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iphreeqc/ex18.out
David L Parkhurst 93683e57ef No memory leak check in output files. 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@2205 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2007-08-30 16:36:35 +00:00

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Input file: ../examples/ex18
Output file: ex18.out
Database file: ../database/phreeqc.dat
------------------
Reading data base.
------------------
SOLUTION_MASTER_SPECIES
SOLUTION_SPECIES
PHASES
EXCHANGE_MASTER_SPECIES
EXCHANGE_SPECIES
SURFACE_MASTER_SPECIES
SURFACE_SPECIES
RATES
END
------------------------------------
Reading input data for simulation 1.
------------------------------------
TITLE Example 18.--Inverse modeling of Madison aquifer
SOLUTION 1 Recharge number 3
units mmol/kgw
temp 9.9
pe 0.
pH 7.55
Ca 1.2
Mg 1.01
Na 0.02
K 0.02
Fe(2) 0.001
Cl 0.02
S(6) 0.16
S(-2) 0
C(4) 4.30
isotope 13C -7.0 1.4
isotope 34S 9.7 0.9
SOLUTION 2 Mysse
units mmol/kgw
temp 63.
pH 6.61
pe 0.
redox S(6)/S(-2)
Ca 11.28
Mg 4.54
Na 31.89
K 2.54
Fe(2) 0.0004
Cl 17.85
S(6) 19.86
S(-2) 0.26
C(4) 6.87
isotope 13C -2.3 0.2
isotope 34S(6) 16.3 1.5
isotope 34S(-2) -22.1 7
INVERSE_MODELING 1
solutions 1 2
uncertainty 0.05
range
isotopes
13C
34S
balances
Fe(2) 1.0
ph 0.1
phases
Dolomite dis 13C 3.0 2
Calcite pre 13C -1.5 1
Anhydrite dis 34S 13.5 2
CH2O dis 13C -25.0 5
Goethite
Pyrite pre 34S -22. 2
CaX2 pre
Ca.75Mg.25X2 pre
MgX2 pre
NaX
Halite
Sylvite
PHASES
Sylvite
KCl = K+ + Cl-
log_k 0.0
CH2O
CH2O + H2O = CO2 + 4H+ + 4e-
log_k 0.0
EXCHANGE_SPECIES
0.75Ca+2 + 0.25Mg+2 + 2X- = Ca.75Mg.25X2
log_k 0.0
END
-----
TITLE
-----
Example 18.--Inverse modeling of Madison aquifer
-------------------------------------------
Beginning of initial solution calculations.
-------------------------------------------
Initial solution 1. Recharge number 3
-----------------------------Solution composition------------------------------
Elements Molality Moles
C(4) 4.300e-03 4.300e-03
Ca 1.200e-03 1.200e-03
Cl 2.000e-05 2.000e-05
Fe(2) 1.000e-06 1.000e-06
K 2.000e-05 2.000e-05
Mg 1.010e-03 1.010e-03
Na 2.000e-05 2.000e-05
S(6) 1.600e-04 1.600e-04
----------------------------Description of solution----------------------------
pH = 7.550
pe = 0.000
Activity of water = 1.000
Ionic strength = 6.543e-03
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 4.016e-03
Total CO2 (mol/kg) = 4.300e-03
Temperature (deg C) = 9.900
Electrical balance (eq) = 1.061e-04
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 1.24
Iterations = 8
Total H = 1.110164e+02
Total O = 5.551946e+01
----------------------------Distribution of species----------------------------
Log Log Log
