4.102e-21 3.931e-21 -20.387 -20.406 -0.019 (0)
Fe(HS)3- 1.643e-23 1.574e-23 -22.784 -22.803 -0.019 (0)
Fe(3) 3.369e-14
Fe(OH)3 2.753e-14 2.754e-14 -13.560 -13.560 0.000
Fe(OH)4- 4.984e-15 4.776e-15 -14.302 -14.321 -0.019
Fe(OH)2+ 1.174e-15 1.124e-15 -14.931 -14.949 -0.019
FeOH+2 2.119e-20 1.786e-20 -19.674 -19.748 -0.074
Fe+3 2.091e-26 1.455e-26 -25.680 -25.837 -0.158
FeSO4+ 7.970e-30 7.637e-30 -29.099 -29.117 -0.019
Fe(SO4)2- 8.346e-36 7.997e-36 -35.079 -35.097 -0.019
FeHSO4+2 1.276e-37 1.076e-37 -36.894 -36.968 -0.074
Fe2(OH)2+4 1.700e-38 8.587e-39 -37.769 -38.066 -0.297
Fe3(OH)4+5 0.000e+00 0.000e+00 -50.232 -50.695 -0.464
Fe(OH)3 2.753e-14 2.754e-14 -13.560 -13.560 0.000 (0)
Fe(OH)4- 4.984e-15 4.776e-15 -14.302 -14.321 -0.019 (0)
Fe(OH)2+ 1.174e-15 1.124e-15 -14.931 -14.949 -0.019 (0)
FeOH+2 2.119e-20 1.786e-20 -19.674 -19.748 -0.074 (0)
Fe+3 2.091e-26 1.455e-26 -25.680 -25.837 -0.158 (0)
FeSO4+ 7.970e-30 7.637e-30 -29.099 -29.117 -0.019 (0)
Fe(SO4)2- 8.346e-36 7.997e-36 -35.079 -35.097 -0.019 (0)
FeHSO4+2 1.276e-37 1.076e-37 -36.894 -36.968 -0.074 (0)
Fe2(OH)2+4 1.700e-38 8.587e-39 -37.769 -38.066 -0.297 (0)
Fe3(OH)4+5 0.000e+00 0.000e+00 -50.232 -50.695 -0.464 (0)
H(0) 3.009e-10
H2 1.505e-10 1.505e-10 -9.823 -9.822 0.000
H2 1.505e-10 1.505e-10 -9.823 -9.822 0.000 (0)
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -72.735 -72.735 0.000
O2 0.000e+00 0.000e+00 -72.735 -72.735 0.000 (0)
S(-2) 2.505e-09
HS- 2.399e-09 2.298e-09 -8.620 -8.639 -0.019
H2S 1.057e-10 1.057e-10 -9.976 -9.976 0.000
S-2 6.249e-14 5.278e-14 -13.204 -13.278 -0.073
Fe(HS)2 6.287e-17 6.289e-17 -16.202 -16.201 0.000
Fe(HS)3- 1.643e-23 1.574e-23 -22.784 -22.803 -0.019
HS- 2.399e-09 2.298e-09 -8.620 -8.639 -0.019 (0)
H2S 1.057e-10 1.057e-10 -9.976 -9.976 0.000 (0)
S-2 6.249e-14 5.278e-14 -13.204 -13.278 -0.073 (0)
Fe(HS)2 6.287e-17 6.289e-17 -16.202 -16.201 0.000 (0)
Fe(HS)3- 1.643e-23 1.574e-23 -22.784 -22.803 -0.019 (0)
S(6) 6.057e-08
SO4-2 5.668e-08 4.786e-08 -7.247 -7.320 -0.073
CaSO4 3.896e-09 3.897e-09 -8.409 -8.409 0.000
FeSO4 1.137e-13 1.137e-13 -12.944 -12.944 0.000
HSO4- 2.554e-14 2.448e-14 -13.593 -13.611 -0.019
CaHSO4+ 1.253e-16 1.201e-16 -15.902 -15.920 -0.019
FeHSO4+ 4.102e-21 3.931e-21 -20.387 -20.406 -0.019
FeSO4+ 7.970e-30 7.637e-30 -29.099 -29.117 -0.019
Fe(SO4)2- 8.346e-36 7.997e-36 -35.079 -35.097 -0.019
FeHSO4+2 1.276e-37 1.076e-37 -36.894 -36.968 -0.074
SO4-2 5.668e-08 4.786e-08 -7.247 -7.320 -0.073 13.98
CaSO4 3.896e-09 3.897e-09 -8.409 -8.409 0.000 (0)
FeSO4 1.137e-13 1.137e-13 -12.944 -12.944 0.000 (0)
HSO4- 2.554e-14 2.448e-14 -13.593 -13.611 -0.019 (0)
CaHSO4+ 1.253e-16 1.201e-16 -15.902 -15.920 -0.019 (0)
FeHSO4+ 4.102e-21 3.931e-21 -20.387 -20.406 -0.019 (0)
FeSO4+ 7.970e-30 7.637e-30 -29.099 -29.117 -0.019 (0)
Fe(SO4)2- 8.346e-36 7.997e-36 -35.079 -35.097 -0.019 (0)
FeHSO4+2 1.276e-37 1.076e-37 -36.894 -36.968 -0.074 (0)
------------------------------Saturation indices-------------------------------
@ -328,88 +328,88 @@ Pyrite -0.00 -18.48 -18.48 1.000e+01 1.000e+01 -2.667e-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
OH- 1.585e-06 1.484e-06 -5.800 -5.829 -0.029
H+ 7.160e-09 6.745e-09 -8.145 -8.171 -0.026
H2O 5.551e+01 9.999e-01 1.744 -0.000 0.000
OH- 1.585e-06 1.484e-06 -5.800 -5.829 -0.029 (0)
H+ 7.160e-09 6.745e-09 -8.145 -8.171 -0.026 0.00
H2O 5.551e+01 9.999e-01 1.744 -0.000 0.000 18.07
C(-4) 2.240e-12
CH4 2.240e-12 2.242e-12 -11.650 -11.649 0.000
CH4 2.240e-12 2.242e-12 -11.650 -11.649 0.000 (0)
C(4) 7.859e-04
HCO3- 7.565e-04 7.099e-04 -3.121 -3.149 -0.028
CO2 1.076e-05 1.077e-05 -4.968 -4.968 0.000
CaHCO3+ 6.477e-06 6.078e-06 -5.189 -5.216 -0.028
CO3-2 6.364e-06 4.936e-06 -5.196 -5.307 -0.110
CaCO3 5.560e-06 5.565e-06 -5.255 -5.255 0.000
NaHCO3 1.865e-07 1.867e-07 -6.729 -6.729 0.000
NaCO3- 4.587e-08 4.298e-08 -7.338 -7.367 -0.028
FeCO3 7.363e-10 7.369e-10 -9.133 -9.133 0.000
FeHCO3+ 4.715e-10 4.418e-10 -9.327 -9.355 -0.028
HCO3- 7.565e-04 7.099e-04 -3.121 -3.149 -0.028 24.29
CO2 1.076e-05 1.077e-05 -4.968 -4.968 0.000 (0)
CaHCO3+ 6.477e-06 6.078e-06 -5.189 -5.216 -0.028 (0)
CO3-2 6.364e-06 4.936e-06 -5.196 -5.307 -0.110 -3.78
CaCO3 5.560e-06 5.565e-06 -5.255 -5.255 0.000 (0)
NaHCO3 1.865e-07 1.867e-07 -6.729 -6.729 0.000 (0)
NaCO3- 4.587e-08 4.298e-08 -7.338 -7.367 -0.028 (0)
FeCO3 7.363e-10 7.369e-10 -9.133 -9.133 0.000 (0)
FeHCO3+ 4.715e-10 4.418e-10 -9.327 -9.355 -0.028 (0)
Ca 9.277e-04
Ca+2 8.657e-04 6.711e-04 -3.063 -3.173 -0.111
CaSO4 4.996e-05 5.000e-05 -4.301 -4.301 0.000
CaHCO3+ 6.477e-06 6.078e-06 -5.189 -5.216 -0.028
CaCO3 5.560e-06 5.565e-06 -5.255 -5.255 0.000
CaOH+ 1.762e-08 1.651e-08 -7.754 -7.782 -0.028
CaHSO4+ 2.108e-12 1.976e-12 -11.676 -11.704 -0.028
Ca+2 8.657e-04 6.711e-04 -3.063 -3.173 -0.111 -17.83
CaSO4 4.996e-05 5.000e-05 -4.301 -4.301 0.000 (0)
CaHCO3+ 6.477e-06 6.078e-06 -5.189 -5.216 -0.028 (0)
CaCO3 5.560e-06 5.565e-06 -5.255 -5.255 0.000 (0)
CaOH+ 1.762e-08 1.651e-08 -7.754 -7.782 -0.028 (0)
CaHSO4+ 2.108e-12 1.976e-12 -11.676 -11.704 -0.028 (0)
Cl 5.000e-04
Cl- 5.000e-04 4.682e-04 -3.301 -3.330 -0.029
FeCl+ 4.293e-12 4.023e-12 -11.367 -11.396 -0.028
FeCl+2 5.629e-28 4.339e-28 -27.250 -27.363 -0.113
FeCl2+ 9.686e-31 9.076e-31 -30.014 -30.042 -0.028
FeCl3 4.246e-35 4.250e-35 -34.372 -34.372 0.000
Cl- 5.000e-04 4.682e-04 -3.301 -3.330 -0.029 17.82
FeCl+ 4.293e-12 4.023e-12 -11.367 -11.396 -0.028 (0)
FeCl+2 5.629e-28 4.339e-28 -27.250 -27.363 -0.113 (0)
FeCl2+ 9.686e-31 9.076e-31 -30.014 -30.042 -0.028 (0)
FeCl3 4.246e-35 4.250e-35 -34.372 -34.372 0.000 (0)
Fe(2) 9.939e-09
Fe+2 8.002e-09 6.223e-09 -8.097 -8.206 -0.109
FeCO3 7.363e-10 7.369e-10 -9.133 -9.133 0.000
FeHCO3+ 4.715e-10 4.418e-10 -9.327 -9.355 -0.028
FeSO4 4.129e-10 4.132e-10 -9.384 -9.384 0.000
FeOH+ 3.114e-10 2.918e-10 -9.507 -9.535 -0.028
FeCl+ 4.293e-12 4.023e-12 -11.367 -11.396 -0.028
