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Input file: C:\Program Files\USGS\Phreeqc Interactive 3.3.5-10806\database\raswan.

pqi
Output file: C:\Program Files\USGS\Phreeqc Interactive 3.3.5-10806\database\raswan.pqo
Database file: C:\Program Files\USGS\Phreeqc Interactive 3.3.5-10806\database\llnl.dat

------------------
Reading data base.
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LLNL_AQUEOUS_MODEL_PARAMETERS
NAMED_EXPRESSIONS
SOLUTION_MASTER_SPECIES
SOLUTION_SPECIES
PHASES
EXCHANGE_MASTER_SPECIES
EXCHANGE_SPECIES
SURFACE_MASTER_SPECIES
SURFACE_SPECIES
RATES
END
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Reading input data for simulation 1.
------------------------------------

DATABASE C:\Program Files\USGS\Phreeqc Interactive 3.3.5-10806\database\llnl.dat


SOLUTION 1 raswan
temp 25
pH 7
pe 4
redox pe
units mg/l
density 1
water 1 # kg
SOLUTION 2 raswan
temp 27
pH 7.12
pe 4
redox pe
units mg/l
density 1
Al 0.106
C(4) 35.87
Ca 117.5
Fe 0.03
K 27.1
Mg 289.6
Mn 10.3
Na 145
S(6) 1960
water 0.26 # kg
INVERSE_MODELING 1
solutions 1 2
uncertainty -1 -1
phases
Arsenolite
Calcite
Chalcocite
Chalcocyanite
Chalcopyrite
Covellite
K-Feldspar
Galena
Gypsum
Hematite
Kaolinite
Magnetite
Muscovite
Pyrite
Ca-Al_Pyroxene
Quartz
Sphalerite
balances
Al -1 -1
C(4) -1 -1
Ca -1 -1
Fe -1 -1
K -1 -1
Mg -1 -1
Mn -1 -1
Na -1 -1
S(6) -1 -1
range 1000
minimal
tolerance 1e-010
mineral_water true
multiple_precision true
mp_tolerance 1e-012
censor_mp 1e-020
-------------------------------------------
Beginning of initial solution calculations.
-------------------------------------------
Initial solu raswan

-----------------------------Solution composition------------------------------

Elements Molality Moles

Pure water

----------------------------Description of solution----------------------------

pH = 7.000
pe = 4.000
Activity of water = 1.000
Ionic strength = 9.823e-08
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = -3.654e-09
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (°C) = 25.00
Electrical balance (eq) = 3.654e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 1.86
Iterations = 0
Total H = 1.110507e+02
Total O = 5.552533e+01

----------------------------Distribution of species----------------------------

Log Log Log mole V


Species Molality Activity Molality Activity Gamma cm³/mol

H+ 1.001e-07 1.000e-07 -7.000 -7.000 -0.000 0.00


OH- 9.640e-08 9.636e-08 -7.016 -7.016 -0.000 (0)
H2O 5.553e+01 1.000e+00 1.744 0.000 0.000 18.07
H(0) 1.587e-25
H2 7.935e-26 7.935e-26 -25.100 -25.100 0.000 (0)
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -41.995 -41.995 0.000 (0)

------------------------------Saturation indices-------------------------------

Phase SI** log IAP log K(298 K, 1 atm)

H2(g) -22.00 -25.10 -3.10 H2


H2O(g) -1.59 0.00 1.59 H2O
Ice -0.14 0.00 0.14 H2O
O2(g) -39.10 -42.00 -2.89 O2

**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.


For ideal gases, phi = 1.