Species Molality Activity Molality Activity Gamma
OH- 1.120e-07 1.029e-07 -6.951 -6.988 -0.037
H+ 3.038e-08 2.818e-08 -7.517 -7.550 -0.033
H2O 5.551e+01 9.999e-01 1.744 0.000 0.000
C(4) 4.300e-03
HCO3- 3.929e-03 3.623e-03 -2.406 -2.441 -0.035
CO2 2.970e-04 2.974e-04 -3.527 -3.527 0.001
MgHCO3+ 3.098e-05 2.850e-05 -4.509 -4.545 -0.036
CaHCO3+ 3.027e-05 2.792e-05 -4.519 -4.554 -0.035
CO3-2 5.765e-06 4.168e-06 -5.239 -5.380 -0.141
CaCO3 4.727e-06 4.734e-06 -5.325 -5.325 0.001
MgCO3 2.208e-06 2.211e-06 -5.656 -5.655 0.001
FeHCO3+ 2.086e-07 1.919e-07 -6.681 -6.717 -0.036
FeCO3 5.289e-08 5.297e-08 -7.277 -7.276 0.001
NaHCO3 3.737e-08 3.742e-08 -7.428 -7.427 0.001
NaCO3- 6.948e-10 6.391e-10 -9.158 -9.194 -0.036
Ca 1.200e-03
Ca+2 1.151e-03 8.317e-04 -2.939 -3.080 -0.141
CaHCO3+ 3.027e-05 2.792e-05 -4.519 -4.554 -0.035
CaSO4 1.393e-05 1.395e-05 -4.856 -4.855 0.001
CaCO3 4.727e-06 4.734e-06 -5.325 -5.325 0.001
CaOH+ 5.323e-09 4.897e-09 -8.274 -8.310 -0.036
CaHSO4+ 2.136e-12 1.965e-12 -11.670 -11.707 -0.036
Cl 2.000e-05
Cl- 2.000e-05 1.838e-05 -4.699 -4.736 -0.037
FeCl+ 1.461e-11 1.344e-11 -10.835 -10.872 -0.036
Fe(2) 1.000e-06
Fe+2 7.296e-07 5.298e-07 -6.137 -6.276 -0.139
FeHCO3+ 2.086e-07 1.919e-07 -6.681 -6.717 -0.036
FeCO3 5.289e-08 5.297e-08 -7.277 -7.276 0.001
FeSO4 6.861e-09 6.871e-09 -8.164 -8.163 0.001
FeOH+ 1.969e-09 1.811e-09 -8.706 -8.742 -0.036
FeCl+ 1.461e-11 1.344e-11 -10.835 -10.872 -0.036
FeHSO4+ 1.361e-15 1.252e-15 -14.866 -14.903 -0.036
H(0) 1.316e-18
H2 6.579e-19 6.588e-19 -18.182 -18.181 0.001
K 2.000e-05
K+ 1.999e-05 1.837e-05 -4.699 -4.736 -0.037
KSO4- 1.037e-08 9.538e-09 -7.984 -8.021 -0.036
KOH 2.256e-12 2.260e-12 -11.647 -11.646 0.001
Mg 1.010e-03
Mg+2 9.662e-04 7.011e-04 -3.015 -3.154 -0.139
MgHCO3+ 3.098e-05 2.850e-05 -4.509 -4.545 -0.036
MgSO4 1.063e-05 1.064e-05 -4.974 -4.973 0.001
MgCO3 2.208e-06 2.211e-06 -5.656 -5.655 0.001
MgOH+ 2.335e-08 2.148e-08 -7.632 -7.668 -0.036
Na 2.000e-05
Na+ 1.995e-05 1.837e-05 -4.700 -4.736 -0.036
NaHCO3 3.737e-08 3.742e-08 -7.428 -7.427 0.001
NaSO4- 8.826e-09 8.119e-09 -8.054 -8.090 -0.036
NaCO3- 6.948e-10 6.391e-10 -9.158 -9.194 -0.036
NaOH 4.299e-12 4.306e-12 -11.367 -11.366 0.001
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -61.151 -61.151 0.001
S(6) 1.600e-04
SO4-2 1.354e-04 9.754e-05 -3.868 -4.011 -0.142
CaSO4 1.393e-05 1.395e-05 -4.856 -4.855 0.001
MgSO4 1.063e-05 1.064e-05 -4.974 -4.973 0.001
KSO4- 1.037e-08 9.538e-09 -7.984 -8.021 -0.036
NaSO4- 8.826e-09 8.119e-09 -8.054 -8.090 -0.036
FeSO4 6.861e-09 6.871e-09 -8.164 -8.163 0.001
HSO4- 2.136e-10 1.965e-10 -9.670 -9.707 -0.036
CaHSO4+ 2.136e-12 1.965e-12 -11.670 -11.707 -0.036
FeHSO4+ 1.361e-15 1.252e-15 -14.866 -14.903 -0.036
