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Darth Vader 2025-03-14 18:23:20 +00:00
commit 6136c88a50
11 changed files with 157 additions and 157 deletions
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8
phreeqc3-examples/ex1.out
View File

@ -160,7 +160,7 @@ C(4) 2.238e-03
MgCO3 9.523e-05 1.111e-04 -4.021 -3.954 0.067 -17.09
CO3-2 3.888e-05 8.103e-06 -4.410 -5.091 -0.681 -0.52
CaCO3 2.908e-05 3.393e-05 -4.536 -4.469 0.067 -14.60
CaHCO3+ 1.446e-05 1.001e-05 -4.840 -5.000 -0.160 122.92
CaHCO3+ 1.446e-05 1.001e-05 -4.840 -5.000 -0.160 9.96
CO2 1.299e-05 1.438e-05 -4.886 -4.842 0.044 34.43
KHCO3 2.969e-06 3.013e-06 -5.527 -5.521 0.006 41.03
UO2(CO3)3-4 1.259e-08 1.169e-10 -7.900 -9.932 -2.032 (0)
@ -175,7 +175,7 @@ Ca 1.066e-02
Ca+2 9.964e-03 2.493e-03 -2.002 -2.603 -0.602 -16.70
CaSO4 6.537e-04 7.628e-04 -3.185 -3.118 0.067 7.50
CaCO3 2.908e-05 3.393e-05 -4.536 -4.469 0.067 -14.60
CaHCO3+ 1.446e-05 1.001e-05 -4.840 -5.000 -0.160 122.92
CaHCO3+ 1.446e-05 1.001e-05 -4.840 -5.000 -0.160 9.96
CaOH+ 9.020e-08 6.732e-08 -7.045 -7.172 -0.127 (0)
CaHSO4+ 4.048e-11 3.021e-11 -10.393 -10.520 -0.127 (0)
Cl 5.657e-01
@ -241,7 +241,7 @@ Mn(3) 5.345e-26
N(-3) 1.724e-06
NH4+ 1.601e-06 9.008e-07 -5.796 -6.045 -0.250 18.48
NH3 7.301e-08 8.519e-08 -7.137 -7.070 0.067 24.42
NH4SO4- 4.978e-08 2.520e-08 -7.303 -7.599 -0.296 26.92
NH4SO4- 4.981e-08 2.526e-08 -7.303 -7.598 -0.295 26.92
N(5) 4.847e-06
NO3- 4.847e-06 2.847e-06 -5.314 -5.546 -0.231 30.29
Mn(NO3)2 1.349e-20 1.574e-20 -19.870 -19.803 0.067 41.04
@ -258,7 +258,7 @@ S(6) 2.926e-02
CaSO4 6.537e-04 7.628e-04 -3.185 -3.118 0.067 7.50
KSO4- 1.873e-04 1.696e-04 -3.728 -3.770 -0.043 11.34
Mg(SO4)2-2 1.296e-04 3.671e-05 -3.887 -4.435 -0.548 32.91
NH4SO4- 4.978e-08 2.520e-08 -7.303 -7.599 -0.296 26.92
NH4SO4- 4.981e-08 2.526e-08 -7.303 -7.598 -0.295 26.92
HSO4- 1.351e-09 1.008e-09 -8.869 -8.996 -0.127 40.96
MnSO4 1.279e-10 1.493e-10 -9.893 -9.826 0.067 22.54
CaHSO4+ 4.048e-11 3.021e-11 -10.393 -10.520 -0.127 (0)

14
phreeqc3-examples/ex10.out
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@ -123,7 +123,7 @@ Initial solution 1.
pe = 4.000
Specific Conductance (µS/cm, 25°C) = 701
Density (g/cm³) = 0.99755
Volume (L) = 1.00310
Volume (L) = 1.00309
Viscosity (mPa s) = 0.89463
Activity of water = 1.000
Ionic strength (mol/kgw) = 1.134e-02
@ -151,13 +151,13 @@ C(4) 7.864e-03
HCO3- 7.466e-03 6.720e-03 -2.127 -2.173 -0.046 24.65
CO2 1.643e-04 1.645e-04 -3.784 -3.784 0.001 34.43
CaCO3 1.191e-04 1.194e-04 -3.924 -3.923 0.001 -14.60
CaHCO3+ 7.058e-05 6.365e-05 -4.151 -4.196 -0.045 122.69
CaHCO3+ 7.058e-05 6.365e-05 -4.151 -4.196 -0.045 9.73
CO3-2 4.409e-05 2.895e-05 -4.356 -4.538 -0.183 -3.64
(CO2)2 4.956e-10 4.969e-10 -9.305 -9.304 0.001 68.87
Ca 3.932e-03
Ca+2 3.742e-03 2.455e-03 -2.427 -2.610 -0.183 -17.91
CaCO3 1.191e-04 1.194e-04 -3.924 -3.923 0.001 -14.60
CaHCO3+ 7.058e-05 6.365e-05 -4.151 -4.196 -0.045 122.69
CaHCO3+ 7.058e-05 6.365e-05 -4.151 -4.196 -0.045 9.73
CaOH+ 4.173e-08 3.742e-08 -7.380 -7.427 -0.047 (0)
H(0) 1.674e-27
H2 8.369e-28 8.391e-28 -27.077 -27.076 0.001 28.61
@ -208,8 +208,8 @@ CO2(g) -0.01 -1.48 -1.47 1.000e+01 9.961e+00 -3.875e-02
pH = 6.058 Charge balance
pe = 11.902 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 1684
Density (g/cm³) = 0.99860
Volume (L) = 1.00434
Density (g/cm³) = 0.99865
Volume (L) = 1.00430
Viscosity (mPa s) = 0.92188
Activity of water = 0.999
Ionic strength (mol/kgw) = 2.900e-02
@ -236,13 +236,13 @@ C(-4) 0.000e+00
C(4) 5.262e-02
CO2 3.273e-02 3.287e-02 -1.485 -1.483 0.002 34.43
HCO3- 1.946e-02 1.669e-02 -1.711 -1.778 -0.067 24.73
CaHCO3+ 3.858e-04 3.321e-04 -3.414 -3.479 -0.065 122.73
CaHCO3+ 3.858e-04 3.321e-04 -3.414 -3.479 -0.065 9.76
(CO2)2 1.970e-05 1.984e-05 -4.705 -4.703 0.003 68.87
CaCO3 7.698e-06 7.750e-06 -5.114 -5.111 0.003 -14.60
CO3-2 1.652e-06 8.940e-07 -5.782 -6.049 -0.267 -3.39
Ca 9.930e-03
Ca+2 9.536e-03 5.160e-03 -2.021 -2.287 -0.267 -17.74
CaHCO3+ 3.858e-04 3.321e-04 -3.414 -3.479 -0.065 122.73
CaHCO3+ 3.858e-04 3.321e-04 -3.414 -3.479 -0.065 9.76
CaCO3 7.698e-06 7.750e-06 -5.114 -5.111 0.003 -14.60
CaOH+ 1.148e-09 9.773e-10 -8.940 -9.010 -0.070 (0)
H(0) 1.692e-39

32
phreeqc3-examples/ex14.out
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@ -89,9 +89,9 @@ Initial solution 1. Brine
pH = 5.713
pe = 14.962 Equilibrium with O2(g)
Specific Conductance (µS/cm, 25°C) = 242995
Density (g/cm³) = 1.21629
Volume (L) = 1.13700
Specific Conductance (µS/cm, 25°C) = 243037
Density (g/cm³) = 1.21639
Volume (L) = 1.13690
Viscosity (mPa s) = 1.95446
Activity of water = 0.785
Ionic strength (mol/kgw) = 7.270e+00
@ -122,7 +122,7 @@ C(-4) 0.000e+00
CH4 0.000e+00 0.000e+00 -144.496 -143.769 0.727 35.46
C(4) 3.960e-03
MgHCO3+ 2.344e-03 1.167e-03 -2.630 -2.933 -0.303 6.01
CaHCO3+ 8.690e-04 5.263e-04 -3.061 -3.279 -0.218 123.05
CaHCO3+ 8.690e-04 5.263e-04 -3.061 -3.279 -0.218 10.08
CO2 3.518e-04 1.062e-03 -3.454 -2.974 0.480 34.43
HCO3- 3.309e-04 1.914e-04 -3.480 -3.718 -0.238 37.32
NaHCO3 6.284e-05 1.787e-03 -4.202 -2.748 1.454 31.73
@ -132,7 +132,7 @@ C(4) 3.960e-03
(CO2)2 3.882e-09 2.070e-08 -8.411 -7.684 0.727 68.87
Ca 4.655e-01
Ca+2 4.643e-01 7.129e-01 -0.333 -0.147 0.186 -13.79
CaHCO3+ 8.690e-04 5.263e-04 -3.061 -3.279 -0.218 123.05
CaHCO3+ 8.690e-04 5.263e-04 -3.061 -3.279 -0.218 10.08
CaSO4 3.227e-04 1.721e-03 -3.491 -2.764 0.727 7.50
CaCO3 1.041e-06 5.551e-06 -5.983 -5.256 0.727 -14.60
CaOH+ 8.717e-09 4.794e-08 -8.060 -7.319 0.740 (0)
@ -249,9 +249,9 @@ Dolomite 0.00 -17.08 -17.08 1.600e+00 1.597e+00 -3.272e-03
pH = 5.720 Charge balance
pe = 14.955 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 242932
Density (g/cm³) = 1.21626
Volume (L) = 1.13699
Specific Conductance (µS/cm, 25°C) = 242973
Density (g/cm³) = 1.21636
Volume (L) = 1.13689
Viscosity (mPa s) = 1.95495
Activity of water = 0.785
Ionic strength (mol/kgw) = 7.270e+00
@ -282,7 +282,7 @@ C(-4) 0.000e+00
CH4 0.000e+00 0.000e+00 -144.506 -143.780 0.727 35.46
C(4) 3.968e-03
MgHCO3+ 2.375e-03 1.183e-03 -2.624 -2.927 -0.303 6.01
CaHCO3+ 8.569e-04 5.189e-04 -3.067 -3.285 -0.218 123.05
CaHCO3+ 8.569e-04 5.189e-04 -3.067 -3.285 -0.218 10.08
CO2 3.437e-04 1.038e-03 -3.464 -2.984 0.480 34.43
HCO3- 3.286e-04 1.901e-04 -3.483 -3.721 -0.238 37.32
NaHCO3 6.240e-05 1.775e-03 -4.205 -2.751 1.454 31.73
@ -292,7 +292,7 @@ C(4) 3.968e-03
(CO2)2 3.706e-09 1.976e-08 -8.431 -7.704 0.727 68.87
Ca 4.622e-01
Ca+2 4.611e-01 7.079e-01 -0.336 -0.150 0.186 -13.79
CaHCO3+ 8.569e-04 5.189e-04 -3.067 -3.285 -0.218 123.05
CaHCO3+ 8.569e-04 5.189e-04 -3.067 -3.285 -0.218 10.08
CaSO4 3.205e-04 1.709e-03 -3.494 -2.767 0.727 7.50
CaCO3 1.043e-06 5.563e-06 -5.982 -5.255 0.727 -14.60
CaOH+ 8.798e-09 4.838e-08 -8.056 -7.315 0.740 (0)
@ -492,7 +492,7 @@ C(-4) 0.000e+00
C(4) 1.096e-05
CO2 1.076e-05 1.076e-05 -4.968 -4.968 0.000 34.43
HCO3- 1.975e-07 1.906e-07 -6.704 -6.720 -0.016 24.58
CaHCO3+ 1.228e-10 1.185e-10 -9.911 -9.926 -0.015 122.64
CaHCO3+ 1.228e-10 1.185e-10 -9.911 -9.926 -0.015 9.67
MgHCO3+ 6.872e-11 6.627e-11 -10.163 -10.179 -0.016 5.48
NaHCO3 1.957e-11 1.958e-11 -10.708 -10.708 0.000 31.73
(CO2)2 2.126e-12 2.127e-12 -11.672 -11.672 0.000 68.87
@ -503,7 +503,7 @@ Ca 1.916e-04
Ca+2 1.860e-04 1.612e-04 -3.731 -3.793 -0.062 -18.14
CaSO4 5.634e-06 5.635e-06 -5.249 -5.249 0.000 7.50
CaHSO4+ 9.648e-10 9.304e-10 -9.016 -9.031 -0.016 (0)
CaHCO3+ 1.228e-10 1.185e-10 -9.911 -9.926 -0.015 122.64
CaHCO3+ 1.228e-10 1.185e-10 -9.911 -9.926 -0.015 9.67
CaOH+ 1.104e-12 1.065e-12 -11.957 -11.973 -0.016 (0)
CaCO3 9.632e-14 9.634e-14 -13.016 -13.016 0.000 -14.60
Cl 1.337e-04
@ -627,7 +627,7 @@ C(4) 7.051e-03
HCO3- 5.875e-03 5.326e-03 -2.231 -2.274 -0.043 24.65
CO2 1.074e-03 1.076e-03 -2.969 -2.968 0.001 34.43
MgHCO3+ 6.178e-05 5.578e-05 -4.209 -4.254 -0.044 5.53
CaHCO3+ 2.695e-05 2.447e-05 -4.569 -4.611 -0.042 122.69
CaHCO3+ 2.695e-05 2.447e-05 -4.569 -4.611 -0.042 9.72
CaCO3 5.551e-06 5.563e-06 -5.256 -5.255 0.001 -14.60
CO3-2 4.119e-06 2.780e-06 -5.385 -5.556 -0.171 -3.67
MgCO3 2.369e-06 2.375e-06 -5.625 -5.624 0.001 -17.09
@ -635,7 +635,7 @@ C(4) 7.051e-03
(CO2)2 2.120e-08 2.125e-08 -7.674 -7.673 0.001 68.87
Ca 1.824e-03
Ca+2 1.766e-03 1.191e-03 -2.753 -2.924 -0.171 -17.93
CaHCO3+ 2.695e-05 2.447e-05 -4.569 -4.611 -0.042 122.69
CaHCO3+ 2.695e-05 2.447e-05 -4.569 -4.611 -0.042 9.72
CaSO4 2.566e-05 2.572e-05 -4.591 -4.590 0.001 7.50
CaCO3 5.551e-06 5.563e-06 -5.256 -5.255 0.001 -14.60
CaOH+ 2.435e-09 2.200e-09 -8.613 -8.658 -0.044 (0)
@ -1031,7 +1031,7 @@ C(4) 7.050e-03
HCO3- 5.873e-03 5.324e-03 -2.231 -2.274 -0.043 24.65
CO2 1.075e-03 1.077e-03 -2.969 -2.968 0.001 34.43
MgHCO3+ 6.263e-05 5.655e-05 -4.203 -4.248 -0.044 5.53
CaHCO3+ 2.664e-05 2.418e-05 -4.574 -4.616 -0.042 122.69
CaHCO3+ 2.664e-05 2.418e-05 -4.574 -4.616 -0.042 9.72
CaCO3 5.481e-06 5.493e-06 -5.261 -5.260 0.001 -14.60
CO3-2 4.113e-06 2.776e-06 -5.386 -5.557 -0.171 -3.67
MgCO3 2.400e-06 2.405e-06 -5.620 -5.619 0.001 -17.09
@ -1039,7 +1039,7 @@ C(4) 7.050e-03
(CO2)2 2.123e-08 2.128e-08 -7.673 -7.672 0.001 68.87
Ca 1.803e-03
Ca+2 1.746e-03 1.178e-03 -2.758 -2.929 -0.171 -17.93
CaHCO3+ 2.664e-05 2.418e-05 -4.574 -4.616 -0.042 122.69
CaHCO3+ 2.664e-05 2.418e-05 -4.574 -4.616 -0.042 9.72
CaSO4 2.536e-05 2.542e-05 -4.596 -4.595 0.001 7.50
CaCO3 5.481e-06 5.493e-06 -5.261 -5.260 0.001 -14.60
CaOH+ 2.405e-09 2.173e-09 -8.619 -8.663 -0.044 (0)

