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
iphreeqc/ex16.out
Charlton, Scott R a9d1de8fa2 Updated output files (from windows)
2024-04-18 13:41:57 -06:00

467 lines
23 KiB
Plaintext
Raw Blame History

Input file: ../examples/ex16
Output file: ex16.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
CALCULATE_VALUES
RATES
END
------------------------------------
Reading input data for simulation 1.
------------------------------------
TITLE Example 16.--Inverse modeling of Sierra springs
SOLUTION_SPREAD
units mmol/L
Number pH Si Ca Mg Na K Alkalinity S(6) Cl
1 6.2 0.273 0.078 0.029 0.134 0.028 0.328 0.01 0.014
2 6.8 0.41 0.26 0.071 0.259 0.04 0.895 0.025 0.03
INVERSE_MODELING 1
solutions 1 2
uncertainty 0.025
range
phases
Halite
Gypsum
Kaolinite precip
Ca-montmorillonite precip
CO2(g)
Calcite
Chalcedony precip
Biotite dissolve
Plagioclase dissolve
balances
Ca 0.05 0.025
PHASES
Biotite
KMg3AlSi3O10(OH)2 + 6H+ + 4H2O = K+ + 3Mg+2 + Al(OH)4- + 3H4SiO4
log_k 0.0 # No log_k, Inverse modeling only
Plagioclase
Na0.62Ca0.38Al1.38Si2.62O8 + 5.52 H+ + 2.48H2O = 0.62Na+ + 0.38Ca+2 + 1.38Al+3 + 2.62H4SiO4
log_k 0.0 # No log_k, inverse modeling only
END
-----
TITLE
-----
Example 16.--Inverse modeling of Sierra springs
-------------------------------------------
Beginning of initial solution calculations.
-------------------------------------------
Initial solution 1.
-----------------------------Solution composition------------------------------
Elements Molality Moles
Alkalinity 3.280e-04 3.280e-04
Ca 7.800e-05 7.800e-05
Cl 1.400e-05 1.400e-05
K 2.800e-05 2.800e-05
Mg 2.900e-05 2.900e-05
Na 1.340e-04 1.340e-04
S(6) 1.000e-05 1.000e-05
Si 2.730e-04 2.730e-04
----------------------------Description of solution----------------------------
pH = 6.200
pe = 4.000
Specific Conductance (µS/cm, 25°C) = 38
Density (g/cm³) = 0.99708
Volume (L) = 1.00300
Viscosity (mPa s) = 0.89038
Activity of water = 1.000
Ionic strength (mol/kgw) = 4.851e-04
Mass of water (kg) = 1.000e+00
Total carbon (mol/kg) = 7.825e-04
Total CO2 (mol/kg) = 7.825e-04
Temperature (°C) = 25.00
Electrical balance (eq) = 1.400e-05
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 1.90
Iterations = 7
Total H = 1.110139e+02
Total O = 5.550924e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
H+ 6.465e-07 6.310e-07 -6.189 -6.200 -0.011 0.00
OH- 1.645e-08 1.604e-08 -7.784 -7.795 -0.011 -4.12
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 34.43
HCO3- 3.281e-04 3.200e-04 -3.484 -3.495 -0.011 24.57
CaHCO3+ 2.940e-07 2.868e-07 -6.532 -6.542 -0.011 9.66
MgHCO3+ 1.003e-07 9.778e-08 -6.999 -7.010 -0.011 5.47