------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT
Anhydrite -2.76 -7.09 -4.34 CaSO4
Aragonite -0.21 -8.46 -8.25 CaCO3
Calcite -0.05 -8.46 -8.41 CaCO3
CH2O -33.73 -33.73 0.00 CH2O
CO2(g) -2.26 -3.53 -1.27 CO2
Dolomite -0.27 -16.99 -16.72 CaMg(CO3)2
Gypsum -2.50 -7.09 -4.59 CaSO4:2H2O
H2(g) -15.10 -18.18 -3.08 H2
H2O(g) -1.92 0.00 1.92 H2O
Halite -11.02 -9.47 1.55 NaCl
Melanterite -7.88 -10.29 -2.41 FeSO4:7H2O
O2(g) -58.39 -61.15 -2.76 O2
Siderite -0.86 -11.66 -10.79 FeCO3
Sylvite -9.47 -9.47 0.00 KCl
Initial solution 2. Mysse
-----------------------------Solution composition------------------------------
Elements Molality Moles
C(4) 6.870e-03 6.870e-03
Ca 1.128e-02 1.128e-02
Cl 1.785e-02 1.785e-02
Fe(2) 4.000e-07 4.000e-07
K 2.540e-03 2.540e-03
Mg 4.540e-03 4.540e-03
Na 3.189e-02 3.189e-02
S(-2) 2.600e-04 2.600e-04
S(6) 1.986e-02 1.986e-02
----------------------------Description of solution----------------------------
pH = 6.610
pe = 0.000
Activity of water = 0.999
Ionic strength = 7.256e-02
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 5.258e-03
Total CO2 (mol/kg) = 6.870e-03
Temperature (deg C) = 63.000
Electrical balance (eq) = 3.242e-03
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 3.20
Iterations = 8
Total H = 1.110179e+02
Total O = 5.560448e+01
---------------------------------Redox couples---------------------------------
Redox couple pe Eh (volts)
S(-2)/S(6) -3.6487 -0.2434
----------------------------Distribution of species----------------------------
Log Log Log
Species Molality Activity Molality Activity Gamma
OH- 5.726e-07 4.419e-07 -6.242 -6.355 -0.112
H+ 2.963e-07 2.455e-07 -6.528 -6.610 -0.082
H2O 5.551e+01 9.985e-01 1.744 -0.001 0.000
C(4) 6.870e-03
HCO3- 4.711e-03 3.746e-03 -2.327 -2.426 -0.100
CO2 1.784e-03 1.814e-03 -2.749 -2.741 0.007
CaHCO3+ 2.347e-04 1.867e-04 -3.629 -3.729 -0.100
MgHCO3+ 6.578e-05 5.169e-05 -4.182 -4.287 -0.105
NaHCO3 5.046e-05 5.131e-05 -4.297 -4.290 0.007
CaCO3 1.560e-05 1.586e-05 -4.807 -4.800 0.007
NaCO3- 3.512e-06 2.760e-06 -5.454 -5.559 -0.105
CO3-2 2.780e-06 1.112e-06 -5.556 -5.954 -0.398
MgCO3 1.642e-06 1.670e-06 -5.784 -5.777 0.007
FeHCO3+ 1.177e-08 9.248e-09 -7.929 -8.034 -0.105
FeCO3 6.474e-10 6.583e-10 -9.189 -9.182 0.007
Ca 1.128e-02
Ca+2 7.217e-03 2.899e-03 -2.142 -2.538 -0.396
CaSO4 3.813e-03 3.877e-03 -2.419 -2.411 0.007
CaHCO3+ 2.347e-04 1.867e-04 -3.629 -3.729 -0.100
CaCO3 1.560e-05 1.586e-05 -4.807 -4.800 0.007
CaHSO4+ 1.322e-08 1.039e-08 -7.879 -7.983 -0.105
CaOH+ 2.491e-09 1.957e-09 -8.604 -8.708 -0.105
Cl 1.785e-02
Cl- 1.785e-02 1.381e-02 -1.748 -1.860 -0.111
FeCl+ 5.988e-10 4.706e-10 -9.223 -9.327 -0.105
Fe(2) 4.000e-07
Fe(HS)2 2.830e-07 2.878e-07 -6.548 -6.541 0.007