8
phreeqc3-examples/ex16.out
View File

@ -108,7 +108,7 @@ C(4) 7.828e-04
CO2 4.542e-04 4.543e-04 -3.343 -3.343 0.000 34.43
HCO3- 3.283e-04 3.202e-04 -3.484 -3.495 -0.011 24.57
MgHCO3+ 1.003e-07 9.784e-08 -6.999 -7.009 -0.011 5.47
CaHCO3+ 8.916e-08 8.698e-08 -7.050 -7.061 -0.011 122.63
CaHCO3+ 8.916e-08 8.698e-08 -7.050 -7.061 -0.011 9.66
NaHCO3 3.643e-08 3.643e-08 -7.439 -7.438 0.000 31.73
CO3-2 2.629e-08 2.380e-08 -7.580 -7.623 -0.043 -3.97
KHCO3 3.904e-09 3.904e-09 -8.408 -8.408 0.000 41.03
@ -118,7 +118,7 @@ C(4) 7.828e-04
Ca 7.800e-05
Ca+2 7.780e-05 7.042e-05 -4.109 -4.152 -0.043 -18.17
CaSO4 1.111e-07 1.111e-07 -6.954 -6.954 0.000 7.50
CaHCO3+ 8.916e-08 8.698e-08 -7.050 -7.061 -0.011 122.63
CaHCO3+ 8.916e-08 8.698e-08 -7.050 -7.061 -0.011 9.66
CaCO3 2.815e-09 2.815e-09 -8.550 -8.550 0.000 -14.60
CaOH+ 1.899e-11 1.852e-11 -10.721 -10.732 -0.011 (0)
CaHSO4+ 4.725e-13 4.608e-13 -12.326 -12.337 -0.011 (0)
@ -236,7 +236,7 @@ Initial solution 2.
C(4) 1.200e-03
HCO3- 8.924e-04 8.574e-04 -3.049 -3.067 -0.017 24.58
CO2 3.055e-04 3.055e-04 -3.515 -3.515 0.000 34.43
CaHCO3+ 7.574e-07 7.279e-07 -6.121 -6.138 -0.017 122.64
CaHCO3+ 7.574e-07 7.279e-07 -6.121 -6.138 -0.017 9.67
MgHCO3+ 6.241e-07 5.992e-07 -6.205 -6.222 -0.018 5.48
CO3-2 2.978e-07 2.537e-07 -6.526 -6.596 -0.070 -3.92
NaHCO3 1.855e-07 1.856e-07 -6.732 -6.731 0.000 31.73
@ -247,7 +247,7 @@ C(4) 1.200e-03
Ca 2.600e-04
Ca+2 2.584e-04 2.201e-04 -3.588 -3.657 -0.070 -18.13
CaSO4 7.926e-07 7.928e-07 -6.101 -6.101 0.000 7.50
CaHCO3+ 7.574e-07 7.279e-07 -6.121 -6.138 -0.017 122.64
CaHCO3+ 7.574e-07 7.279e-07 -6.121 -6.138 -0.017 9.67
CaCO3 9.377e-08 9.380e-08 -7.028 -7.028 0.000 -14.60
CaOH+ 2.400e-10 2.305e-10 -9.620 -9.637 -0.018 (0)
CaHSO4+ 8.602e-13 8.260e-13 -12.065 -12.083 -0.018 (0)

12
phreeqc3-examples/ex18.out
View File

@ -147,7 +147,7 @@ C(4) 4.300e-03
HCO3- 3.951e-03 3.642e-03 -2.403 -2.439 -0.035 22.89
CO2 2.987e-04 2.990e-04 -3.525 -3.524 0.000 33.66
MgHCO3+ 3.108e-05 2.857e-05 -4.508 -4.544 -0.037 4.93
CaHCO3+ 6.407e-06 5.913e-06 -5.193 -5.228 -0.035 121.93
CaHCO3+ 6.407e-06 5.913e-06 -5.193 -5.228 -0.035 8.96
CO3-2 5.802e-06 4.190e-06 -5.236 -5.378 -0.141 -6.10
CaCO3 4.848e-06 4.855e-06 -5.314 -5.314 0.001 -14.66
MgCO3 2.214e-06 2.217e-06 -5.655 -5.654 0.001 -17.07
@ -159,7 +159,7 @@ C(4) 4.300e-03
Ca 1.200e-03
Ca+2 1.176e-03 8.486e-04 -2.930 -3.071 -0.142 -18.31
CaSO4 1.298e-05 1.300e-05 -4.887 -4.886 0.001 6.78
CaHCO3+ 6.407e-06 5.913e-06 -5.193 -5.228 -0.035 121.93
CaHCO3+ 6.407e-06 5.913e-06 -5.193 -5.228 -0.035 8.96
CaCO3 4.848e-06 4.855e-06 -5.314 -5.314 0.001 -14.66
CaOH+ 5.433e-09 4.996e-09 -8.265 -8.301 -0.036 (0)
CaHSO4+ 2.170e-12 1.995e-12 -11.664 -11.700 -0.036 (0)
@ -257,8 +257,8 @@ Initial solution 2. Mysse
pH = 6.610
pe = 0.000
Specific Conductance (µS/cm, 63°C) = 10503
Density (g/cm³) = 0.98520
Volume (L) = 1.01942
Density (g/cm³) = 0.98523
Volume (L) = 1.01939
Viscosity (mPa s) = 0.45647
Activity of water = 0.999
Ionic strength (mol/kgw) = 7.101e-02
@ -289,7 +289,7 @@ Initial solution 2. Mysse
C(4) 6.870e-03
HCO3- 4.575e-03 3.644e-03 -2.340 -2.438 -0.099 25.86
CO2 1.746e-03 1.765e-03 -2.758 -2.753 0.005 36.36
CaHCO3+ 2.772e-04 2.226e-04 -3.557 -3.653 -0.095 123.62
CaHCO3+ 2.772e-04 2.226e-04 -3.557 -3.653 -0.095 10.66
NaHCO3 1.844e-04 1.905e-04 -3.734 -3.720 0.014 31.20
MgHCO3+ 6.093e-05 4.753e-05 -4.215 -4.323 -0.108 6.10
CaCO3 1.656e-05 1.683e-05 -4.781 -4.774 0.007 -14.51
@ -302,7 +302,7 @@ C(4) 6.870e-03
Ca 1.128e-02
Ca+2 7.821e-03 3.163e-03 -2.107 -2.500 -0.393 -17.58
CaSO4 3.165e-03 3.217e-03 -2.500 -2.492 0.007 8.42
CaHCO3+ 2.772e-04 2.226e-04 -3.557 -3.653 -0.095 123.62
CaHCO3+ 2.772e-04 2.226e-04 -3.557 -3.653 -0.095 10.66
CaCO3 1.656e-05 1.683e-05 -4.781 -4.774 0.007 -14.51
CaHSO4+ 1.307e-08 1.029e-08 -7.884 -7.988 -0.104 (0)
CaOH+ 2.712e-09 2.135e-09 -8.567 -8.671 -0.104 (0)