NaHCO3 3.640e-08 3.641e-08 -7.439 -7.439 0.000 31.73
CO3-2 2.628e-08 2.379e-08 -7.580 -7.624 -0.043 -3.97
KHCO3 3.902e-09 3.902e-09 -8.409 -8.409 0.000 41.03
(CO2)2 3.783e-09 3.783e-09 -8.422 -8.422 0.000 68.87
CaCO3 2.806e-09 2.806e-09 -8.552 -8.552 0.000 -14.60
MgCO3 5.927e-10 5.927e-10 -9.227 -9.227 0.000 -17.09
Ca 7.800e-05
Ca+2 7.760e-05 7.023e-05 -4.110 -4.153 -0.043 -18.17
CaHCO3+ 2.940e-07 2.868e-07 -6.532 -6.542 -0.011 9.66
CaSO4 1.108e-07 1.108e-07 -6.955 -6.955 0.000 7.50
CaCO3 2.806e-09 2.806e-09 -8.552 -8.552 0.000 -14.60
CaOH+ 1.894e-11 1.847e-11 -10.723 -10.733 -0.011 (0)
CaHSO4+ 4.713e-13 4.596e-13 -12.327 -12.338 -0.011 (0)
Cl 1.400e-05
Cl- 1.400e-05 1.365e-05 -4.854 -4.865 -0.011 18.07
HCl 2.966e-12 2.967e-12 -11.528 -11.528 0.000 (0)
H(0) 5.636e-24
H2 2.818e-24 2.818e-24 -23.550 -23.550 0.000 28.61
K 2.800e-05
K+ 2.799e-05 2.730e-05 -4.553 -4.564 -0.011 9.00
KHCO3 3.902e-09 3.902e-09 -8.409 -8.409 0.000 41.03
KSO4- 3.777e-09 3.685e-09 -8.423 -8.434 -0.011 14.13
Mg 2.900e-05
Mg+2 2.884e-05 2.611e-05 -4.540 -4.583 -0.043 -21.86
MgHCO3+ 1.003e-07 9.778e-08 -6.999 -7.010 -0.011 5.47
MgSO4 6.066e-08 6.067e-08 -7.217 -7.217 0.000 -7.92
MgCO3 5.927e-10 5.927e-10 -9.227 -9.227 0.000 -17.09
MgOH+ 1.540e-10 1.503e-10 -9.812 -9.823 -0.011 (0)
Mg(SO4)2-2 1.957e-12 1.773e-12 -11.709 -11.751 -0.043 -8.04
Na 1.340e-04
Na+ 1.339e-04 1.306e-04 -3.873 -3.884 -0.011 -1.49
NaHCO3 3.640e-08 3.641e-08 -7.439 -7.439 0.000 31.73
NaSO4- 1.934e-08 1.887e-08 -7.713 -7.724 -0.011 -22.22
NaOH 2.095e-22 2.096e-22 -21.679 -21.679 0.000 (0)
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -45.280 -45.280 0.000 30.40
S(6) 1.000e-05
SO4-2 9.805e-06 8.873e-06 -5.009 -5.052 -0.043 15.25
CaSO4 1.108e-07 1.108e-07 -6.955 -6.955 0.000 7.50
MgSO4 6.066e-08 6.067e-08 -7.217 -7.217 0.000 -7.92
NaSO4- 1.934e-08 1.887e-08 -7.713 -7.724 -0.011 -22.22
KSO4- 3.777e-09 3.685e-09 -8.423 -8.434 -0.011 14.13
HSO4- 5.582e-10 5.443e-10 -9.253 -9.264 -0.011 40.27
Mg(SO4)2-2 1.957e-12 1.773e-12 -11.709 -11.751 -0.043 -8.04
CaHSO4+ 4.713e-13 4.596e-13 -12.327 -12.338 -0.011 (0)
Si 2.730e-04
H4SiO4 2.729e-04 2.730e-04 -3.564 -3.564 0.000 52.08
H3SiO4- 6.542e-08 6.379e-08 -7.184 -7.195 -0.011 27.96
H2SiO4-2 7.598e-15 6.877e-15 -14.119 -14.163 -0.043 (0)
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(298 K, 1 atm)
Anhydrite -4.93 -9.21 -4.28 CaSO4
Aragonite -3.44 -11.78 -8.34 CaCO3
Arcanite -12.30 -14.18 -1.88 K2SO4
Calcite -3.30 -11.78 -8.48 CaCO3
Chalcedony -0.01 -3.56 -3.55 SiO2
Chrysotile -15.88 16.32 32.20 Mg3Si2O5(OH)4
CO2(g) -1.87 -3.34 -1.47 CO2
Dolomite -6.90 -23.98 -17.08 CaMg(CO3)2