Initial solu raswan

-----------------------------Solution composition------------------------------

Elements Molality Moles

Al 3.939e-06 1.024e-06
C(4) 5.895e-04 1.533e-04
Ca 2.939e-03 7.642e-04
Fe 5.386e-07 1.400e-07
K 6.949e-04 1.807e-04
Mg 1.195e-02 3.106e-03
Mn 1.880e-04 4.887e-05
Na 6.323e-03 1.644e-03
S(6) 2.046e-02 5.320e-03

----------------------------Description of solution----------------------------

pH = 7.120
pe = 4.000
Activity of water = 0.999
Ionic strength = 4.776e-02
Mass of water (kg) = 2.600e-01
Total alkalinity (eq/kg) = 5.388e-04
Total CO2 (mol/kg) = 5.895e-04
Temperature (°C) = 27.00
Electrical balance (eq) = -1.113e-03
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -8.31
Iterations = 8
Total H = 2.887330e+01
Total O = 1.445831e+01

----------------------------Distribution of species----------------------------

Log Log Log mole V


Species Molality Activity Molality Activity Gamma cm³/mol

OH- 1.802e-07 1.473e-07 -6.744 -6.832 -0.088 (0)


H+ 8.834e-08 7.586e-08 -7.054 -7.120 -0.066 0.00
H2O 5.553e+01 9.994e-01 1.744 -0.000 0.000 18.08
Al 3.939e-06
AlO2- 3.350e-06 2.753e-06 -5.475 -5.560 -0.085 (0)
HAlO2 5.538e-07 5.538e-07 -6.257 -6.257 0.000 (0)
Al(OH)2+ 3.101e-08 2.549e-08 -7.509 -7.594 -0.085 (0)
NaAlO2 2.694e-09 2.694e-09 -8.570 -8.570 0.000 (0)
AlOH+2 1.589e-09 7.312e-10 -8.799 -9.136 -0.337 (0)
AlSO4+ 3.294e-11 2.707e-11 -10.482 -10.567 -0.085 (0)
Al+3 1.769e-11 4.332e-12 -10.752 -11.363 -0.611 (0)
Al(SO4)2- 1.562e-11 1.284e-11 -10.806 -10.892 -0.085 (0)
Al13O4(OH)24+7 1.652e-15 2.397e-19 -14.782 -18.620 -3.838 (0)
Al2(OH)2+4 1.279e-15 6.648e-17 -14.893 -16.177 -1.284 (0)
Al3(OH)4+5 2.925e-18 3.226e-20 -17.534 -19.491 -1.957 (0)
C(4) 5.895e-04
HCO3- 4.909e-04 4.035e-04 -3.309 -3.394 -0.085 (0)
CO2 6.854e-05 6.934e-05 -4.164 -4.159 0.005 (0)
MgHCO3+ 1.883e-05 1.548e-05 -4.725 -4.810 -0.085 (0)
CaHCO3+ 5.804e-06 4.770e-06 -5.236 -5.321 -0.085 (0)
NaHCO3 2.777e-06 2.777e-06 -5.556 -5.556 0.000 (0)
MgCO3 8.738e-07 8.738e-07 -6.059 -6.059 0.000 (0)
CaCO3 5.899e-07 5.899e-07 -6.229 -6.229 0.000 (0)