8
phreeqc3-examples/ex21.out
View File

@ -438,7 +438,7 @@ WARNING: USER_PUNCH: Headings count does not match number of calls to PUNCH.
pe = 13.120 Equilibrium with O2(g)
Specific Conductance (µS/cm, 23°C) = 29069
Density (g/cm³) = 1.01168
Volume (L) = 0.20147
Volume (L) = 0.20146
Viscosity (mPa s) = 0.96932
Activity of water = 0.990
Ionic strength (mol/kgw) = 3.633e-01
@ -465,7 +465,7 @@ C(4) 4.811e-04
NaHCO3 3.292e-05 3.892e-05 -4.483 -4.410 0.073 31.75
MgHCO3+ 2.266e-05 1.528e-05 -4.645 -4.816 -0.171 5.70
CO2 1.541e-05 1.628e-05 -4.812 -4.788 0.024 34.33
CaHCO3+ 9.133e-06 6.615e-06 -5.039 -5.179 -0.140 122.80
CaHCO3+ 9.133e-06 6.615e-06 -5.039 -5.179 -0.140 9.83
CaCO3 4.998e-06 5.434e-06 -5.301 -5.265 0.036 -14.61
MgCO3 2.008e-06 2.184e-06 -5.697 -5.661 0.036 -17.09
CO3-2 1.949e-06 4.981e-07 -5.710 -6.303 -0.593 -1.75
@ -476,7 +476,7 @@ C(4) 4.811e-04
Ca 2.580e-02
Ca+2 2.429e-02 6.749e-03 -1.615 -2.171 -0.556 -17.03
CaSO4 1.496e-03 1.626e-03 -2.825 -2.789 0.036 7.42
CaHCO3+ 9.133e-06 6.615e-06 -5.039 -5.179 -0.140 122.80
CaHCO3+ 9.133e-06 6.615e-06 -5.039 -5.179 -0.140 9.83
CaCO3 4.998e-06 5.434e-06 -5.301 -5.265 0.036 -14.61
CaOH+ 6.034e-08 4.414e-08 -7.219 -7.355 -0.136 (0)
CaHSO4+ 3.568e-10 2.610e-10 -9.448 -9.583 -0.136 (0)
@ -515,7 +515,7 @@ S(6) 1.410e-02
HSO4- 4.398e-09 3.217e-09 -8.357 -8.493 -0.136 40.64
CaHSO4+ 3.568e-10 2.610e-10 -9.448 -9.583 -0.136 (0)
Sr 5.050e-04
Sr+2 4.726e-04 1.312e-04 -3.325 -3.882 -0.557 -16.74
Sr+2 4.726e-04 1.312e-04 -3.325 -3.882 -0.557 -16.75
SrSO4 3.160e-05 3.436e-05 -4.500 -4.464 0.036 24.16
SrHCO3+ 7.330e-07 5.211e-07 -6.135 -6.283 -0.148 (0)
SrCO3 3.617e-08 3.932e-08 -7.442 -7.405 0.036 -14.14

24
phreeqc3-examples/ex3.out
View File

@ -148,13 +148,13 @@ C(-4) 1.394e-25
C(4) 3.576e-03
HCO3- 3.212e-03 2.987e-03 -2.493 -2.525 -0.032 24.62
CO2 3.400e-04 3.403e-04 -3.469 -3.468 0.000 34.43
CaHCO3+ 1.483e-05 1.380e-05 -4.829 -4.860 -0.031 122.67
CaHCO3+ 1.483e-05 1.380e-05 -4.829 -4.860 -0.031 9.70
CaCO3 5.557e-06 5.563e-06 -5.255 -5.255 0.000 -14.60
CO3-2 3.697e-06 2.765e-06 -5.432 -5.558 -0.126 -3.79
(CO2)2 2.123e-09 2.125e-09 -8.673 -8.673 0.000 68.87
Ca 1.623e-03
Ca+2 1.602e-03 1.198e-03 -2.795 -2.922 -0.126 -18.02
CaHCO3+ 1.483e-05 1.380e-05 -4.829 -4.860 -0.031 122.67
CaHCO3+ 1.483e-05 1.380e-05 -4.829 -4.860 -0.031 9.70
CaCO3 5.557e-06 5.563e-06 -5.255 -5.255 0.000 -14.60
CaOH+ 4.227e-09 3.923e-09 -8.374 -8.406 -0.032 (0)
H(0) 5.084e-15
@ -261,7 +261,7 @@ C(4) 2.238e-03
MgCO3 9.524e-05 1.111e-04 -4.021 -3.954 0.067 -17.09
CO3-2 3.889e-05 8.104e-06 -4.410 -5.091 -0.681 -0.52
CaCO3 2.908e-05 3.393e-05 -4.536 -4.469 0.067 -14.60
CaHCO3+ 1.446e-05 1.001e-05 -4.840 -5.000 -0.160 122.92
CaHCO3+ 1.446e-05 1.001e-05 -4.840 -5.000 -0.160 9.96
CO2 1.299e-05 1.438e-05 -4.886 -4.842 0.044 34.43
KHCO3 2.970e-06 3.013e-06 -5.527 -5.521 0.006 41.03
(CO2)2 3.254e-12 3.798e-12 -11.488 -11.420 0.067 68.87
@ -269,7 +269,7 @@ Ca 1.066e-02
Ca+2 9.964e-03 2.493e-03 -2.002 -2.603 -0.602 -16.70
CaSO4 6.537e-04 7.628e-04 -3.185 -3.118 0.067 7.50
CaCO3 2.908e-05 3.393e-05 -4.536 -4.469 0.067 -14.60
CaHCO3+ 1.446e-05 1.001e-05 -4.840 -5.000 -0.160 122.92
CaHCO3+ 1.446e-05 1.001e-05 -4.840 -5.000 -0.160 9.96
CaOH+ 9.020e-08 6.732e-08 -7.045 -7.172 -0.127 (0)
CaHSO4+ 4.048e-11 3.021e-11 -10.393 -10.520 -0.127 (0)
Cl 5.657e-01
@ -391,7 +391,7 @@ Mixture 1.
pH = 7.327 Charge balance
pe = 10.559 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 18310
Density (g/cm³) = 1.00526
Density (g/cm³) = 1.00527
Volume (L) = 1.00578
Viscosity (mPa s) = 0.91375
Activity of water = 0.994
@ -421,7 +421,7 @@ C(4) 3.175e-03
CO2 2.010e-04 2.074e-04 -3.697 -3.683 0.014 34.43
NaHCO3 1.640e-04 1.804e-04 -3.785 -3.744 0.041 31.73
MgHCO3+ 1.611e-04 1.153e-04 -3.793 -3.938 -0.145 5.72
CaHCO3+ 1.284e-05 9.686e-06 -4.892 -5.014 -0.122 122.85
CaHCO3+ 1.284e-05 9.686e-06 -4.892 -5.014 -0.122 9.88
MgCO3 8.919e-06 9.354e-06 -5.050 -5.029 0.021 -17.09
CO3-2 6.313e-06 1.935e-06 -5.200 -5.713 -0.514 -2.19
CaCO3 4.001e-06 4.196e-06 -5.398 -5.377 0.021 -14.60
@ -430,7 +430,7 @@ C(4) 3.175e-03
Ca 4.334e-03
Ca+2 4.054e-03 1.291e-03 -2.392 -2.889 -0.497 -17.20
CaSO4 2.639e-04 2.767e-04 -3.579 -3.558 0.021 7.50
CaHCO3+ 1.284e-05 9.686e-06 -4.892 -5.014 -0.122 122.85
CaHCO3+ 1.284e-05 9.686e-06 -4.892 -5.014 -0.122 9.88
CaCO3 4.001e-06 4.196e-06 -5.398 -5.377 0.021 -14.60
CaOH+ 6.063e-09 4.517e-09 -8.217 -8.345 -0.128 (0)
CaHSO4+ 1.151e-10 8.576e-11 -9.939 -10.067 -0.128 (0)
@ -566,7 +566,7 @@ Dolomite 0.00 -17.08 -17.08 1.000e+01 1.001e+01 7.786e-03
pe = 10.928 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 18478
Density (g/cm³) = 1.00533
Volume (L) = 1.00583
Volume (L) = 1.00582
Viscosity (mPa s) = 0.91253
Activity of water = 0.994
Ionic strength (mol/kgw) = 2.071e-01
@ -595,7 +595,7 @@ C(4) 3.016e-03
CO2 3.502e-04 3.614e-04 -3.456 -3.442 0.014 34.43
NaHCO3 1.500e-04 1.650e-04 -3.824 -3.782 0.041 31.73
MgHCO3+ 7.783e-05 5.571e-05 -4.109 -4.254 -0.145 5.72
CaHCO3+ 3.239e-05 2.444e-05 -4.490 -4.612 -0.122 122.85
CaHCO3+ 3.239e-05 2.444e-05 -4.490 -4.612 -0.122 9.88
CaCO3 5.304e-06 5.563e-06 -5.275 -5.255 0.021 -14.60
CO3-2 3.038e-06 9.308e-07 -5.517 -6.031 -0.514 -2.19
MgCO3 2.264e-06 2.375e-06 -5.645 -5.624 0.021 -17.09
@ -604,7 +604,7 @@ C(4) 3.016e-03
Ca 1.196e-02
Ca+2 1.118e-02 3.558e-03 -1.952 -2.449 -0.497 -17.20
CaSO4 7.475e-04 7.840e-04 -3.126 -3.106 0.021 7.50
CaHCO3+ 3.239e-05 2.444e-05 -4.490 -4.612 -0.122 122.85
CaHCO3+ 3.239e-05 2.444e-05 -4.490 -4.612 -0.122 9.88
CaCO3 5.304e-06 5.563e-06 -5.275 -5.255 0.021 -14.60
CaOH+ 8.781e-09 6.542e-09 -8.056 -8.184 -0.128 (0)
CaHSO4+ 6.206e-10 4.624e-10 -9.207 -9.335 -0.128 (0)
@ -767,7 +767,7 @@ C(4) 3.221e-03
NaHCO3 1.684e-04 1.852e-04 -3.774 -3.732 0.041 31.73
MgHCO3+ 1.653e-04 1.183e-04 -3.782 -3.927 -0.145 5.72
CO2 1.615e-04 1.666e-04 -3.792 -3.778 0.014 34.43
CaHCO3+ 1.332e-05 1.005e-05 -4.876 -4.998 -0.122 122.85
CaHCO3+ 1.332e-05 1.005e-05 -4.876 -4.998 -0.122 9.88
MgCO3 1.170e-05 1.227e-05 -4.932 -4.911 0.021 -17.09
CO3-2 8.287e-06 2.540e-06 -5.082 -5.595 -0.514 -2.19
CaCO3 5.304e-06 5.563e-06 -5.275 -5.255 0.021 -14.60
@ -776,7 +776,7 @@ C(4) 3.221e-03
Ca 4.380e-03
Ca+2 4.095e-03 1.304e-03 -2.388 -2.885 -0.497 -17.20
CaSO4 2.664e-04 2.794e-04 -3.574 -3.554 0.021 7.50
CaHCO3+ 1.332e-05 1.005e-05 -4.876 -4.998 -0.122 122.85
CaHCO3+ 1.332e-05 1.005e-05 -4.876 -4.998 -0.122 9.88
CaCO3 5.304e-06 5.563e-06 -5.275 -5.255 0.021 -14.60
CaOH+ 7.828e-09 5.832e-09 -8.106 -8.234 -0.128 (0)
CaHSO4+ 9.093e-11 6.775e-11 -10.041 -10.169 -0.128 (0)

