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Databasefile:wateq4f.dat

Readingdatabase.

SOLUTION_MASTER_SPECIES
SOLUTION_SPECIES
PHASES
EXCHANGE_MASTER_SPECIES
EXCHANGE_SPECIES
SURFACE_MASTER_SPECIES
SURFACE_SPECIES
RATES
END

Readinginputdataforsimulation1.

TITLEUntitled
SOLUTION1
pH7.9
temp12
pe2.445
unitsmg/L
Al1.12
Alkalinity126
Ca44.3
Cl56
Cs0.17
K3.12
Mg12.3
Na19
Sr3.7
U1.1
END

TITLE

Untitled

Beginningofinitialsolutioncalculations.

Initialsolution1.

Solutioncomposition

ElementsMolalityMoles

Al4.152e054.152e05
Alkalinity2.518e032.518e03
Ca1.106e031.106e03
Cl1.580e031.580e03
Cs1.279e061.279e06
K7.981e057.981e05
Mg5.061e045.061e04
Na8.267e048.267e04
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Sr4.224e054.224e05
U4.623e064.623e06

Descriptionofsolution

pH=7.900
pe=2.445
Activityofwater=1.000
Ionicstrength=5.689e03
Massofwater(kg)=1.000e+00
Totalcarbon(mol/kg)=2.397e03
TotalCO2(mol/kg)=2.397e03
Temperature(degC)=12.000
Electricalbalance(eq)=2.517e04
Percenterror,100*(Cat|An|)/(Cat+|An|)=3.11
Iterations=13
TotalH=1.110149e+02
TotalO=5.551351e+01

Distributionofspecies

LogLogLog
SpeciesMolalityActivityMolalityActivityGamma

OH2.996e072.770e076.5236.5580.034
H+1.351e081.259e087.8697.9000.031
H2O5.551e+019.999e010.0000.0000.000
Al4.152e05
Al(OH)44.116e053.805e054.3864.4200.034
Al(OH)32.879e072.883e076.5416.5400.001
Al(OH)2+7.586e087.013e087.1207.1540.034
AlOH+25.267e103.846e109.2789.4150.137
Al+32.360e121.163e1211.62711.9340.307
C(4)2.397e03
HCO32.268e032.101e032.6442.6780.033
CO27.352e057.362e054.1344.1330.001
CaHCO3+1.774e051.640e054.7514.7850.034
MgHCO3+9.350e068.644e065.0295.0630.034
CO327.798e065.743e065.1085.2410.133
CaCO36.316e066.324e065.2005.1990.001
UO2(CO3)342.766e067.862e075.5586.1040.546
MgCO31.639e061.642e065.7855.7850.001
UO2(CO3)221.550e061.131e065.8105.9460.137
NaHCO39.012e079.024e076.0456.0450.001
SrHCO3+6.795e076.295e076.1686.2010.033
SrCO37.634e087.634e087.1177.1170.000
NaCO34.452e084.115e087.3517.3860.034
UO2CO31.075e081.077e087.9687.9680.001
(UO2)3(CO3)666.810e144.018e1513.16714.3961.229
UO2(CO3)351.507e162.111e1715.82216.6760.854
U(CO3)444.431e171.260e1716.35416.9000.546
U(CO3)563.312e211.954e2220.48021.7091.229
Ca1.106e03
Ca+21.082e037.960e042.9663.0990.133
CaHCO3+1.774e051.640e054.7514.7850.034
CaCO36.316e066.324e065.2005.1990.001
CaOH+1.135e081.049e087.9457.9790.034
Cl1.580e03
Cl1.580e031.459e032.8012.8360.035
UO2Cl+9.724e168.989e1615.01215.0460.034
UO2Cl26.172e206.180e2019.21019.2090.001
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UCl+33.212e301.583e3029.49329.8000.307
Cs1.279e06
Cs+1.279e061.183e065.8935.9270.034
H(0)1.992e14
H29.959e159.972e1514.00214.0010.001
K7.981e05
K+7.981e057.371e054.0984.1320.035
Mg5.061e04
Mg+24.950e043.658e043.3053.4370.131
MgHCO3+9.350e068.644e065.0295.0630.034
MgCO31.639e061.642e065.7855.7850.001
MgOH+3.344e083.091e087.4767.5100.034
Na8.267e04
Na+8.257e047.638e043.0833.1170.034
NaHCO39.012e079.024e076.0456.0450.001
NaCO34.452e084.115e087.3517.3860.034
O(0)0.000e+00
O20.000e+000.000e+0068.76568.7640.001
Sr4.224e05
Sr+24.148e053.057e054.3824.5150.133
SrHCO3+6.795e076.295e076.1686.2010.033
SrCO37.634e087.634e087.1177.1170.000
SrOH+1.345e101.245e109.8719.9050.034
U(3)2.017e36
U+32.017e369.940e3735.69536.0030.307
U(4)2.739e07
U(OH)42.739e072.743e076.5626.5620.001
U(OH)3+1.607e111.486e1110.79410.8280.034
U(OH)2+21.729e161.262e1615.76215.8990.137
U(CO3)444.431e171.260e1716.35416.9000.546
U(CO3)563.312e211.954e2220.48021.7091.229
UOH+32.860e221.410e2221.54421.8510.307
U+45.129e291.458e2928.29028.8360.546
UCl+33.212e301.583e3029.49329.8000.307
U6(OH)15+90.000e+000.000e+0068.95371.7182.766
U(5)5.788e09
UO2+5.788e095.351e098.2378.2720.034
UO2(CO3)351.507e162.111e1715.82216.6760.854
U(6)4.343e06
UO2(CO3)342.766e067.862e075.5586.1040.546
UO2(CO3)221.550e061.131e065.8105.9460.137
UO2(OH)31.649e081.524e087.7837.8170.034
UO2CO31.075e081.077e087.9687.9680.001
UO2OH+1.120e101.035e109.9519.9850.034
UO2+26.602e134.821e1312.18012.3170.137
(UO2)3(OH)72.416e132.234e1312.61712.6510.034
(UO2)3(CO3)666.810e144.018e1513.16714.3961.229
UO2(OH)422.627e141.918e1413.58013.7170.137
(UO2)3(OH)5+1.568e141.449e1413.80513.8390.034
(UO2)2(OH)2+22.192e151.601e1514.65914.7960.137
UO2Cl+9.724e168.989e1615.01215.0460.034
(UO2)4(OH)7+1.467e161.356e1615.83415.8680.034
(UO2)3(OH)4+27.687e185.613e1817.11417.2510.137
(UO2)2OH+37.473e203.683e2019.12719.4340.307
UO2Cl26.172e206.180e2019.21019.2090.001