FeHSO4+ 1.955e-17 1.832e-17 -16.709 -16.737 -0.028
Fe(HS)2 5.043e-18 5.047e-18 -17.297 -17.297 0.000
Fe(HS)3- 5.596e-25 5.243e-25 -24.252 -24.280 -0.028
Fe+2 8.002e-09 6.223e-09 -8.097 -8.206 -0.109 (0)
FeCO3 7.363e-10 7.369e-10 -9.133 -9.133 0.000 (0)
FeHCO3+ 4.715e-10 4.418e-10 -9.327 -9.355 -0.028 (0)
FeSO4 4.129e-10 4.132e-10 -9.384 -9.384 0.000 (0)
FeOH+ 3.114e-10 2.918e-10 -9.507 -9.535 -0.028 (0)
FeCl+ 4.293e-12 4.023e-12 -11.367 -11.396 -0.028 (0)
FeHSO4+ 1.955e-17 1.832e-17 -16.709 -16.737 -0.028 (0)
Fe(HS)2 5.043e-18 5.047e-18 -17.297 -17.297 0.000 (0)
Fe(HS)3- 5.596e-25 5.243e-25 -24.252 -24.280 -0.028 (0)
Fe(3) 3.303e-14
Fe(OH)3 2.752e-14 2.754e-14 -13.560 -13.560 0.000
Fe(OH)4- 3.974e-15 3.724e-15 -14.401 -14.429 -0.028
Fe(OH)2+ 1.539e-15 1.442e-15 -14.813 -14.841 -0.028
FeOH+2 3.810e-20 2.937e-20 -19.419 -19.532 -0.113
FeSO4+ 1.341e-25 1.256e-25 -24.873 -24.901 -0.028
Fe+3 5.252e-26 3.069e-26 -25.280 -25.513 -0.233
Fe(SO4)2- 1.095e-27 1.026e-27 -26.960 -26.989 -0.028
FeCl+2 5.629e-28 4.339e-28 -27.250 -27.363 -0.113
FeCl2+ 9.686e-31 9.076e-31 -30.014 -30.042 -0.028
FeHSO4+2 2.943e-33 2.269e-33 -32.531 -32.644 -0.113
FeCl3 4.246e-35 4.250e-35 -34.372 -34.372 0.000
Fe2(OH)2+4 6.575e-38 2.322e-38 -37.182 -37.634 -0.452
Fe3(OH)4+5 0.000e+00 0.000e+00 -49.449 -50.155 -0.706
Fe(OH)3 2.752e-14 2.754e-14 -13.560 -13.560 0.000 (0)
Fe(OH)4- 3.974e-15 3.724e-15 -14.401 -14.429 -0.028 (0)
Fe(OH)2+ 1.539e-15 1.442e-15 -14.813 -14.841 -0.028 (0)
FeOH+2 3.810e-20 2.937e-20 -19.419 -19.532 -0.113 (0)
FeSO4+ 1.341e-25 1.256e-25 -24.873 -24.901 -0.028 (0)
Fe+3 5.252e-26 3.069e-26 -25.280 -25.513 -0.233 (0)
Fe(SO4)2- 1.095e-27 1.026e-27 -26.960 -26.989 -0.028 (0)
FeCl+2 5.629e-28 4.339e-28 -27.250 -27.363 -0.113 (0)
FeCl2+ 9.686e-31 9.076e-31 -30.014 -30.042 -0.028 (0)
FeHSO4+2 2.943e-33 2.269e-33 -32.531 -32.644 -0.113 (0)
FeCl3 4.246e-35 4.250e-35 -34.372 -34.372 0.000 (0)
Fe2(OH)2+4 6.575e-38 2.322e-38 -37.182 -37.634 -0.452 (0)
Fe3(OH)4+5 0.000e+00 0.000e+00 -49.449 -50.155 -0.706 (0)
H(0) 2.414e-11
H2 1.207e-11 1.208e-11 -10.918 -10.918 0.000
H2 1.207e-11 1.208e-11 -10.918 -10.918 0.000 (0)
Na 5.000e-04
Na+ 4.988e-04 4.677e-04 -3.302 -3.330 -0.028
NaSO4- 9.340e-07 8.752e-07 -6.030 -6.058 -0.028
NaHCO3 1.865e-07 1.867e-07 -6.729 -6.729 0.000
NaCO3- 4.587e-08 4.298e-08 -7.338 -7.367 -0.028
NaOH 4.577e-10 4.581e-10 -9.339 -9.339 0.000
Na+ 4.988e-04 4.677e-04 -3.302 -3.330 -0.028 -1.21
NaSO4- 9.340e-07 8.752e-07 -6.030 -6.058 -0.028 (0)
NaHCO3 1.865e-07 1.867e-07 -6.729 -6.729 0.000 (0)
NaCO3- 4.587e-08 4.298e-08 -7.338 -7.367 -0.028 (0)
NaOH 4.577e-10 4.581e-10 -9.339 -9.339 0.000 (0)
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -70.545 -70.544 0.000
O2 0.000e+00 0.000e+00 -70.545 -70.544 0.000 (0)
S(-2) 1.075e-09
HS- 1.019e-09 9.540e-10 -8.992 -9.020 -0.029
H2S 5.621e-11 5.626e-11 -10.250 -10.250 0.000
S-2 2.207e-14 1.708e-14 -13.656 -13.767 -0.111
Fe(HS)2 5.043e-18 5.047e-18 -17.297 -17.297 0.000
Fe(HS)3- 5.596e-25 5.243e-25 -24.252 -24.280 -0.028
HS- 1.019e-09 9.540e-10 -8.992 -9.020 -0.029 (0)
H2S 5.621e-11 5.626e-11 -10.250 -10.250 0.000 (0)
S-2 2.207e-14 1.708e-14 -13.656 -13.767 -0.111 (0)
Fe(HS)2 5.043e-18 5.047e-18 -17.297 -17.297 0.000 (0)
Fe(HS)3- 5.596e-25 5.243e-25 -24.252 -24.280 -0.028 (0)
S(6) 5.333e-04
SO4-2 4.824e-04 3.734e-04 -3.317 -3.428 -0.111
CaSO4 4.996e-05 5.000e-05 -4.301 -4.301 0.000
NaSO4- 9.340e-07 8.752e-07 -6.030 -6.058 -0.028
FeSO4 4.129e-10 4.132e-10 -9.384 -9.384 0.000
HSO4- 2.613e-10 2.449e-10 -9.583 -9.611 -0.028
CaHSO4+ 2.108e-12 1.976e-12 -11.676 -11.704 -0.028
FeHSO4+ 1.955e-17 1.832e-17 -16.709 -16.737 -0.028
FeSO4+ 1.341e-25 1.256e-25 -24.873 -24.901 -0.028
Fe(SO4)2- 1.095e-27 1.026e-27 -26.960 -26.989 -0.028
FeHSO4+2 2.943e-33 2.269e-33 -32.531 -32.644 -0.113
SO4-2 4.824e-04 3.734e-04 -3.317 -3.428 -0.111 13.98
CaSO4 4.996e-05 5.000e-05 -4.301 -4.301 0.000 (0)
NaSO4- 9.340e-07 8.752e-07 -6.030 -6.058 -0.028 (0)
FeSO4 4.129e-10 4.132e-10 -9.384 -9.384 0.000 (0)
HSO4- 2.613e-10 2.449e-10 -9.583 -9.611 -0.028 (0)
CaHSO4+ 2.108e-12 1.976e-12 -11.676 -11.704 -0.028 (0)
FeHSO4+ 1.955e-17 1.832e-17 -16.709 -16.737 -0.028 (0)
FeSO4+ 1.341e-25 1.256e-25 -24.873 -24.901 -0.028 (0)
Fe(SO4)2- 1.095e-27 1.026e-27 -26.960 -26.989 -0.028 (0)
FeHSO4+2 2.943e-33 2.269e-33 -32.531 -32.644 -0.113 (0)
------------------------------Saturation indices-------------------------------
@ -501,88 +501,88 @@ Pyrite 0.00 -18.48 -18.48 1.000e+01 9.999e+00 -1.333e-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- 1.077e-06 9.604e-07 -5.968 -6.018 -0.050
H+ 1.149e-08 1.042e-08 -7.940 -7.982 -0.042
H2O 5.551e+01 9.998e-01 1.744 -0.000 0.000
OH- 1.077e-06 9.604e-07 -5.968 -6.018 -0.050 (0)
H+ 1.149e-08 1.042e-08 -7.940 -7.982 -0.042 0.00
H2O 5.551e+01 9.998e-01 1.744 -0.000 0.000 18.07
C(-4) 2.129e-13
CH4 2.129e-13 2.135e-13 -12.672 -12.671 0.001
CH4 2.129e-13 2.135e-13 -12.672 -12.671 0.001 (0)
C(4) 5.424e-04
HCO3- 5.118e-04 4.594e-04 -3.291 -3.338 -0.047
CO2 1.074e-05 1.077e-05 -4.969 -4.968 0.001
CaHCO3+ 1.046e-05 9.392e-06 -4.980 -5.027 -0.047
CaCO3 5.549e-06 5.565e-06 -5.256 -5.255 0.001
CO3-2 3.184e-06 2.067e-06 -5.497 -5.685 -0.188
NaHCO3 5.724e-07 5.740e-07 -6.242 -6.241 0.001
NaCO3- 9.566e-08 8.553e-08 -7.019 -7.068 -0.049
FeHCO3+ 5.691e-10 5.088e-10 -9.245 -9.293 -0.049
FeCO3 5.477e-10 5.493e-10 -9.261 -9.260 0.001
HCO3- 5.118e-04 4.594e-04 -3.291 -3.338 -0.047 24.29
CO2 1.074e-05 1.077e-05 -4.969 -4.968 0.001 (0)
CaHCO3+ 1.046e-05 9.392e-06 -4.980 -5.027 -0.047 (0)
CaCO3 5.549e-06 5.565e-06 -5.256 -5.255 0.001 (0)
CO3-2 3.184e-06 2.067e-06 -5.497 -5.685 -0.188 -3.78
NaHCO3 5.724e-07 5.740e-07 -6.242 -6.241 0.001 (0)
NaCO3- 9.566e-08 8.553e-08 -7.019 -7.068 -0.049 (0)
FeHCO3+ 5.691e-10 5.088e-10 -9.245 -9.293 -0.049 (0)
FeCO3 5.477e-10 5.493e-10 -9.261 -9.260 0.001 (0)
Ca 2.937e-03