24
phreeqc3-examples/ex4.out
View File

@ -103,7 +103,7 @@ Initial solution 1. Precipitation from Central Oklahoma
C(4) 1.091e-05
CO2 1.076e-05 1.076e-05 -4.968 -4.968 0.000 34.43
HCO3- 1.530e-07 1.513e-07 -6.815 -6.820 -0.005 24.56
CaHCO3+ 5.402e-12 5.344e-12 -11.267 -11.272 -0.005 122.62
CaHCO3+ 5.402e-12 5.344e-12 -11.267 -11.272 -0.005 9.65
MgHCO3+ 3.022e-12 2.989e-12 -11.520 -11.524 -0.005 5.46
(CO2)2 2.125e-12 2.125e-12 -11.673 -11.673 0.000 68.87
NaHCO3 7.995e-13 7.995e-13 -12.097 -12.097 0.000 31.73
@ -114,7 +114,7 @@ C(4) 1.091e-05
Ca 9.581e-06
Ca+2 9.560e-06 9.153e-06 -5.020 -5.038 -0.019 -18.22
CaSO4 2.098e-08 2.098e-08 -7.678 -7.678 0.000 7.50
CaHCO3+ 5.402e-12 5.344e-12 -11.267 -11.272 -0.005 122.62
CaHCO3+ 5.402e-12 5.344e-12 -11.267 -11.272 -0.005 9.65
CaHSO4+ 4.408e-12 4.361e-12 -11.356 -11.360 -0.005 (0)
CaOH+ 4.856e-14 4.804e-14 -13.314 -13.318 -0.005 (0)
CaCO3 3.451e-15 3.451e-15 -14.462 -14.462 0.000 -14.60
@ -136,7 +136,7 @@ Mg 1.769e-06
MgCO3 3.616e-16 3.616e-16 -15.442 -15.442 0.000 -17.09
N(-3) 1.485e-05
NH4+ 1.485e-05 1.468e-05 -4.828 -4.833 -0.005 17.87
NH4SO4- 3.111e-09 3.077e-09 -8.507 -8.512 -0.005 -14.54
NH4SO4- 3.118e-09 3.084e-09 -8.506 -8.511 -0.005 -14.54
NH3 2.646e-10 2.646e-10 -9.577 -9.577 0.000 24.42
N(5) 1.692e-05
NO3- 1.692e-05 1.674e-05 -4.772 -4.776 -0.005 29.47
@ -151,7 +151,7 @@ S(6) 1.353e-05
HSO4- 4.006e-08 3.963e-08 -7.397 -7.402 -0.005 40.26
CaSO4 2.098e-08 2.098e-08 -7.678 -7.678 0.000 7.50
MgSO4 5.696e-09 5.697e-09 -8.244 -8.244 0.000 -7.92
NH4SO4- 3.111e-09 3.077e-09 -8.507 -8.512 -0.005 -14.54
NH4SO4- 3.118e-09 3.084e-09 -8.506 -8.511 -0.005 -14.54
NaSO4- 1.286e-09 1.273e-09 -8.891 -8.895 -0.005 -24.48
KSO4- 1.805e-10 1.786e-10 -9.744 -9.748 -0.005 14.12
CaHSO4+ 4.408e-12 4.361e-12 -11.356 -11.360 -0.005 (0)
@ -253,7 +253,7 @@ C(4) 2.182e-04
CO2 2.180e-04 2.181e-04 -3.661 -3.661 0.000 34.43
HCO3- 1.425e-07 1.365e-07 -6.846 -6.865 -0.019 24.59
(CO2)2 8.728e-10 8.731e-10 -9.059 -9.059 0.000 68.87
CaHCO3+ 8.591e-11 8.233e-11 -10.066 -10.084 -0.019 122.64
CaHCO3+ 8.591e-11 8.233e-11 -10.066 -10.084 -0.019 9.68
MgHCO3+ 4.754e-11 4.551e-11 -10.323 -10.342 -0.019 5.48
NaHCO3 1.390e-11 1.391e-11 -10.857 -10.857 0.000 31.73
KHCO3 1.071e-12 1.071e-12 -11.970 -11.970 0.000 41.03
@ -264,7 +264,7 @@ Ca 1.916e-04
Ca+2 1.857e-04 1.564e-04 -3.731 -3.806 -0.075 -18.12
CaSO4 5.792e-06 5.795e-06 -5.237 -5.237 0.000 7.50
CaHSO4+ 2.828e-08 2.707e-08 -7.549 -7.568 -0.019 (0)
CaHCO3+ 8.591e-11 8.233e-11 -10.066 -10.084 -0.019 122.64
CaHCO3+ 8.591e-11 8.233e-11 -10.066 -10.084 -0.019 9.68
CaOH+ 3.814e-14 3.651e-14 -13.419 -13.438 -0.019 (0)
CaCO3 2.365e-15 2.366e-15 -14.626 -14.626 0.000 -14.60
Cl 1.331e-04
@ -285,7 +285,7 @@ Mg 3.536e-05
MgCO3 2.448e-16 2.449e-16 -15.611 -15.611 0.000 -17.09
N(-3) 0.000e+00
NH4+ 0.000e+00 0.000e+00 -48.437 -48.457 -0.019 17.90
NH4SO4- 0.000e+00 0.000e+00 -50.907 -50.927 -0.019 -5.79
NH4SO4- 0.000e+00 0.000e+00 -50.906 -50.926 -0.019 -5.79
NH3 0.000e+00 0.000e+00 -54.553 -54.553 0.000 24.42
N(0) 4.751e-04
N2 2.375e-04 2.376e-04 -3.624 -3.624 0.000 29.29
@ -313,7 +313,7 @@ S(6) 2.706e-04
KSO4- 5.808e-08 5.568e-08 -7.236 -7.254 -0.018 14.15
CaHSO4+ 2.828e-08 2.707e-08 -7.549 -7.568 -0.019 (0)
Mg(SO4)2-2 1.263e-09 1.067e-09 -8.899 -8.972 -0.073 -2.63
NH4SO4- 0.000e+00 0.000e+00 -50.907 -50.927 -0.019 -5.79
NH4SO4- 0.000e+00 0.000e+00 -50.906 -50.926 -0.019 -5.79
------------------------------Saturation indices-------------------------------
@ -423,7 +423,7 @@ C(4) 2.182e-04
CO2 2.180e-04 2.181e-04 -3.661 -3.661 0.000 34.43
HCO3- 1.425e-07 1.365e-07 -6.846 -6.865 -0.019 24.59
(CO2)2 8.728e-10 8.731e-10 -9.059 -9.059 0.000 68.87
CaHCO3+ 8.591e-11 8.233e-11 -10.066 -10.084 -0.019 122.64
CaHCO3+ 8.591e-11 8.233e-11 -10.066 -10.084 -0.019 9.68
MgHCO3+ 4.754e-11 4.551e-11 -10.323 -10.342 -0.019 5.48
NaHCO3 1.390e-11 1.391e-11 -10.857 -10.857 0.000 31.73
KHCO3 1.071e-12 1.071e-12 -11.970 -11.970 0.000 41.03
@ -434,7 +434,7 @@ Ca 1.916e-04
Ca+2 1.857e-04 1.564e-04 -3.731 -3.806 -0.075 -18.12
CaSO4 5.792e-06 5.795e-06 -5.237 -5.237 0.000 7.50
CaHSO4+ 2.828e-08 2.707e-08 -7.549 -7.568 -0.019 (0)
CaHCO3+ 8.591e-11 8.233e-11 -10.066 -10.084 -0.019 122.64
CaHCO3+ 8.591e-11 8.233e-11 -10.066 -10.084 -0.019 9.68
CaOH+ 3.814e-14 3.651e-14 -13.419 -13.438 -0.019 (0)
CaCO3 2.365e-15 2.366e-15 -14.626 -14.626 0.000 -14.60
Cl 1.331e-04
@ -455,7 +455,7 @@ Mg 3.536e-05
MgCO3 2.448e-16 2.449e-16 -15.611 -15.611 0.000 -17.09
N(-3) 0.000e+00
NH4+ 0.000e+00 0.000e+00 -48.437 -48.457 -0.019 17.90
NH4SO4- 0.000e+00 0.000e+00 -50.907 -50.927 -0.019 -5.79
NH4SO4- 0.000e+00 0.000e+00 -50.906 -50.926 -0.019 -5.79
NH3 0.000e+00 0.000e+00 -54.553 -54.553 0.000 24.42
N(0) 4.751e-04
N2 2.375e-04 2.376e-04 -3.624 -3.624 0.000 29.29
@ -483,7 +483,7 @@ S(6) 2.706e-04
KSO4- 5.808e-08 5.568e-08 -7.236 -7.254 -0.018 14.15
CaHSO4+ 2.828e-08 2.707e-08 -7.549 -7.568 -0.019 (0)
Mg(SO4)2-2 1.263e-09 1.067e-09 -8.899 -8.972 -0.073 -2.63
NH4SO4- 0.000e+00 0.000e+00 -50.907 -50.927 -0.019 -5.79
NH4SO4- 0.000e+00 0.000e+00 -50.906 -50.926 -0.019 -5.79
------------------------------Saturation indices-------------------------------

24
phreeqc3-examples/ex5.out
View File

@ -194,14 +194,14 @@ C(4) 9.756e-04
CO2 1.076e-05 1.076e-05 -4.968 -4.968 0.000 34.43
CO3-2 9.583e-06 8.099e-06 -5.019 -5.092 -0.073 -3.91
CaCO3 5.561e-06 5.563e-06 -5.255 -5.255 0.000 -14.60
CaHCO3+ 1.495e-06 1.434e-06 -5.825 -5.843 -0.018 122.64
CaHCO3+ 1.495e-06 1.434e-06 -5.825 -5.843 -0.018 9.67
FeCO3 2.597e-09 2.598e-09 -8.585 -8.585 0.000 (0)
FeHCO3+ 1.269e-09 1.216e-09 -8.897 -8.915 -0.019 (0)
(CO2)2 2.125e-12 2.125e-12 -11.673 -11.673 0.000 68.87
Ca 4.910e-04
Ca+2 4.840e-04 4.089e-04 -3.315 -3.388 -0.073 -18.12
CaCO3 5.561e-06 5.563e-06 -5.255 -5.255 0.000 -14.60
CaHCO3+ 1.495e-06 1.434e-06 -5.825 -5.843 -0.018 122.64
CaHCO3+ 1.495e-06 1.434e-06 -5.825 -5.843 -0.018 9.67
CaOH+ 1.345e-08 1.289e-08 -7.871 -7.890 -0.019 (0)
CaSO4 3.487e-09 3.488e-09 -8.458 -8.457 0.000 7.50
CaHSO4+ 1.260e-16 1.207e-16 -15.900 -15.918 -0.019 (0)
@ -355,7 +355,7 @@ C(4) 7.789e-04
CO2 1.075e-05 1.076e-05 -4.968 -4.968 0.000 34.43
CO3-2 6.329e-06 4.905e-06 -5.199 -5.309 -0.111 -3.82
CaCO3 5.559e-06 5.563e-06 -5.255 -5.255 0.000 -14.60
CaHCO3+ 1.962e-06 1.842e-06 -5.707 -5.735 -0.027 122.66
CaHCO3+ 1.962e-06 1.842e-06 -5.707 -5.735 -0.027 9.69
NaHCO3 2.864e-07 2.869e-07 -6.543 -6.542 0.001 31.73
FeCO3 7.348e-10 7.354e-10 -9.134 -9.133 0.000 (0)
FeHCO3+ 4.720e-10 4.422e-10 -9.326 -9.354 -0.028 (0)
@ -364,7 +364,7 @@ Ca 9.242e-04
Ca+2 8.716e-04 6.752e-04 -3.060 -3.171 -0.111 -18.05
CaSO4 4.502e-05 4.506e-05 -4.347 -4.346 0.000 7.50
CaCO3 5.559e-06 5.563e-06 -5.255 -5.255 0.000 -14.60
CaHCO3+ 1.962e-06 1.842e-06 -5.707 -5.735 -0.027 122.66
CaHCO3+ 1.962e-06 1.842e-06 -5.707 -5.735 -0.027 9.69
CaOH+ 1.768e-08 1.656e-08 -7.753 -7.781 -0.028 (0)
CaHSO4+ 2.139e-12 2.003e-12 -11.670 -11.698 -0.028 (0)
Cl 5.000e-04
@ -535,7 +535,7 @@ C(4) 5.312e-04
HCO3- 5.077e-04 4.556e-04 -3.294 -3.341 -0.047 24.66
CO2 1.074e-05 1.076e-05 -4.969 -4.968 0.001 34.43
CaCO3 5.548e-06 5.563e-06 -5.256 -5.255 0.001 -14.60
CaHCO3+ 3.182e-06 2.861e-06 -5.497 -5.543 -0.046 122.70
CaHCO3+ 3.182e-06 2.861e-06 -5.497 -5.543 -0.046 9.73
CO3-2 3.139e-06 2.034e-06 -5.503 -5.692 -0.188 -3.63
NaHCO3 8.629e-07 8.678e-07 -6.064 -6.062 0.002 31.73
FeHCO3+ 5.724e-10 5.115e-10 -9.242 -9.291 -0.049 (0)
@ -545,7 +545,7 @@ Ca 2.932e-03
Ca+2 2.514e-03 1.628e-03 -2.600 -2.788 -0.189 -17.90
CaSO4 4.092e-04 4.104e-04 -3.388 -3.387 0.001 7.50
CaCO3 5.548e-06 5.563e-06 -5.256 -5.255 0.001 -14.60
CaHCO3+ 3.182e-06 2.861e-06 -5.497 -5.543 -0.046 122.70
CaHCO3+ 3.182e-06 2.861e-06 -5.497 -5.543 -0.046 9.73
CaOH+ 2.878e-08 2.572e-08 -7.541 -7.590 -0.049 (0)
CaHSO4+ 3.171e-11 2.833e-11 -10.499 -10.548 -0.049 (0)
Cl 2.500e-03
@ -716,7 +716,7 @@ C(4) 4.402e-04
HCO3- 4.163e-04 3.623e-04 -3.381 -3.441 -0.060 24.70
CO2 1.072e-05 1.076e-05 -4.970 -4.968 0.001 34.43
CaCO3 5.535e-06 5.563e-06 -5.257 -5.255 0.002 -14.60
CaHCO3+ 4.119e-06 3.596e-06 -5.385 -5.444 -0.059 122.72
CaHCO3+ 4.119e-06 3.596e-06 -5.385 -5.444 -0.059 9.75
CO3-2 2.242e-06 1.287e-06 -5.649 -5.890 -0.241 -3.47
NaHCO3 1.305e-06 1.319e-06 -5.884 -5.880 0.004 31.73
FeHCO3+ 6.547e-10 5.664e-10 -9.184 -9.247 -0.063 (0)
@ -726,7 +726,7 @@ Ca 5.553e-03
Ca+2 4.485e-03 2.573e-03 -2.348 -2.590 -0.241 -17.79
CaSO4 1.058e-03 1.064e-03 -2.975 -2.973 0.002 7.50
CaCO3 5.535e-06 5.563e-06 -5.257 -5.255 0.002 -14.60
CaHCO3+ 4.119e-06 3.596e-06 -5.385 -5.444 -0.059 122.72
CaHCO3+ 4.119e-06 3.596e-06 -5.385 -5.444 -0.059 9.75
CaOH+ 3.737e-08 3.233e-08 -7.427 -7.490 -0.063 (0)
CaHSO4+ 1.067e-10 9.230e-11 -9.972 -10.035 -0.063 (0)
Cl 5.000e-03
@ -896,7 +896,7 @@ C(-4) 1.646e-14
C(4) 3.341e-04
HCO3- 3.078e-04 2.519e-04 -3.512 -3.599 -0.087 24.82
CO2 1.066e-05 1.076e-05 -4.972 -4.968 0.004 34.43
CaHCO3+ 6.277e-06 5.170e-06 -5.202 -5.286 -0.084 122.77
CaHCO3+ 6.277e-06 5.170e-06 -5.202 -5.286 -0.084 9.80
CaCO3 5.487e-06 5.563e-06 -5.261 -5.255 0.006 -14.60
NaHCO3 2.424e-06 2.492e-06 -5.615 -5.603 0.012 31.73
CO3-2 1.388e-06 6.223e-07 -5.858 -6.206 -0.348 -3.08
@ -906,7 +906,7 @@ C(4) 3.341e-04
Ca 1.617e-02
Ca+2 1.182e-02 5.322e-03 -1.927 -2.274 -0.347 -17.57
CaSO4 4.337e-03 4.397e-03 -2.363 -2.357 0.006 7.50
CaHCO3+ 6.277e-06 5.170e-06 -5.202 -5.286 -0.084 122.77
CaHCO3+ 6.277e-06 5.170e-06 -5.202 -5.286 -0.084 9.80
CaCO3 5.487e-06 5.563e-06 -5.261 -5.255 0.006 -14.60
CaOH+ 5.734e-08 4.648e-08 -7.242 -7.333 -0.091 (0)
CaHSO4+ 6.768e-10 5.486e-10 -9.170 -9.261 -0.091 (0)
@ -1077,7 +1077,7 @@ C(-4) 1.539e-14
C(4) 3.317e-04
HCO3- 3.038e-04 2.448e-04 -3.517 -3.611 -0.094 24.86
CO2 1.064e-05 1.076e-05 -4.973 -4.968 0.005 34.43
CaHCO3+ 6.550e-06 5.318e-06 -5.184 -5.274 -0.090 122.78
CaHCO3+ 6.550e-06 5.318e-06 -5.184 -5.274 -0.090 9.81
CaCO3 5.469e-06 5.563e-06 -5.262 -5.255 0.007 -14.60
NaHCO3 3.843e-06 3.977e-06 -5.415 -5.400 0.015 31.73
CO3-2 1.394e-06 5.880e-07 -5.856 -6.231 -0.375 -2.97
@ -1087,7 +1087,7 @@ C(4) 3.317e-04
Ca 1.786e-02
Ca+2 1.327e-02 5.632e-03 -1.877 -2.249 -0.372 -17.52
CaSO4 4.585e-03 4.664e-03 -2.339 -2.331 0.007 7.50
CaHCO3+ 6.550e-06 5.318e-06 -5.184 -5.274 -0.090 122.78
CaHCO3+ 6.550e-06 5.318e-06 -5.184 -5.274 -0.090 9.81
CaCO3 5.469e-06 5.563e-06 -5.262 -5.255 0.007 -14.60
CaOH+ 5.990e-08 4.781e-08 -7.223 -7.320 -0.098 (0)
CaHSO4+ 7.500e-10 5.986e-10 -9.125 -9.223 -0.098 (0)