Saturationindices

PhaseSIlogIAPlogKT

Al(OH)3(a)0.0811.7711.69Al(OH)3
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Aragonite0.088.348.26CaCO3
Artinite6.883.6910.56MgCO3:Mg(OH)2:3H2O
BUO2(OH)22.523.486.00UO2(OH)2
Boehmite2.2411.779.53AlOOH
Brucite5.3812.3617.75Mg(OH)2
Calcite0.088.348.42CaCO3
CO2(g)2.8321.0418.21CO2
Diaspore4.0611.777.70AlOOH
Dolomite0.2417.0216.77CaMg(CO3)2
Dolomite(d)0.8517.0216.17CaMg(CO3)2
Gibbsite2.8911.778.87Al(OH)3
Gummite7.693.4811.17UO3
H2(g)10.9110.910.00H2
H2O(g)1.860.001.86H2O
Halite7.505.951.55NaCl
Huntite5.2734.3729.11CaMg3(CO3)4
Hydromagnesite15.3322.357.02Mg5(CO3)4(OH)2:4H2O
Magnesite0.858.687.82MgCO3
Na4UO2(CO3)324.2240.5116.29Na4UO2(CO3)3
Nahcolite5.1216.2611.14NaHCO3
Natron9.6411.481.84Na2CO3:10H2O
Nesquehonite3.258.685.43MgCO3:3H2O
O2(g)65.8721.8287.69O2
Portlandite11.1412.7023.84Ca(OH)2
Rutherfordine3.1617.5614.40UO2CO3
Schoepite2.323.485.81UO2(OH)2:H2O
Strontianite0.479.769.28SrCO3
Thermonatrite11.6911.470.22Na2CO3:H2O
Trona17.0827.7310.66NaHCO3:Na2CO3:2H2O
U3O8(c)5.700.466.17U3O8
U4O9(c)21.9718.8040.76U4O9
UO2(a)2.667.4310.09UO2
UO3(gamma)4.883.488.36UO3
Uraninite(c)6.947.4314.37UO2

Endofsimulation.

Readinginputdataforsimulation2.

Endofrun.

Nomemoryleaks

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