Ca+2 2.469e-03 1.602e-03 -2.607 -2.795 -0.188
CaSO4 4.520e-04 4.532e-04 -3.345 -3.344 0.001
CaHCO3+ 1.046e-05 9.392e-06 -4.980 -5.027 -0.047
CaCO3 5.549e-06 5.565e-06 -5.256 -5.255 0.001
CaOH+ 2.854e-08 2.551e-08 -7.545 -7.593 -0.049
CaHSO4+ 3.095e-11 2.767e-11 -10.509 -10.558 -0.049
Ca+2 2.469e-03 1.602e-03 -2.607 -2.795 -0.188 -17.83
CaSO4 4.520e-04 4.532e-04 -3.345 -3.344 0.001 (0)
CaHCO3+ 1.046e-05 9.392e-06 -4.980 -5.027 -0.047 (0)
CaCO3 5.549e-06 5.565e-06 -5.256 -5.255 0.001 (0)
CaOH+ 2.854e-08 2.551e-08 -7.545 -7.593 -0.049 (0)
CaHSO4+ 3.095e-11 2.767e-11 -10.509 -10.558 -0.049 (0)
Cl 2.500e-03
Cl- 2.500e-03 2.230e-03 -2.602 -2.652 -0.050
FeCl+ 3.814e-11 3.410e-11 -10.419 -10.467 -0.049
FeCl+2 1.194e-26 7.627e-27 -25.923 -26.118 -0.194
FeCl2+ 8.499e-29 7.599e-29 -28.071 -28.119 -0.049
FeCl3 1.690e-32 1.695e-32 -31.772 -31.771 0.001
Cl- 2.500e-03 2.230e-03 -2.602 -2.652 -0.050 17.82
FeCl+ 3.814e-11 3.410e-11 -10.419 -10.467 -0.049 (0)
FeCl+2 1.194e-26 7.627e-27 -25.923 -26.118 -0.194 (0)
FeCl2+ 8.499e-29 7.599e-29 -28.071 -28.119 -0.049 (0)
FeCl3 1.690e-32 1.695e-32 -31.772 -31.771 0.001 (0)
Fe(2) 2.124e-08
Fe+2 1.693e-08 1.108e-08 -7.771 -7.956 -0.184
FeSO4 2.784e-09 2.792e-09 -8.555 -8.554 0.001
FeHCO3+ 5.691e-10 5.088e-10 -9.245 -9.293 -0.049
FeCO3 5.477e-10 5.493e-10 -9.261 -9.260 0.001
FeOH+ 3.758e-10 3.360e-10 -9.425 -9.474 -0.049
FeCl+ 3.814e-11 3.410e-11 -10.419 -10.467 -0.049
FeHSO4+ 2.139e-16 1.913e-16 -15.670 -15.718 -0.049
Fe(HS)2 2.796e-18 2.804e-18 -17.553 -17.552 0.001
Fe(HS)3- 1.820e-25 1.627e-25 -24.740 -24.789 -0.049
Fe+2 1.693e-08 1.108e-08 -7.771 -7.956 -0.184 (0)
FeSO4 2.784e-09 2.792e-09 -8.555 -8.554 0.001 (0)
FeHCO3+ 5.691e-10 5.088e-10 -9.245 -9.293 -0.049 (0)
FeCO3 5.477e-10 5.493e-10 -9.261 -9.260 0.001 (0)
FeOH+ 3.758e-10 3.360e-10 -9.425 -9.474 -0.049 (0)
FeCl+ 3.814e-11 3.410e-11 -10.419 -10.467 -0.049 (0)
FeHSO4+ 2.139e-16 1.913e-16 -15.670 -15.718 -0.049 (0)
Fe(HS)2 2.796e-18 2.804e-18 -17.553 -17.552 0.001 (0)
Fe(HS)3- 1.820e-25 1.627e-25 -24.740 -24.789 -0.049 (0)
Fe(3) 3.265e-14
Fe(OH)3 2.746e-14 2.754e-14 -13.561 -13.560 0.001
Fe(OH)4- 2.695e-15 2.409e-15 -14.569 -14.618 -0.049
Fe(OH)2+ 2.492e-15 2.228e-15 -14.603 -14.652 -0.049
FeOH+2 1.098e-19 7.014e-20 -18.960 -19.154 -0.194
FeSO4+ 1.968e-24 1.760e-24 -23.706 -23.755 -0.049
Fe+3 2.720e-25 1.132e-25 -24.566 -24.946 -0.381
Fe(SO4)2- 6.105e-26 5.458e-26 -25.214 -25.263 -0.049
FeCl+2 1.194e-26 7.627e-27 -25.923 -26.118 -0.194
FeCl2+ 8.499e-29 7.599e-29 -28.071 -28.119 -0.049
FeHSO4+2 7.686e-32 4.911e-32 -31.114 -31.309 -0.194
FeCl3 1.690e-32 1.695e-32 -31.772 -31.771 0.001
Fe2(OH)2+4 7.941e-37 1.324e-37 -36.100 -36.878 -0.778
Fe3(OH)4+5 0.000e+00 0.000e+00 -47.995 -49.210 -1.216
Fe(OH)3 2.746e-14 2.754e-14 -13.561 -13.560 0.001 (0)
Fe(OH)4- 2.695e-15 2.409e-15 -14.569 -14.618 -0.049 (0)
Fe(OH)2+ 2.492e-15 2.228e-15 -14.603 -14.652 -0.049 (0)
FeOH+2 1.098e-19 7.014e-20 -18.960 -19.154 -0.194 (0)
FeSO4+ 1.968e-24 1.760e-24 -23.706 -23.755 -0.049 (0)
Fe+3 2.720e-25 1.132e-25 -24.566 -24.946 -0.381 (0)
Fe(SO4)2- 6.105e-26 5.458e-26 -25.214 -25.263 -0.049 (0)
FeCl+2 1.194e-26 7.627e-27 -25.923 -26.118 -0.194 (0)
FeCl2+ 8.499e-29 7.599e-29 -28.071 -28.119 -0.049 (0)
FeHSO4+2 7.686e-32 4.911e-32 -31.114 -31.309 -0.194 (0)
FeCl3 1.690e-32 1.695e-32 -31.772 -31.771 0.001 (0)
Fe2(OH)2+4 7.941e-37 1.324e-37 -36.100 -36.878 -0.778 (0)
Fe3(OH)4+5 0.000e+00 0.000e+00 -47.995 -49.210 -1.216 (0)
H(0) 1.338e-11
H2 6.691e-12 6.710e-12 -11.174 -11.173 0.001
H2 6.691e-12 6.710e-12 -11.174 -11.173 0.001 (0)
Na 2.500e-03
Na+ 2.482e-03 2.222e-03 -2.605 -2.653 -0.048
NaSO4- 1.766e-05 1.579e-05 -4.753 -4.802 -0.049
NaHCO3 5.724e-07 5.740e-07 -6.242 -6.241 0.001
NaCO3- 9.566e-08 8.553e-08 -7.019 -7.068 -0.049
NaOH 1.404e-09 1.408e-09 -8.853 -8.851 0.001
Na+ 2.482e-03 2.222e-03 -2.605 -2.653 -0.048 -1.21
NaSO4- 1.766e-05 1.579e-05 -4.753 -4.802 -0.049 (0)
NaHCO3 5.724e-07 5.740e-07 -6.242 -6.241 0.001 (0)
NaCO3- 9.566e-08 8.553e-08 -7.019 -7.068 -0.049 (0)
NaOH 1.404e-09 1.408e-09 -8.853 -8.851 0.001 (0)
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -70.035 -70.034 0.001
O2 0.000e+00 0.000e+00 -70.035 -70.034 0.001 (0)
S(-2) 6.460e-10
HS- 5.976e-10 5.329e-10 -9.224 -9.273 -0.050
H2S 4.843e-11 4.856e-11 -10.315 -10.314 0.001
S-2 9.562e-15 6.176e-15 -14.019 -14.209 -0.190
Fe(HS)2 2.796e-18 2.804e-18 -17.553 -17.552 0.001
Fe(HS)3- 1.820e-25 1.627e-25 -24.740 -24.789 -0.049
HS- 5.976e-10 5.329e-10 -9.224 -9.273 -0.050 (0)
H2S 4.843e-11 4.856e-11 -10.315 -10.314 0.001 (0)
S-2 9.562e-15 6.176e-15 -14.019 -14.209 -0.190 (0)
Fe(HS)2 2.796e-18 2.804e-18 -17.553 -17.552 0.001 (0)
Fe(HS)3- 1.820e-25 1.627e-25 -24.740 -24.789 -0.049 (0)
S(6) 2.667e-03
SO4-2 2.197e-03 1.418e-03 -2.658 -2.848 -0.190
CaSO4 4.520e-04 4.532e-04 -3.345 -3.344 0.001
NaSO4- 1.766e-05 1.579e-05 -4.753 -4.802 -0.049
FeSO4 2.784e-09 2.792e-09 -8.555 -8.554 0.001
HSO4- 1.606e-09 1.436e-09 -8.794 -8.843 -0.049
CaHSO4+ 3.095e-11 2.767e-11 -10.509 -10.558 -0.049
FeHSO4+ 2.139e-16 1.913e-16 -15.670 -15.718 -0.049
FeSO4+ 1.968e-24 1.760e-24 -23.706 -23.755 -0.049
Fe(SO4)2- 6.105e-26 5.458e-26 -25.214 -25.263 -0.049
FeHSO4+2 7.686e-32 4.911e-32 -31.114 -31.309 -0.194
SO4-2 2.197e-03 1.418e-03 -2.658 -2.848 -0.190 13.98
CaSO4 4.520e-04 4.532e-04 -3.345 -3.344 0.001 (0)
NaSO4- 1.766e-05 1.579e-05 -4.753 -4.802 -0.049 (0)
FeSO4 2.784e-09 2.792e-09 -8.555 -8.554 0.001 (0)
HSO4- 1.606e-09 1.436e-09 -8.794 -8.843 -0.049 (0)
CaHSO4+ 3.095e-11 2.767e-11 -10.509 -10.558 -0.049 (0)
FeHSO4+ 2.139e-16 1.913e-16 -15.670 -15.718 -0.049 (0)
FeSO4+ 1.968e-24 1.760e-24 -23.706 -23.755 -0.049 (0)
Fe(SO4)2- 6.105e-26 5.458e-26 -25.214 -25.263 -0.049 (0)
FeHSO4+2 7.686e-32 4.911e-32 -31.114 -31.309 -0.194 (0)
------------------------------Saturation indices-------------------------------