158
phreeqc3-examples/ex7.out
View File

@ -172,13 +172,13 @@ C(-4) 4.428e-25
C(4) 5.972e-03
HCO3- 4.857e-03 4.452e-03 -2.314 -2.351 -0.038 24.63
CO2 1.075e-03 1.076e-03 -2.969 -2.968 0.000 34.43
CaHCO3+ 3.189e-05 2.927e-05 -4.496 -4.534 -0.037 122.68
CaHCO3+ 3.189e-05 2.927e-05 -4.496 -4.534 -0.037 9.71
CaCO3 5.554e-06 5.563e-06 -5.255 -5.255 0.001 -14.60
CO3-2 2.752e-06 1.943e-06 -5.560 -5.711 -0.151 -3.73
(CO2)2 2.121e-08 2.125e-08 -7.673 -7.673 0.001 68.87
Ca 2.453e-03
Ca+2 2.415e-03 1.704e-03 -2.617 -2.768 -0.151 -17.97
CaHCO3+ 3.189e-05 2.927e-05 -4.496 -4.534 -0.037 122.68
CaHCO3+ 3.189e-05 2.927e-05 -4.496 -4.534 -0.037 9.71
CaCO3 5.554e-06 5.563e-06 -5.255 -5.255 0.001 -14.60
CaOH+ 2.879e-09 2.632e-09 -8.541 -8.580 -0.039 (0)
H(0) 5.087e-15
@ -296,8 +296,8 @@ Reaction 1.
pH = 6.829 Charge balance
pe = -3.721 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 459
Density (g/cm³) = 0.99737
Volume (L) = 1.00307
Density (g/cm³) = 0.99738
Volume (L) = 1.00306
Viscosity (mPa s) = 0.89504
Activity of water = 1.000
Ionic strength (mol/kgw) = 7.354e-03
@ -325,14 +325,14 @@ C(-4) 5.001e-04
C(4) 6.472e-03
HCO3- 4.931e-03 4.518e-03 -2.307 -2.345 -0.038 24.63
CO2 1.503e-03 1.504e-03 -2.823 -2.823 0.000 34.43
CaHCO3+ 3.232e-05 2.966e-05 -4.490 -4.528 -0.037 122.68
CaCO3 4.086e-06 4.093e-06 -5.389 -5.388 0.001 -14.60
CaHCO3+ 3.234e-05 2.967e-05 -4.490 -4.528 -0.037 9.71
CaCO3 4.086e-06 4.092e-06 -5.389 -5.388 0.001 -14.60
CO3-2 2.030e-06 1.431e-06 -5.692 -5.844 -0.152 -3.72
(CO2)2 4.147e-08 4.154e-08 -7.382 -7.382 0.001 68.87
Ca 2.453e-03
Ca+2 2.417e-03 1.702e-03 -2.617 -2.769 -0.152 -17.97
CaHCO3+ 3.232e-05 2.966e-05 -4.490 -4.528 -0.037 122.68
CaCO3 4.086e-06 4.093e-06 -5.389 -5.388 0.001 -14.60
Ca+2 2.416e-03 1.702e-03 -2.617 -2.769 -0.152 -17.97
CaHCO3+ 3.234e-05 2.967e-05 -4.490 -4.528 -0.037 9.71
CaCO3 4.086e-06 4.092e-06 -5.389 -5.388 0.001 -14.60
CaOH+ 2.088e-09 1.908e-09 -8.680 -8.720 -0.039 (0)
H(0) 8.575e-10
H2 4.288e-10 4.295e-10 -9.368 -9.367 0.001 28.61
@ -431,20 +431,20 @@ C(-4) 1.000e-03
C(4) 6.972e-03
HCO3- 5.003e-03 4.582e-03 -2.301 -2.339 -0.038 24.63
CO2 1.932e-03 1.934e-03 -2.714 -2.714 0.000 34.43
CaHCO3+ 3.275e-05 3.004e-05 -4.485 -4.522 -0.038 122.68
CaHCO3+ 3.277e-05 3.005e-05 -4.485 -4.522 -0.038 9.71
CaCO3 3.265e-06 3.271e-06 -5.486 -5.485 0.001 -14.60
CO3-2 1.627e-06 1.145e-06 -5.789 -5.941 -0.152 -3.72
(CO2)2 6.852e-08 6.864e-08 -7.164 -7.163 0.001 68.87
Ca 2.453e-03
Ca+2 2.417e-03 1.700e-03 -2.617 -2.770 -0.153 -17.97
CaHCO3+ 3.275e-05 3.004e-05 -4.485 -4.522 -0.038 122.68
CaHCO3+ 3.277e-05 3.005e-05 -4.485 -4.522 -0.038 9.71
CaCO3 3.265e-06 3.271e-06 -5.486 -5.485 0.001 -14.60
CaOH+ 1.646e-09 1.503e-09 -8.784 -8.823 -0.039 (0)
H(0) 9.577e-10
H2 4.789e-10 4.797e-10 -9.320 -9.319 0.001 28.61
N(-3) 1.398e-04
NH4+ 1.394e-04 1.268e-04 -3.856 -3.897 -0.041 (0)
NH3 3.844e-07 3.850e-07 -6.415 -6.414 0.001 (0)
NH3 3.844e-07 3.850e-07 -6.415 -6.415 0.001 (0)
N(0) 2.470e-07
N2 1.235e-07 1.237e-07 -6.908 -6.908 0.001 29.29
N(3) 0.000e+00
@ -520,7 +520,7 @@ Reaction 1.
Pressure (atm) = 1.10
Electrical balance (eq) = -1.216e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 15
Iterations = 16
Total H = 1.110191e+02
Total O = 5.552361e+01
@ -537,13 +537,13 @@ C(-4) 1.500e-03
C(4) 7.472e-03
HCO3- 5.074e-03 4.646e-03 -2.295 -2.333 -0.038 24.63
CO2 2.361e-03 2.364e-03 -2.627 -2.626 0.000 34.43
CaHCO3+ 3.317e-05 3.041e-05 -4.479 -4.517 -0.038 122.68
CaHCO3+ 3.318e-05 3.042e-05 -4.479 -4.517 -0.038 9.71
CaCO3 2.742e-06 2.747e-06 -5.562 -5.561 0.001 -14.60
CO3-2 1.370e-06 9.631e-07 -5.863 -6.016 -0.153 -3.72
(CO2)2 1.024e-07 1.025e-07 -6.990 -6.989 0.001 68.87
Ca 2.453e-03
Ca+2 2.417e-03 1.698e-03 -2.617 -2.770 -0.153 -17.97
CaHCO3+ 3.317e-05 3.041e-05 -4.479 -4.517 -0.038 122.68
CaHCO3+ 3.318e-05 3.042e-05 -4.479 -4.517 -0.038 9.71
CaCO3 2.742e-06 2.747e-06 -5.562 -5.561 0.001 -14.60
CaOH+ 1.364e-09 1.245e-09 -8.865 -8.905 -0.039 (0)
H(0) 1.008e-09
@ -657,13 +657,13 @@ C(-4) 1.550e-03
C(4) 7.935e-03
HCO3- 5.144e-03 4.708e-03 -2.289 -2.327 -0.038 24.63
CO2 2.753e-03 2.757e-03 -2.560 -2.560 0.000 34.43
CaHCO3+ 3.358e-05 3.077e-05 -4.474 -4.512 -0.038 122.68
CaHCO3+ 3.359e-05 3.079e-05 -4.474 -4.512 -0.038 9.71
CaCO3 2.411e-06 2.415e-06 -5.618 -5.617 0.001 -14.60
CO3-2 1.208e-06 8.481e-07 -5.918 -6.072 -0.154 -3.72
(CO2)2 1.392e-07 1.395e-07 -6.856 -6.855 0.001 68.87
Ca 2.453e-03
Ca+2 2.417e-03 1.695e-03 -2.617 -2.771 -0.154 -17.96
CaHCO3+ 3.358e-05 3.077e-05 -4.474 -4.512 -0.038 122.68
CaHCO3+ 3.359e-05 3.079e-05 -4.474 -4.512 -0.038 9.71
CaCO3 2.411e-06 2.415e-06 -5.618 -5.617 0.001 -14.60
CaOH+ 1.184e-09 1.080e-09 -8.927 -8.966 -0.040 (0)
H(0) 9.779e-10
@ -749,7 +749,7 @@ N2(g) -3.02 9.612e-04 1.000 0.000e+00 2.567e-06 2.567e-06
pe = -3.320 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 477
Density (g/cm³) = 0.99741
Volume (L) = 1.00320
Volume (L) = 1.00319
Viscosity (mPa s) = 0.89735
Activity of water = 1.000
Ionic strength (mol/kgw) = 7.837e-03
@ -777,13 +777,13 @@ C(-4) 1.483e-03
C(4) 9.640e-03
HCO3- 5.419e-03 4.953e-03 -2.266 -2.305 -0.039 24.64
CO2 4.182e-03 4.187e-03 -2.379 -2.378 0.001 34.43
CaHCO3+ 3.516e-05 3.219e-05 -4.454 -4.492 -0.038 122.68
CaHCO3+ 3.518e-05 3.220e-05 -4.454 -4.492 -0.038 9.71
CaCO3 1.746e-06 1.749e-06 -5.758 -5.757 0.001 -14.60
CO3-2 8.851e-07 6.179e-07 -6.053 -6.209 -0.156 -3.71
(CO2)2 3.213e-07 3.218e-07 -6.493 -6.492 0.001 68.87
Ca 2.453e-03
Ca+2 2.416e-03 1.685e-03 -2.617 -2.773 -0.156 -17.96
CaHCO3+ 3.516e-05 3.219e-05 -4.454 -4.492 -0.038 122.68
CaHCO3+ 3.518e-05 3.220e-05 -4.454 -4.492 -0.038 9.71
CaCO3 1.746e-06 1.749e-06 -5.758 -5.757 0.001 -14.60
CaOH+ 8.161e-10 7.438e-10 -9.088 -9.129 -0.040 (0)
H(0) 8.711e-10
@ -880,7 +880,7 @@ N2(g) -2.58 2.636e-03 1.000 0.000e+00 2.006e-05 2.006e-05
Pressure (atm) = 1.10
Electrical balance (eq) = -1.216e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 22
Iterations = 23
Total H = 1.110207e+02
Total O = 5.553344e+01
@ -897,13 +897,13 @@ C(-4) 1.372e-03
C(4) 1.249e-02
CO2 6.509e-03 6.517e-03 -2.187 -2.186 0.001 34.43
HCO3- 5.940e-03 5.416e-03 -2.226 -2.266 -0.040 24.64
CaHCO3+ 3.812e-05 3.480e-05 -4.419 -4.458 -0.040 122.68
CaHCO3+ 3.813e-05 3.482e-05 -4.419 -4.458 -0.040 9.72
CaCO3 1.327e-06 1.329e-06 -5.877 -5.876 0.001 -14.60
(CO2)2 7.781e-07 7.796e-07 -6.109 -6.108 0.001 68.87
CO3-2 6.869e-07 4.747e-07 -6.163 -6.324 -0.160 -3.70
CO3-2 6.868e-07 4.747e-07 -6.163 -6.324 -0.160 -3.70
Ca 2.453e-03
Ca+2 2.414e-03 1.667e-03 -2.617 -2.778 -0.161 -17.95
CaHCO3+ 3.812e-05 3.480e-05 -4.419 -4.458 -0.040 122.68
CaHCO3+ 3.813e-05 3.482e-05 -4.419 -4.458 -0.040 9.72
CaCO3 1.327e-06 1.329e-06 -5.877 -5.876 0.001 -14.60
CaOH+ 5.685e-10 5.168e-10 -9.245 -9.287 -0.041 (0)
H(0) 7.648e-10
@ -989,7 +989,7 @@ N2(g) -2.13 7.467e-03 1.000 0.000e+00 1.430e-04 1.430e-04
pe = -3.000 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 530
Density (g/cm³) = 0.99754
Volume (L) = 1.00338
Volume (L) = 1.00337
Viscosity (mPa s) = 0.90075
Activity of water = 1.000
Ionic strength (mol/kgw) = 9.214e-03
@ -1009,7 +1009,7 @@ N2(g) -2.13 7.467e-03 1.000 0.000e+00 1.430e-04 1.430e-04
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
H+ 7.537e-07 6.903e-07 -6.123 -6.161 -0.038 0.00
H+ 7.537e-07 6.904e-07 -6.123 -6.161 -0.038 0.00
OH- 1.622e-08 1.466e-08 -7.790 -7.834 -0.044 -4.04
H2O 5.551e+01 9.996e-01 1.744 -0.000 0.000 18.07
C(-4) 1.221e-03
@ -1017,13 +1017,13 @@ C(-4) 1.221e-03
C(4) 1.643e-02
CO2 9.579e-03 9.592e-03 -2.019 -2.018 0.001 34.43
HCO3- 6.803e-03 6.178e-03 -2.167 -2.209 -0.042 24.64
CaHCO3+ 4.289e-05 3.901e-05 -4.368 -4.409 -0.041 122.69
CaHCO3+ 4.291e-05 3.902e-05 -4.367 -4.409 -0.041 9.72
(CO2)2 1.685e-06 1.689e-06 -5.773 -5.772 0.001 68.87
CaCO3 1.152e-06 1.155e-06 -5.938 -5.938 0.001 -14.60
CO3-2 6.171e-07 4.198e-07 -6.210 -6.377 -0.167 -3.68
Ca 2.453e-03
Ca+2 2.409e-03 1.638e-03 -2.618 -2.786 -0.168 -17.94
CaHCO3+ 4.289e-05 3.901e-05 -4.368 -4.409 -0.041 122.69
CaHCO3+ 4.291e-05 3.902e-05 -4.367 -4.409 -0.041 9.72
CaCO3 1.152e-06 1.155e-06 -5.938 -5.938 0.001 -14.60
CaOH+ 4.347e-10 3.935e-10 -9.362 -9.405 -0.043 (0)
H(0) 6.743e-10
@ -1093,7 +1093,7 @@ Component log P P phi Initial Final Delta