CO3-2 5.327e-07 2.451e-07 -6.274 -6.611 -0.337 (0)
MnCO3 4.302e-07 4.302e-07 -6.366 -6.366 0.000 (0)
MnHCO3+ 1.946e-07 1.600e-07 -6.711 -6.796 -0.085 (0)
FeHCO3+ 2.277e-08 1.871e-08 -7.643 -7.728 -0.085 (0)
NaCO3- 4.930e-09 4.052e-09 -8.307 -8.392 -0.085 (0)
FeCO3 1.184e-09 1.184e-09 -8.927 -8.927 0.000 (0)
FeCO3+ 1.310e-13 1.076e-13 -12.883 -12.968 -0.085 (0)
Ca 2.939e-03
Ca+2 2.032e-03 9.920e-04 -2.692 -3.004 -0.312 (0)
CaSO4 9.005e-04 9.005e-04 -3.045 -3.045 0.000 (0)
CaHCO3+ 5.804e-06 4.770e-06 -5.236 -5.321 -0.085 (0)
CaCO3 5.899e-07 5.899e-07 -6.229 -6.229 0.000 (0)
CaOH+ 2.246e-09 1.846e-09 -8.649 -8.734 -0.085 (0)
Fe(2) 2.910e-07
Fe+2 1.810e-07 8.836e-08 -6.742 -7.054 -0.312 (0)
FeSO4 8.553e-08 8.553e-08 -7.068 -7.068 0.000 (0)
FeHCO3+ 2.277e-08 1.871e-08 -7.643 -7.728 -0.085 (0)
FeCO3 1.184e-09 1.184e-09 -8.927 -8.927 0.000 (0)
FeOH+ 4.479e-10 3.681e-10 -9.349 -9.434 -0.085 (0)
Fe(OH)2 3.852e-14 3.852e-14 -13.414 -13.414 0.000 (0)
Fe(OH)3- 2.458e-17 2.021e-17 -16.609 -16.695 -0.085 (0)
Fe(OH)4-2 5.912e-25 2.662e-25 -24.228 -24.575 -0.347 (0)
Fe(3) 2.476e-07
Fe(OH)3 2.061e-07 2.061e-07 -6.686 -6.686 0.000 (0)
Fe(OH)2+ 4.069e-08 3.344e-08 -7.391 -7.476 -0.085 (0)
Fe(OH)4- 8.297e-10 6.819e-10 -9.081 -9.166 -0.085 (0)
FeOH+2 1.666e-11 7.666e-12 -10.778 -11.115 -0.337 (0)
FeCO3+ 1.310e-13 1.076e-13 -12.883 -12.968 -0.085 (0)
Fe+3 3.680e-16 9.012e-17 -15.434 -16.045 -0.611 (0)
FeSO4+ 6.999e-17 5.752e-17 -16.155 -16.240 -0.085 (0)
Fe(SO4)2- 6.690e-18 5.498e-18 -17.175 -17.260 -0.085 (0)
Fe2(OH)2+4 3.044e-20 1.582e-21 -19.517 -20.801 -1.284 (0)
Fe3(OH)4+5 1.002e-24 1.105e-26 -23.999 -25.957 -1.957 (0)
H(0) 9.924e-26
H2 4.962e-26 5.019e-26 -25.304 -25.299 0.005 (0)
K 6.949e-04
K+ 6.624e-04 5.380e-04 -3.179 -3.269 -0.090 (0)
KSO4- 3.257e-05 2.677e-05 -4.487 -4.572 -0.085 (0)
KOH 2.458e-11 2.458e-11 -10.609 -10.609 0.000 (0)
KHSO4 1.929e-12 1.929e-12 -11.715 -11.715 0.000 (0)
Mg 1.195e-02
Mg+2 6.290e-03 3.279e-03 -2.201 -2.484 -0.283 (0)
MgSO4 5.637e-03 5.637e-03 -2.249 -2.249 0.000 (0)