Epsomite -7.90 -9.64 -1.74 MgSO4:7H2O
Gypsum -4.62 -9.21 -4.58 CaSO4:2H2O
H2(g) -20.45 -23.55 -3.10 H2
H2O(g) -1.50 -0.00 1.50 H2O
Halite -10.32 -8.75 1.57 NaCl
Hexahydrite -8.07 -9.64 -1.57 MgSO4:6H2O
Kieserite -8.47 -9.64 -1.16 MgSO4:H2O
Mirabilite -11.58 -12.82 -1.24 Na2SO4:10H2O
O2(g) -42.39 -45.28 -2.89 O2
Quartz 0.42 -3.56 -3.98 SiO2
Sepiolite -10.82 4.94 15.76 Mg2Si3O7.5OH:3H2O
Sepiolite(d) -13.72 4.94 18.66 Mg2Si3O7.5OH:3H2O
SiO2(a) -0.85 -3.56 -2.71 SiO2
Sylvite -10.33 -9.43 0.90 KCl
Talc -12.20 9.20 21.40 Mg3Si4O10(OH)2
Thenardite -12.52 -12.82 -0.30 Na2SO4
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Initial solution 2.
-----------------------------Solution composition------------------------------
Elements Molality Moles
Alkalinity 8.951e-04 8.951e-04
Ca 2.600e-04 2.600e-04
Cl 3.000e-05 3.000e-05
K 4.000e-05 4.000e-05
Mg 7.101e-05 7.101e-05
Na 2.590e-04 2.590e-04
S(6) 2.500e-05 2.500e-05
Si 4.100e-04 4.100e-04
----------------------------Description of solution----------------------------
pH = 6.800
pe = 4.000
Specific Conductance (µS/cm, 25°C) = 97
Density (g/cm³) = 0.99712
Volume (L) = 1.00301
Viscosity (mPa s) = 0.89080
Activity of water = 1.000
Ionic strength (mol/kgw) = 1.313e-03
Mass of water (kg) = 1.000e+00
Total carbon (mol/kg) = 1.199e-03
Total CO2 (mol/kg) = 1.199e-03
Temperature (°C) = 25.00
Electrical balance (eq) = -1.400e-05
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.73
Iterations = 6 (13 overall)
Total H = 1.110150e+02
Total O = 5.551125e+01
----------------------------Distribution of species----------------------------
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 0.00
OH- 6.652e-08 6.386e-08 -7.177 -7.195 -0.018 -4.10
H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07
C(4) 1.199e-03
HCO3- 8.907e-04 8.558e-04 -3.050 -3.068 -0.017 24.58
CO2 3.049e-04 3.050e-04 -3.516 -3.516 0.000 34.43
CaHCO3+ 2.484e-06 2.387e-06 -5.605 -5.622 -0.017 9.68
MgHCO3+ 6.230e-07 5.982e-07 -6.206 -6.223 -0.018 5.48
CO3-2 2.971e-07 2.532e-07 -6.527 -6.597 -0.069 -3.92
NaHCO3 1.851e-07 1.852e-07 -6.733 -6.732 0.000 31.73
CaCO3 9.299e-08 9.302e-08 -7.032 -7.031 0.000 -14.60
KHCO3 1.467e-08 1.467e-08 -7.834 -7.834 0.000 41.03
MgCO3 1.443e-08 1.444e-08 -7.841 -7.841 0.000 -17.09
(CO2)2 1.706e-09 1.707e-09 -8.768 -8.768 0.000 68.87
Ca 2.600e-04
Ca+2 2.567e-04 2.187e-04 -3.591 -3.660 -0.070 -18.13
CaHCO3+ 2.484e-06 2.387e-06 -5.605 -5.622 -0.017 9.68
CaSO4 7.878e-07 7.880e-07 -6.104 -6.103 0.000 7.50
CaCO3 9.299e-08 9.302e-08 -7.032 -7.031 0.000 -14.60
CaOH+ 2.385e-10 2.290e-10 -9.623 -9.640 -0.018 (0)
CaHSO4+ 8.550e-13 8.209e-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 18.08