Fe+2 5.978e-08 2.468e-08 -7.223 -7.608 -0.384
FeSO4 3.911e-08 3.977e-08 -7.408 -7.400 0.007
FeHCO3+ 1.177e-08 9.248e-09 -7.929 -8.034 -0.105
Fe(HS)3- 4.561e-09 3.585e-09 -8.341 -8.446 -0.105
FeCO3 6.474e-10 6.583e-10 -9.189 -9.182 0.007
FeCl+ 5.988e-10 4.706e-10 -9.223 -9.327 -0.105
FeOH+ 5.014e-10 3.940e-10 -9.300 -9.404 -0.105
FeHSO4+ 1.125e-13 8.843e-14 -12.949 -13.053 -0.105
H(0) 1.190e-09
H2 5.948e-10 6.048e-10 -9.226 -9.218 0.007
K 2.540e-03
K+ 2.394e-03 1.852e-03 -2.621 -2.732 -0.111
KSO4- 1.459e-04 1.146e-04 -3.836 -3.941 -0.105
KOH 2.569e-11 2.613e-11 -10.590 -10.583 0.007
Mg 4.540e-03
MgSO4 2.360e-03 2.399e-03 -2.627 -2.620 0.007
Mg+2 2.113e-03 8.783e-04 -2.675 -3.056 -0.381
MgHCO3+ 6.578e-05 5.169e-05 -4.182 -4.287 -0.105
MgCO3 1.642e-06 1.670e-06 -5.784 -5.777 0.007
MgOH+ 3.463e-07 2.721e-07 -6.461 -6.565 -0.105
Na 3.189e-02
Na+ 3.090e-02 2.435e-02 -1.510 -1.613 -0.103
NaSO4- 9.408e-04 7.393e-04 -3.027 -3.131 -0.105
NaHCO3 5.046e-05 5.131e-05 -4.297 -4.290 0.007
NaCO3- 3.512e-06 2.760e-06 -5.454 -5.559 -0.105
NaOH 6.437e-10 6.545e-10 -9.191 -9.184 0.007
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -63.075 -63.067 0.007
S(-2) 2.600e-04
HS- 1.482e-04 1.144e-04 -3.829 -3.942 -0.112
H2S 1.112e-04 1.131e-04 -3.954 -3.947 0.007
Fe(HS)2 2.830e-07 2.878e-07 -6.548 -6.541 0.007
Fe(HS)3- 4.561e-09 3.585e-09 -8.341 -8.446 -0.105
S-2 1.449e-09 5.662e-10 -8.839 -9.247 -0.408
S(6) 1.986e-02
SO4-2 1.260e-02 4.892e-03 -1.900 -2.311 -0.411
CaSO4 3.813e-03 3.877e-03 -2.419 -2.411 0.007
MgSO4 2.360e-03 2.399e-03 -2.627 -2.620 0.007
NaSO4- 9.408e-04 7.393e-04 -3.027 -3.131 -0.105
KSO4- 1.459e-04 1.146e-04 -3.836 -3.941 -0.105
HSO4- 3.792e-07 2.980e-07 -6.421 -6.526 -0.105
FeSO4 3.911e-08 3.977e-08 -7.408 -7.400 0.007
CaHSO4+ 1.322e-08 1.039e-08 -7.879 -7.983 -0.105
FeHSO4+ 1.125e-13 8.843e-14 -12.949 -13.053 -0.105
------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT
Anhydrite -0.14 -4.85 -4.71 CaSO4
Aragonite 0.18 -8.49 -8.67 CaCO3
Calcite 0.30 -8.49 -8.79 CaCO3
CH2O -14.59 -14.59 0.00 CH2O
CO2(g) -0.94 -2.74 -1.80 CO2
Dolomite 0.37 -17.50 -17.87 CaMg(CO3)2
FeS(ppt) -1.02 -4.94 -3.92 FeS
Gypsum -0.18 -4.85 -4.67 CaSO4:2H2O
H2(g) -5.92 -9.22 -3.30 H2
H2O(g) -0.64 0.00 0.64 H2O
H2S(g) -2.57 -3.95 -1.38 H2S
Halite -5.13 -3.47 1.66 NaCl
Mackinawite -0.29 -4.94 -4.65 FeS
Melanterite -8.07 -9.92 -1.85 FeSO4:7H2O
O2(g) -59.99 -63.07 -3.07 O2
Pyrite 7.97 -9.57 -17.54 FeS2
Siderite -2.47 -13.56 -11.10 FeCO3
Sulfur -2.12 1.98 4.09 S
Sylvite -4.59 -4.59 0.00 KCl
---------------------------------------------
Beginning of inverse modeling 1 calculations.
---------------------------------------------
Using Cl1 standard precision optimization routine.