MgHCO3+ 1.883e-05 1.548e-05 -4.725 -4.810 -0.085 (0)
MgCO3 8.738e-07 8.738e-07 -6.059 -6.059 0.000 (0)
Mg4(OH)4+4 1.192e-20 6.192e-22 -19.924 -21.208 -1.284 (0)
Mn(2) 1.880e-04
Mn+2 1.067e-04 5.207e-05 -3.972 -4.283 -0.312 (0)
MnSO4 8.064e-05 8.064e-05 -4.093 -4.093 0.000 (0)
MnCO3 4.302e-07 4.302e-07 -6.366 -6.366 0.000 (0)
MnHCO3+ 1.946e-07 1.600e-07 -6.711 -6.796 -0.085 (0)
MnOH+ 2.145e-08 1.763e-08 -7.669 -7.754 -0.085 (0)
Mn2(OH)3+ 9.495e-12 7.804e-12 -11.023 -11.108 -0.085 (0)
Mn2OH+3 5.415e-12 9.837e-13 -11.266 -12.007 -0.741 (0)
Mn(OH)2 5.702e-13 5.702e-13 -12.244 -12.244 0.000 (0)
Mn(OH)3- 8.573e-18 7.046e-18 -17.067 -17.152 -0.085 (0)
Mn(OH)4-2 1.746e-24 7.861e-25 -23.758 -24.105 -0.347 (0)
Mn(3) 8.866e-26
Mn+3 8.866e-26 1.611e-26 -25.052 -25.793 -0.741 (0)
Mn(6) 0.000e+00
MnO4-2 0.000e+00 0.000e+00 -48.689 -49.035 -0.347 (0)
Mn(7) 0.000e+00
MnO4- 0.000e+00 0.000e+00 -54.195 -54.282 -0.088 (0)
Na 6.323e-03
Na+ 6.076e-03 4.994e-03 -2.216 -2.302 -0.085 (0)
NaSO4- 2.452e-04 2.015e-04 -3.611 -3.696 -0.085 (0)
NaHCO3 2.777e-06 2.777e-06 -5.556 -5.556 0.000 (0)
NaCO3- 4.930e-09 4.052e-09 -8.307 -8.392 -0.085 (0)
NaAlO2 2.694e-09 2.694e-09 -8.570 -8.570 0.000 (0)
NaOH 1.264e-10 1.264e-10 -9.898 -9.898 0.000 (0)
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -40.959 -40.954 0.005 (0)
S(6) 2.046e-02
SO4-2 1.356e-02 6.108e-03 -1.868 -2.214 -0.347 (0)
MgSO4 5.637e-03 5.637e-03 -2.249 -2.249 0.000 (0)
CaSO4 9.005e-04 9.005e-04 -3.045 -3.045 0.000 (0)
NaSO4- 2.452e-04 2.015e-04 -3.611 -3.696 -0.085 (0)
MnSO4 8.064e-05 8.064e-05 -4.093 -4.093 0.000 (0)
KSO4- 3.257e-05 2.677e-05 -4.487 -4.572 -0.085 (0)
FeSO4 8.553e-08 8.553e-08 -7.068 -7.068 0.000 (0)
HSO4- 6.026e-08 4.953e-08 -7.220 -7.305 -0.085 (0)
AlSO4+ 3.294e-11 2.707e-11 -10.482 -10.567 -0.085 (0)
Al(SO4)2- 1.562e-11 1.284e-11 -10.806 -10.892 -0.085 (0)
KHSO4 1.929e-12 1.929e-12 -11.715 -11.715 0.000 (0)
FeSO4+ 6.999e-17 5.752e-17 -16.155 -16.240 -0.085 (0)
Fe(SO4)2- 6.690e-18 5.498e-18 -17.175 -17.260 -0.085 (0)
H2SO4 3.349e-18 3.349e-18 -17.475 -17.475 0.000 (0)