@ -674,88 +674,88 @@ Pyrite -0.00 -18.48 -18.48 1.000e+01 9.997e+00 -2.667e-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- 8.898e-07 7.665e-07 -6.051 -6.115 -0.065
H+ 1.474e-08 1.306e-08 -7.832 -7.884 -0.053
H2O 5.551e+01 9.997e-01 1.744 -0.000 0.000
OH- 8.898e-07 7.665e-07 -6.051 -6.115 -0.065 (0)
H+ 1.474e-08 1.306e-08 -7.832 -7.884 -0.053 0.00
H2O 5.551e+01 9.997e-01 1.744 -0.000 0.000 18.07
C(-4) 7.696e-14
CH4 7.696e-14 7.735e-14 -13.114 -13.112 0.002
CH4 7.696e-14 7.735e-14 -13.114 -13.112 0.002 (0)
C(4) 4.540e-04
HCO3- 4.210e-04 3.666e-04 -3.376 -3.436 -0.060
CaHCO3+ 1.351e-05 1.177e-05 -4.869 -4.929 -0.060
CO2 1.071e-05 1.077e-05 -4.970 -4.968 0.002
CaCO3 5.536e-06 5.565e-06 -5.257 -5.255 0.002
CO3-2 2.289e-06 1.317e-06 -5.640 -5.880 -0.240
NaHCO3 8.791e-07 8.836e-07 -6.056 -6.054 0.002
NaCO3- 1.214e-07 1.051e-07 -6.916 -6.978 -0.063
FeHCO3+ 6.487e-10 5.616e-10 -9.188 -9.251 -0.063
FeCO3 4.814e-10 4.839e-10 -9.317 -9.315 0.002
HCO3- 4.210e-04 3.666e-04 -3.376 -3.436 -0.060 24.29
CaHCO3+ 1.351e-05 1.177e-05 -4.869 -4.929 -0.060 (0)
CO2 1.071e-05 1.077e-05 -4.970 -4.968 0.002 (0)
CaCO3 5.536e-06 5.565e-06 -5.257 -5.255 0.002 (0)
CO3-2 2.289e-06 1.317e-06 -5.640 -5.880 -0.240 -3.78
NaHCO3 8.791e-07 8.836e-07 -6.056 -6.054 0.002 (0)
NaCO3- 1.214e-07 1.051e-07 -6.916 -6.978 -0.063 (0)
FeHCO3+ 6.487e-10 5.616e-10 -9.188 -9.251 -0.063 (0)
FeCO3 4.814e-10 4.839e-10 -9.317 -9.315 0.002 (0)
Ca 5.560e-03
Ca+2 4.373e-03 2.515e-03 -2.359 -2.599 -0.240
CaSO4 1.168e-03 1.174e-03 -2.933 -2.930 0.002
CaHCO3+ 1.351e-05 1.177e-05 -4.869 -4.929 -0.060
CaCO3 5.536e-06 5.565e-06 -5.257 -5.255 0.002
CaOH+ 3.692e-08 3.196e-08 -7.433 -7.495 -0.063
CaHSO4+ 1.037e-10 8.977e-11 -9.984 -10.047 -0.063
Ca+2 4.373e-03 2.515e-03 -2.359 -2.599 -0.240 -17.83
CaSO4 1.168e-03 1.174e-03 -2.933 -2.930 0.002 (0)
CaHCO3+ 1.351e-05 1.177e-05 -4.869 -4.929 -0.060 (0)
CaCO3 5.536e-06 5.565e-06 -5.257 -5.255 0.002 (0)
CaOH+ 3.692e-08 3.196e-08 -7.433 -7.495 -0.063 (0)
CaHSO4+ 1.037e-10 8.977e-11 -9.984 -10.047 -0.063 (0)
Cl 5.000e-03
Cl- 5.000e-03 4.311e-03 -2.301 -2.365 -0.064
FeCl+ 1.053e-10 9.114e-11 -9.978 -10.040 -0.063
FeCl+2 5.162e-26 2.899e-26 -25.287 -25.538 -0.251
FeCl2+ 6.449e-28 5.583e-28 -27.191 -27.253 -0.063
FeCl3 2.394e-31 2.406e-31 -30.621 -30.619 0.002
Cl- 5.000e-03 4.311e-03 -2.301 -2.365 -0.064 17.82
FeCl+ 1.053e-10 9.114e-11 -9.978 -10.040 -0.063 (0)
FeCl+2 5.162e-26 2.899e-26 -25.287 -25.538 -0.251 (0)
FeCl2+ 6.449e-28 5.583e-28 -27.191 -27.253 -0.063 (0)
FeCl3 2.394e-31 2.406e-31 -30.621 -30.619 0.002 (0)
Fe(2) 3.429e-08
Fe+2 2.629e-08 1.532e-08 -7.580 -7.815 -0.235
FeSO4 6.337e-09 6.369e-09 -8.198 -8.196 0.002
FeHCO3+ 6.487e-10 5.616e-10 -9.188 -9.251 -0.063
FeCO3 4.814e-10 4.839e-10 -9.317 -9.315 0.002
FeOH+ 4.284e-10 3.708e-10 -9.368 -9.431 -0.063
FeCl+ 1.053e-10 9.114e-11 -9.978 -10.040 -0.063
FeHSO4+ 6.314e-16 5.466e-16 -15.200 -15.262 -0.063
Fe(HS)2 2.164e-18 2.175e-18 -17.665 -17.663 0.002
Fe(HS)3- 1.092e-25 9.454e-26 -24.962 -25.024 -0.063
Fe+2 2.629e-08 1.532e-08 -7.580 -7.815 -0.235 (0)
FeSO4 6.337e-09 6.369e-09 -8.198 -8.196 0.002 (0)
FeHCO3+ 6.487e-10 5.616e-10 -9.188 -9.251 -0.063 (0)
FeCO3 4.814e-10 4.839e-10 -9.317 -9.315 0.002 (0)
FeOH+ 4.284e-10 3.708e-10 -9.368 -9.431 -0.063 (0)
FeCl+ 1.053e-10 9.114e-11 -9.978 -10.040 -0.063 (0)
FeHSO4+ 6.314e-16 5.466e-16 -15.200 -15.262 -0.063 (0)
Fe(HS)2 2.164e-18 2.175e-18 -17.665 -17.663 0.002 (0)
Fe(HS)3- 1.092e-25 9.454e-26 -24.962 -25.024 -0.063 (0)
Fe(3) 3.284e-14
Fe(OH)3 2.739e-14 2.753e-14 -13.562 -13.560 0.002
Fe(OH)2+ 3.224e-15 2.791e-15 -14.492 -14.554 -0.063
Fe(OH)4- 2.221e-15 1.923e-15 -14.653 -14.716 -0.063
FeOH+2 1.960e-19 1.101e-19 -18.708 -18.958 -0.251
FeSO4+ 6.596e-24 5.710e-24 -23.181 -23.243 -0.063
Fe+3 6.635e-25 2.227e-25 -24.178 -24.652 -0.474
Fe(SO4)2- 3.374e-25 2.921e-25 -24.472 -24.534 -0.063
FeCl+2 5.162e-26 2.899e-26 -25.287 -25.538 -0.251
FeCl2+ 6.449e-28 5.583e-28 -27.191 -27.253 -0.063
FeHSO4+2 3.555e-31 1.996e-31 -30.449 -30.700 -0.251
FeCl3 2.394e-31 2.406e-31 -30.621 -30.619 0.002
Fe2(OH)2+4 3.279e-36 3.263e-37 -35.484 -36.486 -1.002
Fe3(OH)4+5 0.000e+00 0.000e+00 -47.155 -48.721 -1.566
Fe(OH)3 2.739e-14 2.753e-14 -13.562 -13.560 0.002 (0)
Fe(OH)2+ 3.224e-15 2.791e-15 -14.492 -14.554 -0.063 (0)
Fe(OH)4- 2.221e-15 1.923e-15 -14.653 -14.716 -0.063 (0)
FeOH+2 1.960e-19 1.101e-19 -18.708 -18.958 -0.251 (0)
FeSO4+ 6.596e-24 5.710e-24 -23.181 -23.243 -0.063 (0)
Fe+3 6.635e-25 2.227e-25 -24.178 -24.652 -0.474 (0)
Fe(SO4)2- 3.374e-25 2.921e-25 -24.472 -24.534 -0.063 (0)
FeCl+2 5.162e-26 2.899e-26 -25.287 -25.538 -0.251 (0)
FeCl2+ 6.449e-28 5.583e-28 -27.191 -27.253 -0.063 (0)
FeHSO4+2 3.555e-31 1.996e-31 -30.449 -30.700 -0.251 (0)
FeCl3 2.394e-31 2.406e-31 -30.621 -30.619 0.002 (0)
Fe2(OH)2+4 3.279e-36 3.263e-37 -35.484 -36.486 -1.002 (0)
Fe3(OH)4+5 0.000e+00 0.000e+00 -47.155 -48.721 -1.566 (0)
H(0) 1.036e-11
H2 5.179e-12 5.205e-12 -11.286 -11.284 0.002
H2 5.179e-12 5.205e-12 -11.286 -11.284 0.002 (0)
Na 5.000e-03
Na+ 4.941e-03 4.286e-03 -2.306 -2.368 -0.062
NaSO4- 5.802e-05 5.023e-05 -4.236 -4.299 -0.063
NaHCO3 8.791e-07 8.836e-07 -6.056 -6.054 0.002
NaCO3- 1.214e-07 1.051e-07 -6.916 -6.978 -0.063
NaOH 2.157e-09 2.168e-09 -8.666 -8.664 0.002
Na+ 4.941e-03 4.286e-03 -2.306 -2.368 -0.062 -1.21
NaSO4- 5.802e-05 5.023e-05 -4.236 -4.299 -0.063 (0)
NaHCO3 8.791e-07 8.836e-07 -6.056 -6.054 0.002 (0)
NaCO3- 1.214e-07 1.051e-07 -6.916 -6.978 -0.063 (0)
NaOH 2.157e-09 2.168e-09 -8.666 -8.664 0.002 (0)
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -69.815 -69.813 0.002
O2 0.000e+00 0.000e+00 -69.815 -69.813 0.002 (0)
S(-2) 5.087e-10
HS- 4.634e-10 3.992e-10 -9.334 -9.399 -0.065
H2S 4.533e-11 4.557e-11 -10.344 -10.341 0.002
S-2 6.474e-15 3.693e-15 -14.189 -14.433 -0.244
Fe(HS)2 2.164e-18 2.175e-18 -17.665 -17.663 0.002