HCl 1.571e-12 1.573e-12 -11.804 -11.803 0.001 (0)
H(0) 3.555e-25
H2 1.778e-25 1.778e-25 -24.750 -24.750 0.000 28.61
K 4.000e-05
K+ 3.998e-05 3.838e-05 -4.398 -4.416 -0.018 9.01
KHCO3 1.467e-08 1.467e-08 -7.834 -7.834 0.000 41.03
KSO4- 1.231e-08 1.183e-08 -7.910 -7.927 -0.017 14.15
Mg 7.101e-05
Mg+2 7.005e-05 5.974e-05 -4.155 -4.224 -0.069 -21.81
MgHCO3+ 6.230e-07 5.982e-07 -6.206 -6.223 -0.018 5.48
MgSO4 3.168e-07 3.170e-07 -6.499 -6.499 0.000 -7.92
MgCO3 1.443e-08 1.444e-08 -7.841 -7.841 0.000 -17.09
MgOH+ 1.424e-09 1.369e-09 -8.847 -8.864 -0.017 (0)
Mg(SO4)2-2 2.476e-11 2.116e-11 -10.606 -10.675 -0.068 -3.36
Na 2.590e-04
Na+ 2.588e-04 2.485e-04 -3.587 -3.605 -0.018 -1.47
NaHCO3 1.851e-07 1.852e-07 -6.733 -6.732 0.000 31.73
NaSO4- 8.532e-08 8.198e-08 -7.069 -7.086 -0.017 -20.41
NaOH 1.587e-21 1.587e-21 -20.800 -20.799 0.000 (0)
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -42.880 -42.880 0.000 30.40
S(6) 2.500e-05
SO4-2 2.380e-05 2.026e-05 -4.623 -4.693 -0.070 15.76
CaSO4 7.878e-07 7.880e-07 -6.104 -6.103 0.000 7.50
MgSO4 3.168e-07 3.170e-07 -6.499 -6.499 0.000 -7.92
NaSO4- 8.532e-08 8.198e-08 -7.069 -7.086 -0.017 -20.41
KSO4- 1.231e-08 1.183e-08 -7.910 -7.927 -0.017 14.15
HSO4- 3.252e-10 3.123e-10 -9.488 -9.505 -0.018 40.28
Mg(SO4)2-2 2.476e-11 2.116e-11 -10.606 -10.675 -0.068 -3.36
CaHSO4+ 8.550e-13 8.209e-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 52.08
H3SiO4- 3.970e-07 3.812e-07 -6.401 -6.419 -0.018 27.98
H2SiO4-2 1.920e-13 1.636e-13 -12.717 -12.786 -0.069 (0)
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(298 K, 1 atm)
Anhydrite -4.08 -8.35 -4.28 CaSO4
Aragonite -1.92 -10.26 -8.34 CaCO3
Arcanite -11.65 -13.53 -1.88 K2SO4
Calcite -1.78 -10.26 -8.48 CaCO3
Chalcedony 0.16 -3.39 -3.55 SiO2
Chrysotile -10.85 21.35 32.20 Mg3Si2O5(OH)4
CO2(g) -2.05 -3.52 -1.47 CO2
Dolomite -3.99 -21.08 -17.08 CaMg(CO3)2
Epsomite -7.18 -8.92 -1.74 MgSO4:7H2O
Gypsum -3.77 -8.35 -4.58 CaSO4:2H2O
H2(g) -21.65 -24.75 -3.10 H2
H2O(g) -1.50 -0.00 1.50 H2O
Halite -9.72 -8.15 1.57 NaCl
Hexahydrite -7.35 -8.92 -1.57 MgSO4:6H2O
Kieserite -7.76 -8.92 -1.16 MgSO4:H2O
Mirabilite -10.66 -11.90 -1.24 Na2SO4:10H2O
O2(g) -39.99 -42.88 -2.89 O2
Quartz 0.59 -3.39 -3.98 SiO2
Sepiolite -7.17 8.59 15.76 Mg2Si3O7.5OH:3H2O
Sepiolite(d) -10.07 8.59 18.66 Mg2Si3O7.5OH:3H2O
SiO2(a) -0.68 -3.39 -2.71 SiO2
Sylvite -9.86 -8.96 0.90 KCl
Talc -6.82 14.58 21.40 Mg3Si4O10(OH)2
Thenardite -11.60 -11.90 -0.30 Na2SO4
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
---------------------------------------------
Beginning of inverse modeling 1 calculations.