------------------------------Saturation indices-------------------------------

Phase SI** log IAP log K(300 K, 1 atm)

Al -108.08 40.71 148.79 Al


Al(g) -158.40 40.71 199.11 Al
Al2(SO4)3 -47.84 -29.37 18.47 Al2(SO4)3
Al2(SO4)3:6H2O -30.68 -29.37 1.31 Al2(SO4)3:6H2O
Alum-K -14.11 -19.06 -4.96 KAl(SO4)2:12H2O
Alunite 1.67 0.93 -0.74 KAl3(OH)6(SO4)2
Anhydrite -0.85 -5.22 -4.37 CaSO4
Aphthitalite -12.65 -16.54 -3.89 NaK3(SO4)2
Aragonite -1.22 0.72 1.94 CaCO3
Arcanite -6.94 -8.75 -1.82 K2SO4
Artinite -6.48 13.00 19.47 Mg2CO3(OH)2:3H2O
Bassanite -1.49 -5.22 -3.73 CaSO4:0.5H2O
Birnessite -54.50 -140.05 -85.55 Mn8O14:5H2O
Bixbyite -7.68 -8.87 -1.19 Mn2O3
Bloedite -9.04 -11.52 -2.48 Na2Mg(SO4)2:4H2O
Boehmite 2.58 10.00 7.42 AlO2H
Brucite -4.40 11.76 16.15 Mg(OH)2
Burkeite -24.00 -14.51 9.49 Na6CO3(SO4)2
C -33.25 30.44 63.69 C
C(g) -150.03 30.44 180.47 C
Ca -107.16 31.71 138.87 Ca
Ca(g) -132.19 31.71 163.90 Ca
Ca2Al2O5:8H2O -17.11 42.46 59.57 Ca2Al2O5:8H2O
Ca3Al2O6 -58.36 53.70 112.06 Ca3Al2O6
Ca4Al2Fe2O10 -63.59 75.57 139.15 Ca4Al2Fe2O10
Ca4Al2O7:13H2O -42.32 64.93 107.25 Ca4Al2O7:13H2O
Ca4Al2O7:19H2O -38.75 64.93 103.68 Ca4Al2O7:19H2O
CaAl2O4 -15.17 31.23 46.40 CaAl2O4
CaAl2O4:10H2O -6.77 31.23 37.99 CaAl2O4:10H2O
CaAl4O7 -16.53 51.22 67.75 CaAl4O7
Calcite -1.07 0.72 1.79 CaCO3
CaSO4:0.5H2O(beta) -1.66 -5.22 -3.56 CaSO4:0.5H2O
CO2(g) -2.67 -10.51 -7.84 CO2
Corundum 2.00 19.99 17.99 Al2O3
Dawsonite 0.05 4.30 4.25 NaAlCO3(OH)2
Diaspore 2.98 10.00 7.02 AlHO2
Dolomite -0.44 1.96 2.40 CaMg(CO3)2
Dolomite-dis -1.96 1.96 3.93 CaMg(CO3)2
Dolomite-ord -0.43 1.96 2.39 CaMg(CO3)2
Epsomite -2.74 -4.70 -1.96 MgSO4:7H2O
Ettringite -23.98 38.04 62.02 Ca6Al2(SO4)3(OH)12:26H2O
Fe -30.92 27.66 58.58 Fe
Fe(OH)2 -6.60 7.19 13.78 Fe(OH)2
Fe(OH)3 -0.23 5.31 5.54 Fe(OH)3
Fe2(SO4)3 -41.48 -38.73 2.75 Fe2(SO4)3
FeO -6.21 7.19 13.40 FeO
Ferrite-Ca 0.68 21.87 21.19 CaFe2O4
Ferrite-Dicalcium -23.14 33.10 56.24 Ca2Fe2O5
Ferrite-Mg 1.69 22.38 20.69 MgFe2O4
FeSO4 -11.79 -9.27 2.52 FeSO4
Gaylussite -11.32 -0.16 11.16 CaNa2(CO3)2:5H2O
Gibbsite 2.38 10.00 7.62 Al(OH)3
Glauberite -6.57 -12.03 -5.47 Na2Ca(SO4)2
Goethite 4.86 5.31 0.46 FeOOH
Gypsum -0.68 -5.22 -4.53 CaSO4:2H2O
H2(g) -22.19 -25.30 -3.11 H2
H2O(g) -1.53 -0.00 1.53 H2O
Hausmannite -8.74 1.09 9.83 Mn3O4
Hematite 10.71 10.63 -0.08 Fe2O3
Hercynite -1.22 27.18 28.40 FeAl2O4
Hexahydrite -2.97 -4.70 -1.73 MgSO4:6H2O
Huntite -5.57 4.45 10.02 CaMg3(CO3)4
Hydromagnesite -13.67 16.72 30.39 Mg5(CO3)4(OH)2:4H2O