CH4(g) -0.17 6.819e-01 0.998 0.000e+00 3.152e-02 3.152e-02
CO2(g) -0.43 3.697e-01 0.994 0.000e+00 1.709e-02 1.709e-02
H2O(g) -1.50 3.162e-02 0.993 0.000e+00 1.462e-03 1.462e-03
N2(g) -1.77 1.683e-02 1.000 0.000e+00 7.780e-04 7.780e-04
N2(g) -1.77 1.683e-02 1.000 0.000e+00 7.779e-04 7.779e-04
-----------------------------Solution composition------------------------------
@ -1137,14 +1137,14 @@ C(-4) 1.071e-03
C(4) 2.029e-02
CO2 1.248e-02 1.250e-02 -1.904 -1.903 0.001 34.43
HCO3- 7.756e-03 7.015e-03 -2.110 -2.154 -0.044 24.65
CaHCO3+ 4.799e-05 4.348e-05 -4.319 -4.362 -0.043 122.69
CaHCO3+ 4.801e-05 4.350e-05 -4.319 -4.362 -0.043 9.72
(CO2)2 2.862e-06 2.869e-06 -5.543 -5.542 0.001 68.87
CaCO3 1.119e-06 1.121e-06 -5.951 -5.950 0.001 -14.60
CaCO3 1.118e-06 1.121e-06 -5.951 -5.950 0.001 -14.60
CO3-2 6.204e-07 4.152e-07 -6.207 -6.382 -0.174 -3.66
Ca 2.453e-03
Ca+2 2.404e-03 1.608e-03 -2.619 -2.794 -0.175 -17.92
CaHCO3+ 4.799e-05 4.348e-05 -4.319 -4.362 -0.043 122.69
CaCO3 1.119e-06 1.121e-06 -5.951 -5.950 0.001 -14.60
CaHCO3+ 4.801e-05 4.350e-05 -4.319 -4.362 -0.043 9.72
CaCO3 1.118e-06 1.121e-06 -5.951 -5.950 0.001 -14.60
CaOH+ 3.734e-10 3.365e-10 -9.428 -9.473 -0.045 (0)
H(0) 6.106e-10
H2 3.053e-10 3.060e-10 -9.515 -9.514 0.001 28.61
@ -1228,7 +1228,7 @@ N2(g) -1.60 2.537e-02 1.001 0.000e+00 2.608e-03 2.608e-03
pH = 6.071 Charge balance
pe = -2.876 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 588
Density (g/cm³) = 0.99767
Density (g/cm³) = 0.99768
Volume (L) = 1.00356
Viscosity (mPa s) = 0.90362
Activity of water = 0.999
@ -1257,13 +1257,13 @@ C(-4) 9.699e-04
C(4) 2.277e-02
CO2 1.436e-02 1.439e-02 -1.843 -1.842 0.001 34.43
HCO3- 8.350e-03 7.534e-03 -2.078 -2.123 -0.045 24.65
CaHCO3+ 5.109e-05 4.618e-05 -4.292 -4.336 -0.044 122.69
CaHCO3+ 5.112e-05 4.620e-05 -4.291 -4.335 -0.044 9.72
(CO2)2 3.789e-06 3.799e-06 -5.421 -5.420 0.001 68.87
CaCO3 1.109e-06 1.112e-06 -5.955 -5.954 0.001 -14.60
CO3-2 6.280e-07 4.162e-07 -6.202 -6.381 -0.179 -3.65
Ca 2.453e-03
Ca+2 2.401e-03 1.590e-03 -2.620 -2.799 -0.179 -17.92
CaHCO3+ 5.109e-05 4.618e-05 -4.292 -4.336 -0.044 122.69
CaHCO3+ 5.112e-05 4.620e-05 -4.291 -4.335 -0.044 9.72
CaCO3 1.109e-06 1.112e-06 -5.955 -5.954 0.001 -14.60
CaOH+ 3.456e-10 3.106e-10 -9.461 -9.508 -0.046 (0)
H(0) 5.750e-10
@ -1349,7 +1349,7 @@ N2(g) -1.51 3.068e-02 1.001 0.000e+00 6.827e-03 6.827e-03
pe = -2.853 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 600
Density (g/cm³) = 0.99770
Volume (L) = 1.00365
Volume (L) = 1.00364
Viscosity (mPa s) = 0.90420
Activity of water = 0.999
Ionic strength (mol/kgw) = 1.105e-02
@ -1360,7 +1360,7 @@ N2(g) -1.51 3.068e-02 1.001 0.000e+00 6.827e-03 6.827e-03
Pressure (atm) = 1.10
Electrical balance (eq) = -1.216e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 20
Iterations = 21
Total H = 1.110340e+02
Total O = 5.556019e+01
@ -1377,15 +1377,15 @@ C(-4) 9.119e-04
C(4) 2.415e-02
CO2 1.543e-02 1.546e-02 -1.812 -1.811 0.001 34.43
HCO3- 8.653e-03 7.798e-03 -2.063 -2.108 -0.045 24.65
CaHCO3+ 5.266e-05 4.754e-05 -4.279 -4.323 -0.044 122.69
CaHCO3+ 5.268e-05 4.756e-05 -4.278 -4.323 -0.044 9.72
(CO2)2 4.373e-06 4.384e-06 -5.359 -5.358 0.001 68.87
CaCO3 1.100e-06 1.103e-06 -5.959 -5.958 0.001 -14.60
CO3-2 6.294e-07 4.151e-07 -6.201 -6.382 -0.181 -3.65
Ca 2.453e-03
Ca+2 2.399e-03 1.581e-03 -2.620 -2.801 -0.181 -17.91
CaHCO3+ 5.266e-05 4.754e-05 -4.279 -4.323 -0.044 122.69
CaHCO3+ 5.268e-05 4.756e-05 -4.278 -4.323 -0.044 9.72
CaCO3 1.100e-06 1.103e-06 -5.959 -5.958 0.001 -14.60
CaOH+ 3.315e-10 2.977e-10 -9.479 -9.526 -0.047 (0)
CaOH+ 3.315e-10 2.976e-10 -9.479 -9.526 -0.047 (0)
H(0) 5.562e-10
H2 2.781e-10 2.788e-10 -9.556 -9.555 0.001 28.61
N(-3) 3.805e-03
@ -1468,7 +1468,7 @@ N2(g) -1.48 3.341e-02 1.001 0.000e+00 1.550e-02 1.550e-02
pH = 6.047 Charge balance
pe = -2.841 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 605
Density (g/cm³) = 0.99771
Density (g/cm³) = 0.99772
Volume (L) = 1.00376
Viscosity (mPa s) = 0.90448
Activity of water = 0.999
@ -1497,13 +1497,13 @@ C(-4) 8.824e-04
C(4) 2.483e-02
CO2 1.597e-02 1.600e-02 -1.797 -1.796 0.001 34.43
HCO3- 8.795e-03 7.921e-03 -2.056 -2.101 -0.045 24.65
CaHCO3+ 5.338e-05 4.816e-05 -4.273 -4.317 -0.045 122.69
CaHCO3+ 5.340e-05 4.818e-05 -4.272 -4.317 -0.045 9.72
(CO2)2 4.685e-06 4.697e-06 -5.329 -5.328 0.001 68.87
CaCO3 1.093e-06 1.096e-06 -5.961 -5.960 0.001 -14.60
CO3-2 6.288e-07 4.138e-07 -6.201 -6.383 -0.182 -3.64
Ca 2.453e-03
Ca+2 2.398e-03 1.577e-03 -2.620 -2.802 -0.182 -17.91
CaHCO3+ 5.338e-05 4.816e-05 -4.273 -4.317 -0.045 122.69
CaHCO3+ 5.340e-05 4.818e-05 -4.272 -4.317 -0.045 9.72
CaCO3 1.093e-06 1.096e-06 -5.961 -5.960 0.001 -14.60
CaOH+ 3.247e-10 2.913e-10 -9.489 -9.536 -0.047 (0)
H(0) 5.469e-10
@ -1589,7 +1589,7 @@ N2(g) -1.46 3.477e-02 1.001 0.000e+00 3.297e-02 3.297e-02
pe = -2.835 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 607
Density (g/cm³) = 0.99772
Volume (L) = 1.00397
Volume (L) = 1.00396
Viscosity (mPa s) = 0.90461
Activity of water = 0.999
Ionic strength (mol/kgw) = 1.126e-02
@ -1617,13 +1617,13 @@ C(-4) 8.676e-04
C(4) 2.517e-02
CO2 1.624e-02 1.627e-02 -1.789 -1.789 0.001 34.43
HCO3- 8.862e-03 7.979e-03 -2.052 -2.098 -0.046 24.65
CaHCO3+ 5.371e-05 4.845e-05 -4.270 -4.315 -0.045 122.69
CaHCO3+ 5.373e-05 4.847e-05 -4.270 -4.315 -0.045 9.73
(CO2)2 4.845e-06 4.858e-06 -5.315 -5.314 0.001 68.87
CaCO3 1.090e-06 1.092e-06 -5.963 -5.962 0.001 -14.60
CO3-2 6.281e-07 4.129e-07 -6.202 -6.384 -0.182 -3.64
Ca 2.452e-03
Ca+2 2.397e-03 1.575e-03 -2.620 -2.803 -0.183 -17.91
CaHCO3+ 5.371e-05 4.845e-05 -4.270 -4.315 -0.045 122.69
CaHCO3+ 5.373e-05 4.847e-05 -4.270 -4.315 -0.045 9.73
CaCO3 1.090e-06 1.092e-06 -5.963 -5.962 0.001 -14.60
CaOH+ 3.213e-10 2.882e-10 -9.493 -9.540 -0.047 (0)
H(0) 5.423e-10
@ -1803,13 +1803,13 @@ C(-4) 8.710e-07
C(4) 5.991e-03
HCO3- 4.861e-03 4.455e-03 -2.313 -2.351 -0.038 24.63
CO2 1.090e-03 1.091e-03 -2.963 -2.962 0.000 34.43
CaHCO3+ 3.191e-05 2.929e-05 -4.496 -4.533 -0.037 122.68
CaHCO3+ 3.191e-05 2.929e-05 -4.496 -4.533 -0.037 9.71
CaCO3 5.482e-06 5.491e-06 -5.261 -5.260 0.001 -14.61
CO3-2 2.717e-06 1.918e-06 -5.566 -5.717 -0.151 -3.73
(CO2)2 2.182e-08 2.186e-08 -7.661 -7.660 0.001 68.87
Ca 2.453e-03
Ca+2 2.416e-03 1.704e-03 -2.617 -2.769 -0.152 -17.98
CaHCO3+ 3.191e-05 2.929e-05 -4.496 -4.533 -0.037 122.68
CaHCO3+ 3.191e-05 2.929e-05 -4.496 -4.533 -0.037 9.71
CaCO3 5.482e-06 5.491e-06 -5.261 -5.260 0.001 -14.61
CaOH+ 2.840e-09 2.596e-09 -8.547 -8.586 -0.039 (0)
H(0) 1.898e-10
@ -1923,13 +1923,13 @@ C(-4) 1.742e-06
C(4) 6.010e-03
HCO3- 4.864e-03 4.458e-03 -2.313 -2.351 -0.038 24.63
CO2 1.106e-03 1.108e-03 -2.956 -2.956 0.000 34.43
CaHCO3+ 3.193e-05 2.930e-05 -4.496 -4.533 -0.037 122.68
CaHCO3+ 3.193e-05 2.930e-05 -4.496 -4.533 -0.037 9.71
CaCO3 5.407e-06 5.416e-06 -5.267 -5.266 0.001 -14.61
CO3-2 2.680e-06 1.892e-06 -5.572 -5.723 -0.151 -3.73
(CO2)2 2.248e-08 2.252e-08 -7.648 -7.647 0.001 68.87
Ca 2.453e-03
Ca+2 2.416e-03 1.704e-03 -2.617 -2.769 -0.152 -17.98
CaHCO3+ 3.193e-05 2.930e-05 -4.496 -4.533 -0.037 122.68
CaHCO3+ 3.193e-05 2.930e-05 -4.496 -4.533 -0.037 9.71
CaCO3 5.407e-06 5.416e-06 -5.267 -5.266 0.001 -14.61
CaOH+ 2.799e-09 2.559e-09 -8.553 -8.592 -0.039 (0)
H(0) 2.249e-10
@ -2043,13 +2043,13 @@ C(-4) 2.613e-06
C(4) 6.029e-03
HCO3- 4.866e-03 4.460e-03 -2.313 -2.351 -0.038 24.63
CO2 1.123e-03 1.124e-03 -2.950 -2.949 0.000 34.43
CaHCO3+ 3.194e-05 2.932e-05 -4.496 -4.533 -0.037 122.68
CaHCO3+ 3.194e-05 2.932e-05 -4.496 -4.533 -0.037 9.71
CaCO3 5.334e-06 5.343e-06 -5.273 -5.272 0.001 -14.61
CO3-2 2.644e-06 1.867e-06 -5.578 -5.729 -0.151 -3.73
(CO2)2 2.315e-08 2.319e-08 -7.635 -7.635 0.001 68.87
Ca 2.453e-03
Ca+2 2.416e-03 1.704e-03 -2.617 -2.769 -0.152 -17.98
CaHCO3+ 3.194e-05 2.932e-05 -4.496 -4.533 -0.037 122.68
CaHCO3+ 3.194e-05 2.932e-05 -4.496 -4.533 -0.037 9.71
CaCO3 5.334e-06 5.343e-06 -5.273 -5.272 0.001 -14.61
CaOH+ 2.760e-09 2.523e-09 -8.559 -8.598 -0.039 (0)
H(0) 2.480e-10
@ -2135,7 +2135,7 @@ N2(g) -3.85 1.418e-04 1.000 0.000e+00 1.345e-04 1.345e-04
pe = -3.581 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 457
Density (g/cm³) = 0.99733
Volume (L) = 1.00309
Volume (L) = 1.00308
Viscosity (mPa s) = 0.89463
Activity of water = 1.000