Fe(HS)3- 1.092e-25 9.454e-26 -24.962 -25.024 -0.063
HS- 4.634e-10 3.992e-10 -9.334 -9.399 -0.065 (0)
H2S 4.533e-11 4.557e-11 -10.344 -10.341 0.002 (0)
S-2 6.474e-15 3.693e-15 -14.189 -14.433 -0.244 (0)
Fe(HS)2 2.164e-18 2.175e-18 -17.665 -17.663 0.002 (0)
Fe(HS)3- 1.092e-25 9.454e-26 -24.962 -25.024 -0.063 (0)
S(6) 5.333e-03
SO4-2 4.108e-03 2.338e-03 -2.386 -2.631 -0.245
CaSO4 1.168e-03 1.174e-03 -2.933 -2.930 0.002
NaSO4- 5.802e-05 5.023e-05 -4.236 -4.299 -0.063
FeSO4 6.337e-09 6.369e-09 -8.198 -8.196 0.002
HSO4- 3.429e-09 2.968e-09 -8.465 -8.527 -0.063
CaHSO4+ 1.037e-10 8.977e-11 -9.984 -10.047 -0.063
FeHSO4+ 6.314e-16 5.466e-16 -15.200 -15.262 -0.063
FeSO4+ 6.596e-24 5.710e-24 -23.181 -23.243 -0.063
Fe(SO4)2- 3.374e-25 2.921e-25 -24.472 -24.534 -0.063
FeHSO4+2 3.555e-31 1.996e-31 -30.449 -30.700 -0.251
SO4-2 4.108e-03 2.338e-03 -2.386 -2.631 -0.245 13.98
CaSO4 1.168e-03 1.174e-03 -2.933 -2.930 0.002 (0)
NaSO4- 5.802e-05 5.023e-05 -4.236 -4.299 -0.063 (0)
FeSO4 6.337e-09 6.369e-09 -8.198 -8.196 0.002 (0)
HSO4- 3.429e-09 2.968e-09 -8.465 -8.527 -0.063 (0)
CaHSO4+ 1.037e-10 8.977e-11 -9.984 -10.047 -0.063 (0)
FeHSO4+ 6.314e-16 5.466e-16 -15.200 -15.262 -0.063 (0)
FeSO4+ 6.596e-24 5.710e-24 -23.181 -23.243 -0.063 (0)
Fe(SO4)2- 3.374e-25 2.921e-25 -24.472 -24.534 -0.063 (0)
FeHSO4+2 3.555e-31 1.996e-31 -30.449 -30.700 -0.251 (0)
------------------------------Saturation indices-------------------------------
@ -847,88 +847,88 @@ Pyrite 0.00 -18.48 -18.48 1.000e+01 9.992e+00 -8.000e-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- 6.713e-07 5.368e-07 -6.173 -6.270 -0.097
H+ 2.200e-08 1.863e-08 -7.658 -7.730 -0.072
H2O 5.551e+01 9.990e-01 1.744 -0.000 0.000
OH- 6.713e-07 5.368e-07 -6.173 -6.270 -0.097 (0)
H+ 2.200e-08 1.863e-08 -7.658 -7.730 -0.072 0.00
H2O 5.551e+01 9.990e-01 1.744 -0.000 0.000 18.07
C(-4) 1.669e-14
CH4 1.669e-14 1.693e-14 -13.777 -13.771 0.006
CH4 1.669e-14 1.693e-14 -13.777 -13.771 0.006 (0)
C(4) 3.535e-04
HCO3- 3.135e-04 2.568e-04 -3.504 -3.590 -0.087
CaHCO3+ 2.050e-05 1.679e-05 -4.688 -4.775 -0.087
CO2 1.062e-05 1.077e-05 -4.974 -4.968 0.006
CaCO3 5.489e-06 5.565e-06 -5.261 -5.255 0.006
NaHCO3 1.697e-06 1.721e-06 -5.770 -5.764 0.006
CO3-2 1.437e-06 6.464e-07 -5.843 -6.190 -0.347
NaCO3- 1.768e-07 1.434e-07 -6.753 -6.843 -0.091
FeHCO3+ 8.172e-10 6.630e-10 -9.088 -9.178 -0.091
FeCO3 3.949e-10 4.003e-10 -9.404 -9.398 0.006
HCO3- 3.135e-04 2.568e-04 -3.504 -3.590 -0.087 24.29
CaHCO3+ 2.050e-05 1.679e-05 -4.688 -4.775 -0.087 (0)
CO2 1.062e-05 1.077e-05 -4.974 -4.968 0.006 (0)
CaCO3 5.489e-06 5.565e-06 -5.261 -5.255 0.006 (0)
NaHCO3 1.697e-06 1.721e-06 -5.770 -5.764 0.006 (0)
CO3-2 1.437e-06 6.464e-07 -5.843 -6.190 -0.347 -3.78
NaCO3- 1.768e-07 1.434e-07 -6.753 -6.843 -0.091 (0)
FeHCO3+ 8.172e-10 6.630e-10 -9.088 -9.178 -0.091 (0)
FeCO3 3.949e-10 4.003e-10 -9.404 -9.398 0.006 (0)
Ca 1.618e-02
Ca+2 1.135e-02 5.125e-03 -1.945 -2.290 -0.345
CaSO4 4.805e-03 4.871e-03 -2.318 -2.312 0.006
CaHCO3+ 2.050e-05 1.679e-05 -4.688 -4.775 -0.087
CaCO3 5.489e-06 5.565e-06 -5.261 -5.255 0.006
CaOH+ 5.622e-08 4.561e-08 -7.250 -7.341 -0.091
CaHSO4+ 6.553e-10 5.316e-10 -9.184 -9.274 -0.091
Ca+2 1.135e-02 5.125e-03 -1.945 -2.290 -0.345 -17.83
CaSO4 4.805e-03 4.871e-03 -2.318 -2.312 0.006 (0)
CaHCO3+ 2.050e-05 1.679e-05 -4.688 -4.775 -0.087 (0)
CaCO3 5.489e-06 5.565e-06 -5.261 -5.255 0.006 (0)
CaOH+ 5.622e-08 4.561e-08 -7.250 -7.341 -0.091 (0)
CaHSO4+ 6.553e-10 5.316e-10 -9.184 -9.274 -0.091 (0)
Cl 1.500e-02
Cl- 1.500e-02 1.202e-02 -1.824 -1.920 -0.096
FeCl+ 5.281e-10 4.285e-10 -9.277 -9.368 -0.091
FeCl+2 5.429e-25 2.352e-25 -24.265 -24.629 -0.363
FeCl2+ 1.557e-26 1.263e-26 -25.808 -25.899 -0.091
FeCl3 1.498e-29 1.518e-29 -28.825 -28.819 0.006
Cl- 1.500e-02 1.202e-02 -1.824 -1.920 -0.096 17.82
FeCl+ 5.281e-10 4.285e-10 -9.277 -9.368 -0.091 (0)
FeCl+2 5.429e-25 2.352e-25 -24.265 -24.629 -0.363 (0)
FeCl2+ 1.557e-26 1.263e-26 -25.808 -25.899 -0.091 (0)
FeCl3 1.498e-29 1.518e-29 -28.825 -28.819 0.006 (0)
Fe(2) 7.979e-08
Fe+2 5.594e-08 2.582e-08 -7.252 -7.588 -0.336
FeSO4 2.157e-08 2.187e-08 -7.666 -7.660 0.006
FeHCO3+ 8.172e-10 6.630e-10 -9.088 -9.178 -0.091
FeOH+ 5.397e-10 4.378e-10 -9.268 -9.359 -0.091
FeCl+ 5.281e-10 4.285e-10 -9.277 -9.368 -0.091
FeCO3 3.949e-10 4.003e-10 -9.404 -9.398 0.006
FeHSO4+ 3.301e-15 2.678e-15 -14.481 -14.572 -0.091
Fe(HS)2 1.467e-18 1.487e-18 -17.834 -17.828 0.006
Fe(HS)3- 5.074e-26 4.116e-26 -25.295 -25.385 -0.091
Fe+2 5.594e-08 2.582e-08 -7.252 -7.588 -0.336 (0)
FeSO4 2.157e-08 2.187e-08 -7.666 -7.660 0.006 (0)
FeHCO3+ 8.172e-10 6.630e-10 -9.088 -9.178 -0.091 (0)
FeOH+ 5.397e-10 4.378e-10 -9.268 -9.359 -0.091 (0)
FeCl+ 5.281e-10 4.285e-10 -9.277 -9.368 -0.091 (0)
FeCO3 3.949e-10 4.003e-10 -9.404 -9.398 0.006 (0)
FeHSO4+ 3.301e-15 2.678e-15 -14.481 -14.572 -0.091 (0)
Fe(HS)2 1.467e-18 1.487e-18 -17.834 -17.828 0.006 (0)
Fe(HS)3- 5.074e-26 4.116e-26 -25.295 -25.385 -0.091 (0)
Fe(3) 3.371e-14
Fe(OH)3 2.714e-14 2.752e-14 -13.566 -13.560 0.006
Fe(OH)2+ 4.909e-15 3.983e-15 -14.309 -14.400 -0.091
Fe(OH)4- 1.659e-15 1.346e-15 -14.780 -14.871 -0.091
FeOH+2 5.177e-19 2.243e-19 -18.286 -18.649 -0.363
FeSO4+ 4.171e-23 3.384e-23 -22.380 -22.471 -0.091
Fe(SO4)2- 4.347e-24 3.527e-24 -23.362 -23.453 -0.091
Fe+3 2.894e-24 6.479e-25 -23.539 -24.188 -0.650
FeCl+2 5.429e-25 2.352e-25 -24.265 -24.629 -0.363
FeCl2+ 1.557e-26 1.263e-26 -25.808 -25.899 -0.091
FeCl3 1.498e-29 1.518e-29 -28.825 -28.819 0.006
FeHSO4+2 3.896e-30 1.688e-30 -29.409 -29.773 -0.363
Fe2(OH)2+4 3.843e-35 1.354e-36 -34.415 -35.868 -1.453
Fe3(OH)4+5 0.000e+00 0.000e+00 -45.678 -47.948 -2.270
Fe(OH)3 2.714e-14 2.752e-14 -13.566 -13.560 0.006 (0)
Fe(OH)2+ 4.909e-15 3.983e-15 -14.309 -14.400 -0.091 (0)
Fe(OH)4- 1.659e-15 1.346e-15 -14.780 -14.871 -0.091 (0)
FeOH+2 5.177e-19 2.243e-19 -18.286 -18.649 -0.363 (0)
FeSO4+ 4.171e-23 3.384e-23 -22.380 -22.471 -0.091 (0)