Ice -0.15 -0.00 0.15 H2O
Jarosite -3.48 -13.11 -9.63 KFe3(SO4)2(OH)6
Jarosite-Na -6.70 -12.15 -5.45 NaFe3(SO4)2(OH)6
K -56.43 14.09 70.52 K
K(g) -66.93 14.09 81.02 K
K2CO3:1.5H2O -16.19 -2.81 13.38 K2CO3:1.5H2O
K2O -75.84 7.70 83.54 K2O
K3H(SO4)2 -17.73 -21.36 -3.62 K3H(SO4)2
K8H4(CO3)6:3H2O -59.99 -32.28 27.71 K8H4(CO3)6:3H2O
KAl(SO4)2 -22.17 -19.06 3.11 KAl(SO4)2
Kalicinite -6.95 -6.66 0.28 KHCO3
Katoite -25.24 53.70 78.94 Ca3Al2H12O12
Kieserite -4.43 -4.70 -0.27 MgSO4:H2O
KNaCO3:6H2O -12.11 -1.85 10.26 KNaCO3:6H2O
Lansfordite -3.60 1.24 4.84 MgCO3:5H2O
Leonite -9.34 -13.45 -4.11 K2Mg(SO4)2:4H2O
Lime -21.11 11.24 32.34 CaO
Magnesite -0.98 1.24 2.22 MgCO3
Magnetite 7.65 17.81 10.16 Fe3O4
Manganite -4.27 -4.43 -0.16 MnO(OH)
Manganosite -7.82 9.96 17.77 MnO
Mayenite -214.64 274.78 489.42 Ca12Al14O33
Melanterite -6.88 -9.27 -2.39 FeSO4:7H2O
Mercallite -11.16 -12.60 -1.44 KHSO4
Mg -89.42 32.23 121.65 Mg
Mg(g) -108.97 32.23 141.20 Mg
Mg1.25SO4(OH)0.5:0.5H2O -6.84 -1.76 5.08 Mg1.25SO4(OH)0.5:0.5H2O
Mg1.5SO4(OH) -7.88 1.18 9.06 Mg1.5SO4(OH)
MgSO4 -9.42 -4.70 4.72 MgSO4
Mirabilite -5.76 -6.82 -1.06 Na2SO4:10H2O
Misenite -73.30 -84.37 -11.08 K8H6(SO4)7
Mn -51.92 30.43 82.35 Mn
Mn(OH)2(am) -5.24 9.96 15.19 Mn(OH)2
Mn(OH)3 -10.77 -4.43 6.34 Mn(OH)3
MnO2(gamma) -10.53 -26.66 -16.13 MnO2
MnSO4 -9.03 -6.50 2.53 MnSO4
Monohydrocalcite -1.93 0.72 2.65 CaCO3:H2O
Na -51.87 15.06 66.93 Na
Na(g) -65.23 15.06 80.29 Na
Na2CO3 -11.99 -0.88 11.12 Na2CO3
Na2CO3:7H2O -10.85 -0.88 9.97 Na2CO3:7H2O
Na2O -57.37 9.64 67.01 Na2O
Na3H(SO4)2 -17.56 -18.45 -0.89 Na3H(SO4)2
Na4Ca(SO4)3:2H2O -12.96 -18.85 -5.89 Na4Ca(SO4)3:2H2O
NaFeO2 -9.56 10.13 19.69 NaFeO2
Nahcolite -5.57 -5.70 -0.12 NaHCO3
Natron -10.53 -0.88 9.65 Na2CO3:10H2O
Nesquehonite -4.00 1.24 5.24 MgCO3:3H2O
O2(g) -38.05 -40.95 -2.91 O2
Pentahydrite -3.31 -4.70 -1.39 MgSO4:5H2O
Periclase -9.39 11.76 21.15 MgO
Picromerite -9.01 -13.45 -4.44 K2Mg(SO4)2:6H2O
Pirssonite -11.48 -0.16 11.32 Na2Ca(CO3)2:2H2O
Polyhalite -9.57 -23.89 -14.31 K2MgCa2(SO4)4:2H2O
Portlandite -11.16 11.24 22.40 Ca(OH)2
Pyrolusite -9.09 -26.66 -17.57 MnO2
Rhodochrosite -0.31 -0.56 -0.24 MnCO3
Siderite -3.07 -3.33 -0.26 FeCO3
Spinel -5.39 31.75 37.14 Al2MgO4
Starkeyite -3.70 -4.70 -1.00 MgSO4:4H2O
Syngenite -6.37 -13.97 -7.60 K2Ca(SO4)2:H2O
Thenardite -6.46 -6.82 -0.36 Na2SO4
Thermonatrite -11.78 -0.88 10.90 Na2CO3:H2O
Todorokite -44.05 -89.88 -45.82 Mn7O12:3H2O
Trona-K -20.10 -8.51 11.59 K2NaH(CO3)2:2H2O
Wustite -5.68 6.61 12.28 Fe.947O