Ionic strength (mol/kgw) = 7.293e-03
@ -2163,13 +2163,13 @@ C(-4) 3.485e-06
C(4) 6.048e-03
HCO3- 4.869e-03 4.463e-03 -2.313 -2.350 -0.038 24.63
CO2 1.139e-03 1.140e-03 -2.943 -2.943 0.000 34.43
CaHCO3+ 3.196e-05 2.933e-05 -4.495 -4.533 -0.037 122.68
CaHCO3+ 3.196e-05 2.933e-05 -4.495 -4.533 -0.037 9.71
CaCO3 5.263e-06 5.272e-06 -5.279 -5.278 0.001 -14.61
CO3-2 2.609e-06 1.842e-06 -5.583 -5.735 -0.151 -3.73
(CO2)2 2.383e-08 2.387e-08 -7.623 -7.622 0.001 68.87
Ca 2.453e-03
Ca+2 2.416e-03 1.704e-03 -2.617 -2.769 -0.152 -17.98
CaHCO3+ 3.196e-05 2.933e-05 -4.495 -4.533 -0.037 122.68
CaHCO3+ 3.196e-05 2.933e-05 -4.495 -4.533 -0.037 9.71
CaCO3 5.263e-06 5.272e-06 -5.279 -5.278 0.001 -14.61
CaOH+ 2.722e-09 2.488e-09 -8.565 -8.604 -0.039 (0)
H(0) 2.656e-10
@ -2283,13 +2283,13 @@ C(-4) 6.970e-06
C(4) 6.123e-03
HCO3- 4.879e-03 4.472e-03 -2.312 -2.349 -0.038 24.63
CO2 1.204e-03 1.206e-03 -2.919 -2.919 0.000 34.43
CaHCO3+ 3.202e-05 2.939e-05 -4.495 -4.532 -0.037 122.68
CaHCO3+ 3.202e-05 2.939e-05 -4.495 -4.532 -0.037 9.71
CaCO3 4.998e-06 5.006e-06 -5.301 -5.300 0.001 -14.61
CO3-2 2.479e-06 1.749e-06 -5.606 -5.757 -0.151 -3.73
(CO2)2 2.664e-08 2.668e-08 -7.574 -7.574 0.001 68.87
Ca 2.453e-03
Ca+2 2.416e-03 1.704e-03 -2.617 -2.769 -0.152 -17.98
CaHCO3+ 3.202e-05 2.939e-05 -4.495 -4.532 -0.037 122.68
CaHCO3+ 3.202e-05 2.939e-05 -4.495 -4.532 -0.037 9.71
CaCO3 4.998e-06 5.006e-06 -5.301 -5.300 0.001 -14.61
CaOH+ 2.580e-09 2.358e-09 -8.588 -8.627 -0.039 (0)
H(0) 3.114e-10
@ -2374,7 +2374,7 @@ N2(g) -3.24 5.690e-04 1.000 0.000e+00 5.396e-04 5.396e-04
pH = 6.878 Charge balance
pe = -3.582 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 458
Density (g/cm³) = 0.99733
Density (g/cm³) = 0.99734
Volume (L) = 1.00310
Viscosity (mPa s) = 0.89486
Activity of water = 1.000
@ -2403,13 +2403,13 @@ C(-4) 1.394e-05
C(4) 6.274e-03
HCO3- 4.900e-03 4.490e-03 -2.310 -2.348 -0.038 24.63
CO2 1.335e-03 1.336e-03 -2.875 -2.874 0.000 34.43
CaHCO3+ 3.215e-05 2.950e-05 -4.493 -4.530 -0.037 122.68
CaHCO3+ 3.215e-05 2.950e-05 -4.493 -4.530 -0.037 9.71
CaCO3 4.545e-06 4.553e-06 -5.342 -5.342 0.001 -14.61
CO3-2 2.256e-06 1.591e-06 -5.647 -5.798 -0.152 -3.73
(CO2)2 3.273e-08 3.278e-08 -7.485 -7.484 0.001 68.87
Ca 2.453e-03
Ca+2 2.416e-03 1.703e-03 -2.617 -2.769 -0.152 -17.98
CaHCO3+ 3.215e-05 2.950e-05 -4.493 -4.530 -0.037 122.68
CaHCO3+ 3.215e-05 2.950e-05 -4.493 -4.530 -0.037 9.71
CaCO3 4.545e-06 4.553e-06 -5.342 -5.342 0.001 -14.61
CaOH+ 2.337e-09 2.135e-09 -8.631 -8.671 -0.039 (0)
H(0) 3.610e-10
@ -2495,7 +2495,7 @@ N2(g) -2.94 1.137e-03 1.000 0.000e+00 1.079e-03 1.079e-03
pe = -3.536 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 460
Density (g/cm³) = 0.99734
Volume (L) = 1.00313
Volume (L) = 1.00312
Viscosity (mPa s) = 0.89515
Activity of water = 1.000
Ionic strength (mol/kgw) = 7.365e-03
@ -2523,13 +2523,13 @@ C(-4) 2.788e-05
C(4) 6.577e-03
HCO3- 4.943e-03 4.529e-03 -2.306 -2.344 -0.038 24.63
CO2 1.596e-03 1.598e-03 -2.797 -2.797 0.000 34.43
CaHCO3+ 3.241e-05 2.973e-05 -4.489 -4.527 -0.037 122.68
CaHCO3+ 3.241e-05 2.973e-05 -4.489 -4.527 -0.037 9.71
CaCO3 3.864e-06 3.871e-06 -5.413 -5.412 0.001 -14.61
CO3-2 1.921e-06 1.354e-06 -5.716 -5.868 -0.152 -3.73
(CO2)2 4.677e-08 4.685e-08 -7.330 -7.329 0.001 68.87
Ca 2.453e-03
Ca+2 2.417e-03 1.702e-03 -2.617 -2.769 -0.152 -17.98
CaHCO3+ 3.241e-05 2.973e-05 -4.489 -4.527 -0.037 122.68
CaHCO3+ 3.241e-05 2.973e-05 -4.489 -4.527 -0.037 9.71
CaCO3 3.864e-06 3.871e-06 -5.413 -5.412 0.001 -14.61
CaOH+ 1.970e-09 1.800e-09 -8.706 -8.745 -0.039 (0)
H(0) 4.105e-10
@ -2643,13 +2643,13 @@ C(-4) 5.573e-05
C(4) 7.193e-03
HCO3- 5.037e-03 4.613e-03 -2.298 -2.336 -0.038 24.63
CO2 2.117e-03 2.120e-03 -2.674 -2.674 0.000 34.43
CaHCO3+ 3.297e-05 3.023e-05 -4.482 -4.520 -0.038 122.68
CaHCO3+ 3.297e-05 3.023e-05 -4.482 -4.520 -0.038 9.71
CaCO3 3.016e-06 3.022e-06 -5.521 -5.520 0.001 -14.61
CO3-2 1.505e-06 1.059e-06 -5.822 -5.975 -0.153 -3.73
(CO2)2 8.234e-08 8.248e-08 -7.084 -7.084 0.001 68.87
Ca 2.453e-03
Ca+2 2.417e-03 1.699e-03 -2.617 -2.770 -0.153 -17.97
CaHCO3+ 3.297e-05 3.023e-05 -4.482 -4.520 -0.038 122.68
CaHCO3+ 3.297e-05 3.023e-05 -4.482 -4.520 -0.038 9.71
CaCO3 3.016e-06 3.022e-06 -5.521 -5.520 0.001 -14.61
CaOH+ 1.511e-09 1.380e-09 -8.821 -8.860 -0.039 (0)
H(0) 4.548e-10
@ -2734,7 +2734,7 @@ N2(g) -2.36 4.407e-03 1.000 0.000e+00 4.181e-03 4.181e-03
pH = 6.540 Charge balance
pe = -3.309 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 471
Density (g/cm³) = 0.99737
Density (g/cm³) = 0.99738
Volume (L) = 1.00326
Viscosity (mPa s) = 0.89657
Activity of water = 1.000
@ -2763,13 +2763,13 @@ C(-4) 1.088e-04
C(4) 8.394e-03
HCO3- 5.246e-03 4.799e-03 -2.280 -2.319 -0.039 24.63
CO2 3.110e-03 3.114e-03 -2.507 -2.507 0.001 34.43
CaHCO3+ 3.418e-05 3.131e-05 -4.466 -4.504 -0.038 122.68
CaHCO3+ 3.418e-05 3.131e-05 -4.466 -4.504 -0.038 9.71
CaCO3 2.212e-06 2.216e-06 -5.655 -5.654 0.001 -14.60
CO3-2 1.114e-06 7.800e-07 -5.953 -6.108 -0.155 -3.72
(CO2)2 1.777e-07 1.780e-07 -6.750 -6.750 0.001 68.87
Ca 2.453e-03
Ca+2 2.416e-03 1.691e-03 -2.617 -2.772 -0.155 -17.97
CaHCO3+ 3.418e-05 3.131e-05 -4.466 -4.504 -0.038 122.68
CaHCO3+ 3.418e-05 3.131e-05 -4.466 -4.504 -0.038 9.71
CaCO3 2.212e-06 2.216e-06 -5.655 -5.654 0.001 -14.60
CaOH+ 1.066e-09 9.727e-10 -8.972 -9.012 -0.040 (0)
H(0) 4.883e-10
@ -2854,8 +2854,8 @@ N2(g) -2.06 8.751e-03 1.000 0.000e+00 8.306e-03 8.306e-03
pH = 6.360 Charge balance
pe = -3.139 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 490
Density (g/cm³) = 0.99742
Volume (L) = 1.00345
Density (g/cm³) = 0.99743
Volume (L) = 1.00344
Viscosity (mPa s) = 0.89810
Activity of water = 1.000
Ionic strength (mol/kgw) = 8.155e-03
@ -2883,13 +2883,13 @@ C(-4) 2.173e-04
C(4) 1.092e-02
HCO3- 5.738e-03 5.237e-03 -2.241 -2.281 -0.040 24.64
CO2 5.139e-03 5.146e-03 -2.289 -2.289 0.001 34.43
CaHCO3+ 3.699e-05 3.381e-05 -4.432 -4.471 -0.039 122.68
CaHCO3+ 3.699e-05 3.381e-05 -4.432 -4.471 -0.039 9.71
CaCO3 1.577e-06 1.580e-06 -5.802 -5.801 0.001 -14.60
CO3-2 8.103e-07 5.622e-07 -6.091 -6.250 -0.159 -3.71
(CO2)2 4.851e-07 4.860e-07 -6.314 -6.313 0.001 68.87
Ca 2.452e-03
Ca+2 2.414e-03 1.673e-03 -2.617 -2.776 -0.159 -17.96
CaHCO3+ 3.699e-05 3.381e-05 -4.432 -4.471 -0.039 122.68
CaHCO3+ 3.699e-05 3.381e-05 -4.432 -4.471 -0.039 9.71
CaCO3 1.577e-06 1.580e-06 -5.802 -5.801 0.001 -14.60
CaOH+ 6.985e-10 6.355e-10 -9.156 -9.197 -0.041 (0)
H(0) 5.119e-10
@ -3003,13 +3003,13 @@ C(-4) 4.337e-04
C(4) 1.604e-02
CO2 9.180e-03 9.193e-03 -2.037 -2.037 0.001 34.43
HCO3- 6.813e-03 6.187e-03 -2.167 -2.209 -0.042 24.64
CaHCO3+ 4.294e-05 3.905e-05 -4.367 -4.408 -0.041 122.69
CaHCO3+ 4.294e-05 3.905e-05 -4.367 -4.408 -0.041 9.72
(CO2)2 1.548e-06 1.551e-06 -5.810 -5.809 0.001 68.87
CaCO3 1.205e-06 1.207e-06 -5.919 -5.918 0.001 -14.60
CO3-2 6.457e-07 4.392e-07 -6.190 -6.357 -0.167 -3.69
Ca 2.452e-03
Ca+2 2.408e-03 1.636e-03 -2.618 -2.786 -0.168 -17.94
CaHCO3+ 4.294e-05 3.905e-05 -4.367 -4.408 -0.041 122.69
CaHCO3+ 4.294e-05 3.905e-05 -4.367 -4.408 -0.041 9.72
CaCO3 1.205e-06 1.207e-06 -5.919 -5.918 0.001 -14.60
CaOH+ 4.540e-10 4.109e-10 -9.343 -9.386 -0.043 (0)
H(0) 5.262e-10
@ -3094,8 +3094,8 @@ N2(g) -1.46 3.459e-02 1.001 0.000e+00 3.292e-02 3.292e-02
pH = 6.022 Charge balance
pe = -2.811 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 611
Density (g/cm³) = 0.99773
Volume (L) = 1.00454
Density (g/cm³) = 0.99774
Volume (L) = 1.00453
Viscosity (mPa s) = 0.90495
Activity of water = 0.999
Ionic strength (mol/kgw) = 1.135e-02
@ -3123,13 +3123,13 @@ C(-4) 8.641e-04
C(4) 2.622e-02
CO2 1.720e-02 1.723e-02 -1.764 -1.764 0.001 34.43
HCO3- 8.951e-03 8.057e-03 -2.048 -2.094 -0.046 24.66
CaHCO3+ 5.413e-05 4.881e-05 -4.267 -4.311 -0.045 122.69
CaHCO3+ 5.416e-05 4.884e-05 -4.266 -4.311 -0.045 9.73
(CO2)2 5.435e-06 5.450e-06 -5.265 -5.264 0.001 68.87
CaCO3 1.047e-06 1.049e-06 -5.980 -5.979 0.001 -14.60
CO3-2 6.054e-07 3.974e-07 -6.218 -6.401 -0.183 -3.64
Ca 2.451e-03
Ca+2 2.396e-03 1.572e-03 -2.621 -2.804 -0.183 -17.91
CaHCO3+ 5.413e-05 4.881e-05 -4.267 -4.311 -0.045 122.69
CaHCO3+ 5.416e-05 4.884e-05 -4.266 -4.311 -0.045 9.73
CaCO3 1.047e-06 1.049e-06 -5.980 -5.979 0.001 -14.60
CaOH+ 3.058e-10 2.742e-10 -9.515 -9.562 -0.047 (0)
H(0) 5.340e-10