Fe(SO4)2- 4.347e-24 3.527e-24 -23.362 -23.453 -0.091 (0)
Fe+3 2.894e-24 6.479e-25 -23.539 -24.188 -0.650 (0)
FeCl+2 5.429e-25 2.352e-25 -24.265 -24.629 -0.363 (0)
FeCl2+ 1.557e-26 1.263e-26 -25.808 -25.899 -0.091 (0)
FeCl3 1.498e-29 1.518e-29 -28.825 -28.819 0.006 (0)
FeHSO4+2 3.896e-30 1.688e-30 -29.409 -29.773 -0.363 (0)
Fe2(OH)2+4 3.843e-35 1.354e-36 -34.415 -35.868 -1.453 (0)
Fe3(OH)4+5 0.000e+00 0.000e+00 -45.678 -47.948 -2.270 (0)
H(0) 7.021e-12
H2 3.511e-12 3.559e-12 -11.455 -11.449 0.006
H2 3.511e-12 3.559e-12 -11.455 -11.449 0.006 (0)
Na 1.500e-02
Na+ 1.465e-02 1.192e-02 -1.834 -1.924 -0.090
NaSO4- 3.506e-04 2.845e-04 -3.455 -3.546 -0.091
NaHCO3 1.697e-06 1.721e-06 -5.770 -5.764 0.006
NaCO3- 1.768e-07 1.434e-07 -6.753 -6.843 -0.091
NaOH 4.164e-09 4.222e-09 -8.380 -8.375 0.006
Na+ 1.465e-02 1.192e-02 -1.834 -1.924 -0.090 -1.21
NaSO4- 3.506e-04 2.845e-04 -3.455 -3.546 -0.091 (0)
NaHCO3 1.697e-06 1.721e-06 -5.770 -5.764 0.006 (0)
NaCO3- 1.768e-07 1.434e-07 -6.753 -6.843 -0.091 (0)
NaOH 4.164e-09 4.222e-09 -8.380 -8.375 0.006 (0)
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -69.489 -69.484 0.006
O2 0.000e+00 0.000e+00 -69.489 -69.484 0.006 (0)
S(-2) 3.587e-10
HS- 3.179e-10 2.542e-10 -9.498 -9.595 -0.097
H2S 4.084e-11 4.141e-11 -10.389 -10.383 0.006
S-2 3.732e-15 1.648e-15 -14.428 -14.783 -0.355
Fe(HS)2 1.467e-18 1.487e-18 -17.834 -17.828 0.006
Fe(HS)3- 5.074e-26 4.116e-26 -25.295 -25.385 -0.091
HS- 3.179e-10 2.542e-10 -9.498 -9.595 -0.097 (0)
H2S 4.084e-11 4.141e-11 -10.389 -10.383 0.006 (0)
S-2 3.732e-15 1.648e-15 -14.428 -14.783 -0.355 (0)
Fe(HS)2 1.467e-18 1.487e-18 -17.834 -17.828 0.006 (0)
Fe(HS)3- 5.074e-26 4.116e-26 -25.295 -25.385 -0.091 (0)
S(6) 1.600e-02
SO4-2 1.085e-02 4.763e-03 -1.965 -2.322 -0.357
CaSO4 4.805e-03 4.871e-03 -2.318 -2.312 0.006
NaSO4- 3.506e-04 2.845e-04 -3.455 -3.546 -0.091
FeSO4 2.157e-08 2.187e-08 -7.666 -7.660 0.006
HSO4- 1.063e-08 8.628e-09 -7.973 -8.064 -0.091
CaHSO4+ 6.553e-10 5.316e-10 -9.184 -9.274 -0.091
FeHSO4+ 3.301e-15 2.678e-15 -14.481 -14.572 -0.091
FeSO4+ 4.171e-23 3.384e-23 -22.380 -22.471 -0.091
Fe(SO4)2- 4.347e-24 3.527e-24 -23.362 -23.453 -0.091
FeHSO4+2 3.896e-30 1.688e-30 -29.409 -29.773 -0.363
SO4-2 1.085e-02 4.763e-03 -1.965 -2.322 -0.357 13.98
CaSO4 4.805e-03 4.871e-03 -2.318 -2.312 0.006 (0)
NaSO4- 3.506e-04 2.845e-04 -3.455 -3.546 -0.091 (0)
FeSO4 2.157e-08 2.187e-08 -7.666 -7.660 0.006 (0)
HSO4- 1.063e-08 8.628e-09 -7.973 -8.064 -0.091 (0)
CaHSO4+ 6.553e-10 5.316e-10 -9.184 -9.274 -0.091 (0)
FeHSO4+ 3.301e-15 2.678e-15 -14.481 -14.572 -0.091 (0)
FeSO4+ 4.171e-23 3.384e-23 -22.380 -22.471 -0.091 (0)
Fe(SO4)2- 4.347e-24 3.527e-24 -23.362 -23.453 -0.091 (0)
FeHSO4+2 3.896e-30 1.688e-30 -29.409 -29.773 -0.363 (0)
------------------------------Saturation indices-------------------------------
@ -1020,88 +1020,88 @@ Pyrite 0.00 -18.48 -18.48 1.000e+01 9.987e+00 -1.333e-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
OH- 6.681e-07 5.237e-07 -6.175 -6.281 -0.106
H+ 2.279e-08 1.909e-08 -7.642 -7.719 -0.077
H2O 5.551e+01 9.986e-01 1.744 -0.001 0.000
OH- 6.681e-07 5.237e-07 -6.175 -6.281 -0.106 (0)
H+ 2.279e-08 1.909e-08 -7.642 -7.719 -0.077 0.00
H2O 5.551e+01 9.986e-01 1.744 -0.001 0.000 18.07
C(-4) 1.534e-14
CH4 1.534e-14 1.561e-14 -13.814 -13.807 0.007
CH4 1.534e-14 1.561e-14 -13.814 -13.807 0.007 (0)
C(4) 3.526e-04
HCO3- 3.108e-04 2.505e-04 -3.508 -3.601 -0.094
CaHCO3+ 2.134e-05 1.720e-05 -4.671 -4.764 -0.094
CO2 1.058e-05 1.077e-05 -4.975 -4.968 0.007
CaCO3 5.470e-06 5.565e-06 -5.262 -5.255 0.007
NaHCO3 2.706e-06 2.752e-06 -5.568 -5.560 0.007
CO3-2 1.458e-06 6.155e-07 -5.836 -6.211 -0.374
NaCO3- 2.804e-07 2.239e-07 -6.552 -6.650 -0.098
FeHCO3+ 8.424e-10 6.727e-10 -9.074 -9.172 -0.098
FeCO3 3.897e-10 3.964e-10 -9.409 -9.402 0.007
HCO3- 3.108e-04 2.505e-04 -3.508 -3.601 -0.094 24.29
CaHCO3+ 2.134e-05 1.720e-05 -4.671 -4.764 -0.094 (0)
CO2 1.058e-05 1.077e-05 -4.975 -4.968 0.007 (0)
CaCO3 5.470e-06 5.565e-06 -5.262 -5.255 0.007 (0)
NaHCO3 2.706e-06 2.752e-06 -5.568 -5.560 0.007 (0)
CO3-2 1.458e-06 6.155e-07 -5.836 -6.211 -0.374 -3.78
NaCO3- 2.804e-07 2.239e-07 -6.552 -6.650 -0.098 (0)
FeHCO3+ 8.424e-10 6.727e-10 -9.074 -9.172 -0.098 (0)
FeCO3 3.897e-10 3.964e-10 -9.409 -9.402 0.007 (0)
Ca 1.785e-02
Ca+2 1.266e-02 5.382e-03 -1.898 -2.269 -0.371
CaSO4 5.162e-03 5.251e-03 -2.287 -2.280 0.007
CaHCO3+ 2.134e-05 1.720e-05 -4.671 -4.764 -0.094
CaCO3 5.470e-06 5.565e-06 -5.262 -5.255 0.007
CaOH+ 5.853e-08 4.673e-08 -7.233 -7.330 -0.098
CaHSO4+ 7.355e-10 5.872e-10 -9.133 -9.231 -0.098
Ca+2 1.266e-02 5.382e-03 -1.898 -2.269 -0.371 -17.83
CaSO4 5.162e-03 5.251e-03 -2.287 -2.280 0.007 (0)
CaHCO3+ 2.134e-05 1.720e-05 -4.671 -4.764 -0.094 (0)
CaCO3 5.470e-06 5.565e-06 -5.262 -5.255 0.007 (0)
CaOH+ 5.853e-08 4.673e-08 -7.233 -7.330 -0.098 (0)
CaHSO4+ 7.355e-10 5.872e-10 -9.133 -9.231 -0.098 (0)
Cl 2.501e-02
Cl- 2.501e-02 1.966e-02 -1.602 -1.706 -0.105
FeCl+ 9.125e-10 7.286e-10 -9.040 -9.138 -0.098
FeCl+2 1.019e-24 4.140e-25 -23.992 -24.383 -0.391
FeCl2+ 4.553e-26 3.635e-26 -25.342 -25.439 -0.098
FeCl3 7.025e-29 7.146e-29 -28.153 -28.146 0.007
Cl- 2.501e-02 1.966e-02 -1.602 -1.706 -0.105 17.82
FeCl+ 9.125e-10 7.286e-10 -9.040 -9.138 -0.098 (0)
FeCl+2 1.019e-24 4.140e-25 -23.992 -24.383 -0.391 (0)
FeCl2+ 4.553e-26 3.635e-26 -25.342 -25.439 -0.098 (0)
FeCl3 7.025e-29 7.146e-29 -28.153 -28.146 0.007 (0)
Fe(2) 8.735e-08
Fe+2 6.170e-08 2.685e-08 -7.210 -7.571 -0.361
FeSO4 2.295e-08 2.335e-08 -7.639 -7.632 0.007
FeCl+ 9.125e-10 7.286e-10 -9.040 -9.138 -0.098
FeHCO3+ 8.424e-10 6.727e-10 -9.074 -9.172 -0.098
FeOH+ 5.563e-10 4.442e-10 -9.255 -9.352 -0.098
FeCO3 3.897e-10 3.964e-10 -9.409 -9.402 0.007
FeHSO4+ 3.669e-15 2.930e-15 -14.435 -14.533 -0.098
Fe(HS)2 1.432e-18 1.457e-18 -17.844 -17.837 0.007
Fe(HS)3- 4.903e-26 3.915e-26 -25.310 -25.407 -0.098