Solution 1: Recharge number 3
Input Delta Input+Delta
pH 7.550e+00 + 0.000e+00 = 7.550e+00
Alkalinity 4.016e-03 + 0.000e+00 = 4.016e-03
C(-4) 0.000e+00 + 0.000e+00 = 0.000e+00
C(4) 4.300e-03 + 0.000e+00 = 4.300e-03
Ca 1.200e-03 + -5.306e-05 = 1.147e-03
Cl 2.000e-05 + 0.000e+00 = 2.000e-05
Fe(2) 1.000e-06 + 0.000e+00 = 1.000e-06
Fe(3) 0.000e+00 + 0.000e+00 = 0.000e+00
H(0) 0.000e+00 + 0.000e+00 = 0.000e+00
K 2.000e-05 + 0.000e+00 = 2.000e-05
Mg 1.010e-03 + 0.000e+00 = 1.010e-03
Na 2.000e-05 + 0.000e+00 = 2.000e-05
O(0) 0.000e+00 + 0.000e+00 = 0.000e+00
S(-2) 0.000e+00 + 0.000e+00 = 0.000e+00
S(6) 1.600e-04 + 0.000e+00 = 1.600e-04
X 0.000e+00 + 0.000e+00 = 0.000e+00
13C(-4) -7 + 0 = -7
13C(4) -7 + 0 = -7
34S(-2) 9.7 + 0 = 9.7
34S(6) 9.7 + 0 = 9.7
Solution 2: Mysse
Input Delta Input+Delta
pH 6.610e+00 + 0.000e+00 = 6.610e+00
Alkalinity 5.258e-03 + 0.000e+00 = 5.258e-03
C(-4) 0.000e+00 + 0.000e+00 = 0.000e+00
C(4) 6.870e-03 + 0.000e+00 = 6.870e-03
Ca 1.128e-02 + 0.000e+00 = 1.128e-02
Cl 1.785e-02 + 0.000e+00 = 1.785e-02
Fe(2) 4.000e-07 + 0.000e+00 = 4.000e-07
Fe(3) 0.000e+00 + 0.000e+00 = 0.000e+00
H(0) 1.190e-09 + 0.000e+00 = 1.190e-09
K 2.540e-03 + 0.000e+00 = 2.540e-03
Mg 4.540e-03 + 0.000e+00 = 4.540e-03
Na 3.189e-02 + -1.256e-03 = 3.063e-02
O(0) 0.000e+00 + 0.000e+00 = 0.000e+00
S(-2) 2.600e-04 + 0.000e+00 = 2.600e-04
S(6) 1.986e-02 + 9.930e-04 = 2.085e-02
X 0.000e+00 + 0.000e+00 = 0.000e+00
13C(-4) -2.3 + 0 = -2.3
13C(4) -2.3 + 0 = -2.3
34S(-2) -22.1 + 0 = -22.1
34S(6) 16.3 + 0 = 16.3
Isotopic composition of phases:
13C Dolomite 3 + 0 = 3
13C Calcite -1.5 + 0 = -1.5
34S Anhydrite 13.5 + -0.65116 = 12.8488
13C CH2O -25 + 3.56577 = -21.4342
34S Pyrite -22 + 2 = -20
Solution fractions: Minimum Maximum
Solution 1 1.000e+00 9.999e-01 1.000e+00
Solution 2 1.000e+00 1.000e+00 1.000e+00
Phase mole transfers: Minimum Maximum
Dolomite 1.118e-02 1.022e-02 1.193e-02 CaMg(CO3)2
Calcite -2.393e-02 -2.567e-02 -2.144e-02 CaCO3
Anhydrite 2.288e-02 2.076e-02 2.348e-02 CaSO4
CH2O 4.138e-03 3.003e-03 5.273e-03 CH2O
Goethite 9.642e-04 6.533e-04 1.275e-03 FeOOH
Pyrite -9.648e-04 -1.274e-03 -6.553e-04 FeS2
MgX2 -7.652e-03 -8.576e-03 -6.972e-03 MgX2
NaX 1.530e-02 1.394e-02 1.715e-02 NaX
Halite 1.531e-02 1.429e-02 1.633e-02 NaCl
Sylvite 2.520e-03 2.392e-03 2.648e-03 KCl
Redox mole transfers:
Fe(3) 9.642e-04
H(0) -1.190e-09
S(-2) -2.190e-03
Sum of residuals (epsilons in documentation): 2.684e+00
Sum of delta/uncertainty limit: 4.711e+00
Maximum fractional error in element concentration: 5.000e-02
Model contains minimum number of phases.