2
phreeqc3-examples/ex7.sel
View File

@ -15,7 +15,7 @@
2 react 1.0000e+00 -0.3204 -0.2586 -1.4585 -7.4178 1.1000e+00 1.0429e+00 2.3104e+01 4.5606e-01 5.2388e-01 3.2968e-02 0.0000e+00
3 i_gas -99 -1.5001 -21.5512 -999.9990 -999.9990 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00
3 react 1.0000e-03 -1.4939 -3.2574 -4.4529 -9.5994 6.4111e-02 6.0800e-02 2.3190e+01 3.0424e-02 5.2421e-04 3.3415e-05 0.0000e+00
3 react 2.0000e-03 -1.4874 -2.9563 -4.1504 -9.3376 6.5180e-02 6.1814e-02 2.3190e+01 3.0880e-02 1.0486e-03 6.7058e-05 0.0000e+00
3 react 2.0000e-03 -1.4874 -2.9563 -4.1504 -9.3376 6.5179e-02 6.1814e-02 2.3190e+01 3.0880e-02 1.0486e-03 6.7058e-05 0.0000e+00
3 react 3.0000e-03 -1.4811 -2.7802 -3.9735 -9.1856 6.6249e-02 6.2828e-02 2.3190e+01 3.1336e-02 1.5730e-03 1.0076e-04 0.0000e+00
3 react 4.0000e-03 -1.4748 -2.6552 -3.8481 -9.0783 6.7318e-02 6.3843e-02 2.3190e+01 3.1792e-02 2.0975e-03 1.3450e-04 0.0000e+00
3 react 8.0000e-03 -1.4506 -2.3542 -3.5462 -8.8236 7.1596e-02 6.7900e-02 2.3190e+01 3.3615e-02 4.1953e-03 2.6955e-04 0.0000e+00