Fe+2 6.170e-08 2.685e-08 -7.210 -7.571 -0.361 (0)
FeSO4 2.295e-08 2.335e-08 -7.639 -7.632 0.007 (0)
FeCl+ 9.125e-10 7.286e-10 -9.040 -9.138 -0.098 (0)
FeHCO3+ 8.424e-10 6.727e-10 -9.074 -9.172 -0.098 (0)
FeOH+ 5.563e-10 4.442e-10 -9.255 -9.352 -0.098 (0)
FeCO3 3.897e-10 3.964e-10 -9.409 -9.402 0.007 (0)
FeHSO4+ 3.669e-15 2.930e-15 -14.435 -14.533 -0.098 (0)
Fe(HS)2 1.432e-18 1.457e-18 -17.844 -17.837 0.007 (0)
Fe(HS)3- 4.903e-26 3.915e-26 -25.310 -25.407 -0.098 (0)
Fe(3) 3.379e-14
Fe(OH)3 2.704e-14 2.750e-14 -13.568 -13.561 0.007
Fe(OH)2+ 5.111e-15 4.081e-15 -14.291 -14.389 -0.098
Fe(OH)4- 1.644e-15 1.312e-15 -14.784 -14.882 -0.098
FeOH+2 5.796e-19 2.356e-19 -18.237 -18.628 -0.391
FeSO4+ 4.683e-23 3.739e-23 -22.329 -22.427 -0.098
Fe(SO4)2- 5.010e-24 4.000e-24 -23.300 -23.398 -0.098
Fe+3 3.432e-24 6.974e-25 -23.464 -24.156 -0.692
FeCl+2 1.019e-24 4.140e-25 -23.992 -24.383 -0.391
FeCl2+ 4.553e-26 3.635e-26 -25.342 -25.439 -0.098
FeCl3 7.025e-29 7.146e-29 -28.153 -28.146 0.007
FeHSO4+2 4.703e-30 1.911e-30 -29.328 -29.719 -0.391
Fe2(OH)2+4 5.473e-35 1.494e-36 -34.262 -35.826 -1.564
Fe3(OH)4+5 0.000e+00 0.000e+00 -45.451 -47.895 -2.444
Fe(OH)3 2.704e-14 2.750e-14 -13.568 -13.561 0.007 (0)
Fe(OH)2+ 5.111e-15 4.081e-15 -14.291 -14.389 -0.098 (0)
Fe(OH)4- 1.644e-15 1.312e-15 -14.784 -14.882 -0.098 (0)
FeOH+2 5.796e-19 2.356e-19 -18.237 -18.628 -0.391 (0)
FeSO4+ 4.683e-23 3.739e-23 -22.329 -22.427 -0.098 (0)
Fe(SO4)2- 5.010e-24 4.000e-24 -23.300 -23.398 -0.098 (0)
Fe+3 3.432e-24 6.974e-25 -23.464 -24.156 -0.692 (0)
FeCl+2 1.019e-24 4.140e-25 -23.992 -24.383 -0.391 (0)
FeCl2+ 4.553e-26 3.635e-26 -25.342 -25.439 -0.098 (0)
FeCl3 7.025e-29 7.146e-29 -28.153 -28.146 0.007 (0)
FeHSO4+2 4.703e-30 1.911e-30 -29.328 -29.719 -0.391 (0)
Fe2(OH)2+4 5.473e-35 1.494e-36 -34.262 -35.826 -1.564 (0)
Fe3(OH)4+5 0.000e+00 0.000e+00 -45.451 -47.895 -2.444 (0)
H(0) 6.856e-12
H2 3.428e-12 3.487e-12 -11.465 -11.458 0.007
H2 3.428e-12 3.487e-12 -11.465 -11.458 0.007 (0)
Na 2.501e-02
Na+ 2.441e-02 1.954e-02 -1.612 -1.709 -0.097
NaSO4- 5.997e-04 4.788e-04 -3.222 -3.320 -0.098
NaHCO3 2.706e-06 2.752e-06 -5.568 -5.560 0.007
NaCO3- 2.804e-07 2.239e-07 -6.552 -6.650 -0.098
NaOH 6.639e-09 6.753e-09 -8.178 -8.170 0.007
Na+ 2.441e-02 1.954e-02 -1.612 -1.709 -0.097 -1.21
NaSO4- 5.997e-04 4.788e-04 -3.222 -3.320 -0.098 (0)
NaHCO3 2.706e-06 2.752e-06 -5.568 -5.560 0.007 (0)
NaCO3- 2.804e-07 2.239e-07 -6.552 -6.650 -0.098 (0)
NaOH 6.639e-09 6.753e-09 -8.178 -8.170 0.007 (0)
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -69.474 -69.466 0.007
O2 0.000e+00 0.000e+00 -69.474 -69.466 0.007 (0)
S(-2) 3.552e-10
HS- 3.148e-10 2.467e-10 -9.502 -9.608 -0.106
H2S 4.048e-11 4.118e-11 -10.393 -10.385 0.007
S-2 3.777e-15 1.561e-15 -14.423 -14.807 -0.384
Fe(HS)2 1.432e-18 1.457e-18 -17.844 -17.837 0.007
Fe(HS)3- 4.903e-26 3.915e-26 -25.310 -25.407 -0.098
HS- 3.148e-10 2.467e-10 -9.502 -9.608 -0.106 (0)
H2S 4.048e-11 4.118e-11 -10.393 -10.385 0.007 (0)
S-2 3.777e-15 1.561e-15 -14.423 -14.807 -0.384 (0)
Fe(HS)2 1.432e-18 1.457e-18 -17.844 -17.837 0.007 (0)
Fe(HS)3- 4.903e-26 3.915e-26 -25.310 -25.407 -0.098 (0)
S(6) 1.767e-02
SO4-2 1.191e-02 4.890e-03 -1.924 -2.311 -0.387
CaSO4 5.162e-03 5.251e-03 -2.287 -2.280 0.007
NaSO4- 5.997e-04 4.788e-04 -3.222 -3.320 -0.098
FeSO4 2.295e-08 2.335e-08 -7.639 -7.632 0.007
HSO4- 1.137e-08 9.075e-09 -7.944 -8.042 -0.098
CaHSO4+ 7.355e-10 5.872e-10 -9.133 -9.231 -0.098
FeHSO4+ 3.669e-15 2.930e-15 -14.435 -14.533 -0.098
FeSO4+ 4.683e-23 3.739e-23 -22.329 -22.427 -0.098
Fe(SO4)2- 5.010e-24 4.000e-24 -23.300 -23.398 -0.098
FeHSO4+2 4.703e-30 1.911e-30 -29.328 -29.719 -0.391
SO4-2 1.191e-02 4.890e-03 -1.924 -2.311 -0.387 13.98
CaSO4 5.162e-03 5.251e-03 -2.287 -2.280 0.007 (0)
NaSO4- 5.997e-04 4.788e-04 -3.222 -3.320 -0.098 (0)
FeSO4 2.295e-08 2.335e-08 -7.639 -7.632 0.007 (0)
HSO4- 1.137e-08 9.075e-09 -7.944 -8.042 -0.098 (0)
CaHSO4+ 7.355e-10 5.872e-10 -9.133 -9.231 -0.098 (0)
FeHSO4+ 3.669e-15 2.930e-15 -14.435 -14.533 -0.098 (0)
FeSO4+ 4.683e-23 3.739e-23 -22.329 -22.427 -0.098 (0)
Fe(SO4)2- 5.010e-24 4.000e-24 -23.300 -23.398 -0.098 (0)
FeHSO4+2 4.703e-30 1.911e-30 -29.328 -29.719 -0.391 (0)
------------------------------Saturation indices-------------------------------

1238
ex6.out
View File

File diff suppressed because it is too large Load Diff

1302
ex7.out
View File

File diff suppressed because it is too large Load Diff

48
ex7.sel
View File

@ -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

1048
ex8.out
View File

File diff suppressed because it is too large Load Diff

622
ex9.out
View File

@ -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
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
Fe_diCl+ 9.149e-07 8.242e-07 -6.039 -6.084 -0.045
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
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
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
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
NaOH 5.943e-10 5.957e-10 -9.226 -9.225 0.001
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
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
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
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
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
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_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
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
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
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
NaOH 6.631e-11 6.647e-11 -10.178 -10.177 0.001
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
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
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
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