**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.


For ideal gases, phi = 1.

---------------------------------------------
Beginning of inverse modeling 1 calculations.
---------------------------------------------

Using Cl1MP multiprecision optimization routine.

Solution 1: raswan

Input Delta Input+Delta


pH 7.000e+00 + 0.000e+00 = 7.000e+00
Al 0.000e+00 + 3.939e-06 = 3.939e-06
Alkalinity -3.654e-09 + 0.000e+00 = -3.654e-09
As(-3) 0.000e+00 + 0.000e+00 = 0.000e+00
As(3) 0.000e+00 + 0.000e+00 = 0.000e+00
As(5) 0.000e+00 + 0.000e+00 = 0.000e+00
C(-2) 0.000e+00 + 0.000e+00 = 0.000e+00
C(-3) 0.000e+00 + 0.000e+00 = 0.000e+00
C(-4) 0.000e+00 + 0.000e+00 = 0.000e+00
C(2) 0.000e+00 + 0.000e+00 = 0.000e+00
C(4) 0.000e+00 + 5.896e-04 = 5.896e-04
Ca 0.000e+00 + 2.939e-03 = 2.939e-03
Cu(1) 0.000e+00 + 0.000e+00 = 0.000e+00
Cu(2) 0.000e+00 + 0.000e+00 = 0.000e+00
Fe(2) 0.000e+00 + 2.910e-07 = 2.910e-07
Fe(3) 0.000e+00 + 2.476e-07 = 2.476e-07
H(0) 0.000e+00 + 0.000e+00 = 0.000e+00
K 0.000e+00 + 6.949e-04 = 6.949e-04
Mg 0.000e+00 + 1.195e-02 = 1.195e-02
Mn(2) 0.000e+00 + 0.000e+00 = 0.000e+00
Mn(3) 0.000e+00 + 5.899e-06 = 5.899e-06
Mn(6) 0.000e+00 + 1.821e-04 = 1.821e-04
Mn(7) 0.000e+00 + 0.000e+00 = 0.000e+00
Na 0.000e+00 + 6.324e-03 = 6.324e-03
O(0) 0.000e+00 + 0.000e+00 = 0.000e+00
Pb(2) 0.000e+00 + 0.000e+00 = 0.000e+00
Pb(4) 0.000e+00 + 0.000e+00 = 0.000e+00
S(-2) 0.000e+00 + 9.177e-05 = 9.177e-05
S(2) 0.000e+00 + 0.000e+00 = 0.000e+00
S(3) 0.000e+00 + 0.000e+00 = 0.000e+00
S(4) 0.000e+00 + 0.000e+00 = 0.000e+00
S(5) 0.000e+00 + 0.000e+00 = 0.000e+00
S(6) 0.000e+00 + 1.823e-02 = 1.823e-02
S(7) 0.000e+00 + 0.000e+00 = 0.000e+00
S(8) 0.000e+00 + 0.000e+00 = 0.000e+00
Si 0.000e+00 + 0.000e+00 = 0.000e+00
Zn 0.000e+00 + 0.000e+00 = 0.000e+00