===============================================================================
Solution 1: Recharge number 3
Input Delta Input+Delta
pH 7.550e+00 + 0.000e+00 = 7.550e+00
Alkalinity 4.016e-03 + 1.061e-04 = 4.122e-03
C(-4) 0.000e+00 + 0.000e+00 = 0.000e+00
C(4) 4.300e-03 + 1.136e-04 = 4.414e-03
Ca 1.200e-03 + 0.000e+00 = 1.200e-03
Cl 2.000e-05 + 0.000e+00 = 2.000e-05
Fe(2) 1.000e-06 + 0.000e+00 = 1.000e-06
Fe(3) 0.000e+00 + 0.000e+00 = 0.000e+00
H(0) 0.000e+00 + 0.000e+00 = 0.000e+00
K 2.000e-05 + 0.000e+00 = 2.000e-05
Mg 1.010e-03 + 0.000e+00 = 1.010e-03
Na 2.000e-05 + 0.000e+00 = 2.000e-05
O(0) 0.000e+00 + 0.000e+00 = 0.000e+00
S(-2) 0.000e+00 + 0.000e+00 = 0.000e+00
S(6) 1.600e-04 + 0.000e+00 = 1.600e-04
X 0.000e+00 + 0.000e+00 = 0.000e+00
13C(-4) -7 + 0 = -7
13C(4) -7 + 0 = -7
34S(-2) 9.7 + 0 = 9.7
34S(6) 9.7 + 0 = 9.7
Solution 2: Mysse
Input Delta Input+Delta
pH 6.610e+00 + 5.872e-02 = 6.669e+00
Alkalinity 5.258e-03 + 0.000e+00 = 5.258e-03
C(-4) 0.000e+00 + 0.000e+00 = 0.000e+00
C(4) 6.870e-03 + -2.581e-04 = 6.612e-03
Ca 1.128e-02 + 0.000e+00 = 1.128e-02
Cl 1.785e-02 + 0.000e+00 = 1.785e-02
Fe(2) 4.000e-07 + 0.000e+00 = 4.000e-07
Fe(3) 0.000e+00 + 0.000e+00 = 0.000e+00
H(0) 1.190e-09 + 0.000e+00 = 1.190e-09
K 2.540e-03 + 0.000e+00 = 2.540e-03
Mg 4.540e-03 + 0.000e+00 = 4.540e-03
Na 3.189e-02 + -1.256e-03 = 3.063e-02
O(0) 0.000e+00 + 0.000e+00 = 0.000e+00
S(-2) 2.600e-04 + 0.000e+00 = 2.600e-04
S(6) 1.986e-02 + 9.930e-04 = 2.085e-02
X 0.000e+00 + 0.000e+00 = 0.000e+00
13C(-4) -2.3 + 0 = -2.3
13C(4) -2.3 + 0 = -2.3
34S(-2) -22.1 + 0 = -22.1
34S(6) 16.3 + 0 = 16.3
Isotopic composition of phases:
13C Dolomite 3 + 2 = 5
13C Calcite -1.5 + -1 = -2.5
34S Anhydrite 13.5 + -0.119926 = 13.3801
13C CH2O -25 + 5 = -20
34S Pyrite -22 + 2 = -20
Solution fractions: Minimum Maximum
Solution 1 1.000e+00 1.000e+00 1.000e+00
Solution 2 1.000e+00 1.000e+00 1.000e+00
Phase mole transfers: Minimum Maximum
Dolomite 5.443e-03 4.995e-03 5.838e-03 CaMg(CO3)2
Calcite -1.214e-02 -1.333e-02 -1.098e-02 CaCO3
Anhydrite 2.252e-02 2.076e-02 2.297e-02 CaSO4
CH2O 3.455e-03 3.003e-03 4.297e-03 CH2O
Goethite 7.821e-04 6.533e-04 1.015e-03 FeOOH
Pyrite -7.827e-04 -1.014e-03 -6.553e-04 FeS2
Ca.75Mg.25X2 -7.652e-03 -8.576e-03 -6.972e-03 Ca.75Mg.25X2
NaX 1.530e-02 1.394e-02 1.715e-02 NaX
Halite 1.531e-02 1.429e-02 1.633e-02 NaCl
Sylvite 2.520e-03 2.392e-03 2.648e-03 KCl
Redox mole transfers:
Fe(3) 7.821e-04
H(0) -1.190e-09
S(-2) -1.825e-03
Sum of residuals (epsilons in documentation): 4.207e+00
Sum of delta/uncertainty limit: 8.243e+00
Maximum fractional error in element concentration: 5.000e-02
Model contains minimum number of phases.
===============================================================================
Summary of inverse modeling:
Number of models found: 2
Number of minimal models found: 2
Number of infeasible sets of phases saved: 28
Number of calls to cl1: 80
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End of simulation.
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Reading input data for simulation 2.
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End of run.
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