---------------------------------------------
Using Cl1 standard precision optimization routine.
Solution 1:
Input Delta Input+Delta
pH 6.200e+00 + 0.000e+00 = 6.200e+00
Al 0.000e+00 + 0.000e+00 = 0.000e+00
Alkalinity 3.280e-04 + 8.200e-06 = 3.362e-04
C(-4) 0.000e+00 + 0.000e+00 = 0.000e+00
C(4) 7.825e-04 + 0.000e+00 = 7.825e-04
Ca 7.800e-05 + -2.550e-06 = 7.545e-05
Cl 1.400e-05 + 0.000e+00 = 1.400e-05
H(0) 0.000e+00 + 0.000e+00 = 0.000e+00
K 2.800e-05 + -7.000e-07 = 2.730e-05
Mg 2.900e-05 + 0.000e+00 = 2.900e-05
Na 1.340e-04 + 0.000e+00 = 1.340e-04
O(0) 0.000e+00 + 0.000e+00 = 0.000e+00
S(-2) 0.000e+00 + 0.000e+00 = 0.000e+00
S(6) 1.000e-05 + 0.000e+00 = 1.000e-05
Si 2.730e-04 + 0.000e+00 = 2.730e-04
Solution 2:
Input Delta Input+Delta
pH 6.800e+00 + 0.000e+00 = 6.800e+00
Al 0.000e+00 + 0.000e+00 = 0.000e+00
Alkalinity 8.951e-04 + -1.480e-05 = 8.803e-04
C(-4) 0.000e+00 + 0.000e+00 = 0.000e+00
C(4) 1.199e-03 + 0.000e+00 = 1.199e-03
Ca 2.600e-04 + 0.000e+00 = 2.600e-04
Cl 3.000e-05 + 0.000e+00 = 3.000e-05
H(0) 0.000e+00 + 0.000e+00 = 0.000e+00
K 4.000e-05 + 1.000e-06 = 4.100e-05
Mg 7.101e-05 + -8.979e-07 = 7.011e-05
Na 2.590e-04 + 0.000e+00 = 2.590e-04
O(0) 0.000e+00 + 0.000e+00 = 0.000e+00
S(-2) 0.000e+00 + 0.000e+00 = 0.000e+00
S(6) 2.500e-05 + 0.000e+00 = 2.500e-05
Si 4.100e-04 + 0.000e+00 = 4.100e-04
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 Formula (Approximate SI in solution 1, 2 at 298 K, 1 atm)
Halite 1.600e-05 1.490e-05 1.710e-05 NaCl (-10.32, -9.72)
Gypsum 1.500e-05 1.413e-05 1.588e-05 CaSO4:2H2O ( -4.62, -3.77)
Kaolinite -3.392e-05 -5.587e-05 -1.224e-05 Al2Si2O5(OH)4 ( , )
Ca-Montmorillon -8.090e-05 -1.100e-04 -5.154e-05 Ca0.165Al2.33Si3.67O10(OH ( , )
CO2(g) 3.006e-04 2.363e-04 3.656e-04 CO2 ( -1.87, -2.05)
Calcite 1.161e-04 1.007e-04 1.309e-04 CaCO3 ( -3.30, -1.78)
Biotite 1.370e-05 1.317e-05 1.370e-05 KMg3AlSi3O10(OH)2 ( , )
Plagioclase 1.758e-04 1.582e-04 1.935e-04 Na0.62Ca0.38Al1.38Si2.62O ( , )
Redox mole transfers:
Sum of residuals (epsilons in documentation): 4.821e+00
Sum of delta/uncertainty limit: 4.821e+00
Maximum fractional error in element concentration: 3.269e-02
Model contains minimum number of phases.