Solution 2: raswan

Input Delta Input+Delta


pH 7.120e+00 + 0.000e+00 = 7.120e+00
Al 1.024e-06 + 0.000e+00 = 1.024e-06
Alkalinity 1.401e-04 + 0.000e+00 = 1.401e-04
As(-3) 0.000e+00 + 0.000e+00 = 0.000e+00
As(3) 0.000e+00 + 0.000e+00 = 0.000e+00
As(5) 0.000e+00 + 0.000e+00 = 0.000e+00
C(-2) 0.000e+00 + 0.000e+00 = 0.000e+00
C(-3) 0.000e+00 + 0.000e+00 = 0.000e+00
C(-4) 0.000e+00 + 0.000e+00 = 0.000e+00
C(2) 0.000e+00 + 0.000e+00 = 0.000e+00
C(4) 1.533e-04 + 0.000e+00 = 1.533e-04
Ca 7.642e-04 + 0.000e+00 = 7.642e-04
Cu(1) 0.000e+00 + 0.000e+00 = 0.000e+00
Cu(2) 0.000e+00 + 0.000e+00 = 0.000e+00
Fe(2) 7.565e-08 + 0.000e+00 = 7.565e-08
Fe(3) 6.438e-08 + 0.000e+00 = 6.438e-08
H(0) 0.000e+00 + 0.000e+00 = 0.000e+00
K 1.807e-04 + 0.000e+00 = 1.807e-04
Mg 3.106e-03 + 0.000e+00 = 3.106e-03
Mn(2) 4.887e-05 + 0.000e+00 = 4.887e-05
Mn(3) 0.000e+00 + 0.000e+00 = 0.000e+00
Mn(6) 0.000e+00 + 0.000e+00 = 0.000e+00
Mn(7) 0.000e+00 + 0.000e+00 = 0.000e+00
Na 1.644e-03 + 0.000e+00 = 1.644e-03
O(0) 0.000e+00 + 0.000e+00 = 0.000e+00
Pb(2) 0.000e+00 + 0.000e+00 = 0.000e+00
Pb(4) 0.000e+00 + 0.000e+00 = 0.000e+00
S(-2) 0.000e+00 + 0.000e+00 = 0.000e+00
S(2) 0.000e+00 + 0.000e+00 = 0.000e+00
S(3) 0.000e+00 + 0.000e+00 = 0.000e+00
S(4) 0.000e+00 + 0.000e+00 = 0.000e+00
S(5) 0.000e+00 + 0.000e+00 = 0.000e+00
S(6) 5.320e-03 + -5.567e-04 = 4.763e-03
S(7) 0.000e+00 + 0.000e+00 = 0.000e+00
S(8) 0.000e+00 + 0.000e+00 = 0.000e+00
Si 0.000e+00 + 0.000e+00 = 0.000e+00
Zn 0.000e+00 + 0.000e+00 = 0.000e+00

Solution fractions: Minimum Maximum


Solution 1 2.600e-01 2.152e-01 3.209e-01
Solution 2 1.000e+00 1.000e+00 1.000e+00

Phase mole transfers: Minimum Maximum

Redox mole transfers:


Mn(3) 1.534e-06
Mn(6) 4.734e-05
S(-2) 2.386e-05

Sum of residuals (epsilons in documentation): 1.122e-02


Sum of delta/uncertainty limit: 4.156e-02
Maximum fractional error in element concentration: 1.046e-01

Model contains minimum number of phases.


===============================================================================

Summary of inverse modeling:

Number of models found: 1


Number of minimal models found: 1
Number of infeasible sets of phases saved: 1
Number of calls to cl1: 16
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End of simulation.
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Reading input data for simulation 2.
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End of Run after 2.906 Seconds.
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