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
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_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
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
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
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
NaOH 3.834e-11 3.843e-11 -10.416 -10.415 0.001
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
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
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
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
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
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_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
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
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
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
NaOH 1.989e-11 1.994e-11 -10.701 -10.700 0.001
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
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
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
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
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
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_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
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
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
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
NaOH 1.261e-11 1.264e-11 -10.899 -10.898 0.001
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
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
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
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
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
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_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
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
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
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
NaOH 9.365e-12 9.387e-12 -11.029 -11.027 0.001
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
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
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
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
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
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_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
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
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
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
NaOH 7.063e-12 7.080e-12 -11.151 -11.150 0.001
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
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
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
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
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
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_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
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
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
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
NaOH 5.662e-12 5.676e-12 -11.247 -11.246 0.001
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
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
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
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
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
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_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
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
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
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
NaOH 4.550e-12 4.561e-12 -11.342 -11.341 0.001
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
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
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
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
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
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_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
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
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
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
NaOH 4.009e-12 4.019e-12 -11.397 -11.396 0.001
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
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
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
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
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
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_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
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
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
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
NaOH 3.667e-12 3.676e-12 -11.436 -11.435 0.001
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
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
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
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
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
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_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
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
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
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
NaOH 3.424e-12 3.432e-12 -11.465 -11.464 0.001
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
O2 2.733e-04 2.739e-04 -3.563 -3.562 0.001 (0)
------------------------------Saturation indices-------------------------------