===============================================================================
Solution 1:
Input Delta Input+Delta
pH 6.200e+00 + 0.000e+00 = 6.200e+00
Al 0.000e+00 + 0.000e+00 = 0.000e+00
Alkalinity 3.280e-04 + 8.200e-06 = 3.362e-04
C(-4) 0.000e+00 + 0.000e+00 = 0.000e+00
C(4) 7.825e-04 + 0.000e+00 = 7.825e-04
Ca 7.800e-05 + -2.550e-06 = 7.545e-05
Cl 1.400e-05 + 0.000e+00 = 1.400e-05
H(0) 0.000e+00 + 0.000e+00 = 0.000e+00
K 2.800e-05 + -7.000e-07 = 2.730e-05
Mg 2.900e-05 + 0.000e+00 = 2.900e-05
Na 1.340e-04 + 0.000e+00 = 1.340e-04
O(0) 0.000e+00 + 0.000e+00 = 0.000e+00
S(-2) 0.000e+00 + 0.000e+00 = 0.000e+00
S(6) 1.000e-05 + 0.000e+00 = 1.000e-05
Si 2.730e-04 + 0.000e+00 = 2.730e-04
Solution 2:
Input Delta Input+Delta
pH 6.800e+00 + 0.000e+00 = 6.800e+00
Al 0.000e+00 + 0.000e+00 = 0.000e+00
Alkalinity 8.951e-04 + -1.480e-05 = 8.803e-04
C(-4) 0.000e+00 + 0.000e+00 = 0.000e+00
C(4) 1.199e-03 + 0.000e+00 = 1.199e-03
Ca 2.600e-04 + 0.000e+00 = 2.600e-04
Cl 3.000e-05 + 0.000e+00 = 3.000e-05
H(0) 0.000e+00 + 0.000e+00 = 0.000e+00
K 4.000e-05 + 1.000e-06 = 4.100e-05
Mg 7.101e-05 + -8.980e-07 = 7.011e-05
Na 2.590e-04 + 0.000e+00 = 2.590e-04
O(0) 0.000e+00 + 0.000e+00 = 0.000e+00
S(-2) 0.000e+00 + 0.000e+00 = 0.000e+00
S(6) 2.500e-05 + 0.000e+00 = 2.500e-05
Si 4.100e-04 + 0.000e+00 = 4.100e-04
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 Formula (Approximate SI in solution 1, 2 at 298 K, 1 atm)
Halite 1.600e-05 1.490e-05 1.710e-05 NaCl (-10.32, -9.72)
Gypsum 1.500e-05 1.413e-05 1.588e-05 CaSO4:2H2O ( -4.62, -3.77)
Kaolinite -1.282e-04 -1.403e-04 -1.159e-04 Al2Si2O5(OH)4 ( , )
CO2(g) 3.140e-04 2.490e-04 3.795e-04 CO2 ( -1.87, -2.05)
Calcite 1.028e-04 8.680e-05 1.182e-04 CaCO3 ( -3.30, -1.78)
Chalcedony -1.084e-04 -1.473e-04 -6.906e-05 SiO2 ( -0.01, 0.16)
Biotite 1.370e-05 1.317e-05 1.370e-05 KMg3AlSi3O10(OH)2 ( , )
Plagioclase 1.758e-04 1.582e-04 1.935e-04 Na0.62Ca0.38Al1.38Si2.62O ( , )
Redox mole transfers:
Sum of residuals (epsilons in documentation): 4.821e+00
Sum of delta/uncertainty limit: 4.821e+00
Maximum fractional error in element concentration: 3.269e-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: 20
Number of calls to cl1: 62
------------------
End of simulation.
------------------
------------------------------------
Reading input data for simulation 2.
------------------------------------
Reference in New Issue View Git Blame Copy Permalink