mirror of
https://git.gfz-potsdam.de/naaice/iphreeqc.git
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Checking in examples. All examples run,
however, mytest mu, sys_gas, and DanPhuong need to be fixed. DanPhuong runs on Windows? sys_gas is problem with ah2o=0/1. not sure about mu. git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@7074 1feff8c3-07ed-0310-ac33-dd36852eb9cd
This commit is contained in:
David L Parkhurst
parent
b7b8fc71d1
commit
9f3afe9851
20
Makefile
20
Makefile
@ -16,8 +16,8 @@ endif
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all: ex1.out ex2.out ex2b.out ex3.out ex4.out ex5.out ex6.out ex7.out ex8.out ex9.out \
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ex10.out ex11.out ex12.out ex12a.out ex13a.out ex13b.out ex13c.out ex13ac.out \
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ex14.out ex15.out ex16.out ex17.out ex17b.out ex18.out \
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ex19.out ex19b.out ex20a.out ex20b.out ex21_radial.out ex22.out
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ex14.out ex15.out ex15a.out ex15b.out ex16.out ex17.out ex17b.out ex18.out \
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ex19.out ex19b.out ex20a.out ex20b.out ex21.out ex22.out
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ex1.out: $(INPUT)/ex1 $(PHREEQC) $(PHREEQCDAT)
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$(PHREEQC) $(INPUT)/ex1 ex1.out $(PHREEQCDAT)
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@ -92,13 +92,21 @@ ex13ac.out: $(INPUT)/ex13ac $(PHREEQC) $(PHREEQCDAT)
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mv phreeqc.log ex13ac.log
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ex14.out: $(INPUT)/ex14 $(PHREEQC) $(WATEQ4FDAT)
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$(PHREEQC) $(INPUT)/ex14 ex14.out
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$(PHREEQC) $(INPUT)/ex14 ex14.out $(PHREEQCDAT)
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mv phreeqc.log ex14.log
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ex15.out: $(INPUT)/ex15 $(PHREEQC) $(INPUT)/ex15.dat
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$(PHREEQC) $(INPUT)/ex15 ex15.out $(INPUT)/ex15.dat
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mv phreeqc.log ex15.log
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ex15a.out: $(INPUT)/ex15 $(PHREEQC) $(INPUT)/ex15.dat
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$(PHREEQC) $(INPUT)/ex15a ex15a.out $(INPUT)/ex15.dat
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mv phreeqc.log ex15a.log
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ex15b.out: $(INPUT)/ex15b $(PHREEQC) $(INPUT)/ex15.dat
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$(PHREEQC) $(INPUT)/ex15b ex15b.out $(INPUT)/ex15.dat
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mv phreeqc.log ex15b.log
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ex16.out: $(INPUT)/ex16 $(PHREEQC) $(PHREEQCDAT)
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$(PHREEQC) $(INPUT)/ex16 ex16.out $(PHREEQCDAT)
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mv phreeqc.log ex16.log
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@ -131,9 +139,9 @@ ex20b.out: $(INPUT)/ex20b $(PHREEQC) ../database/iso.dat
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$(PHREEQC) $(INPUT)/ex20b ex20b.out
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mv phreeqc.log ex20b.log
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ex21_radial.out: $(INPUT)/ex21_radial $(PHREEQC) $(PHREEQCDAT)
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$(PHREEQC) $(INPUT)/ex21_radial ex21_radial.out $(PHREEQCDAT)
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mv phreeqc.log ex21_radial.log
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ex21.out: $(INPUT)/ex21 $(PHREEQC) $(PHREEQCDAT)
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$(PHREEQC) $(INPUT)/ex21 ex21.out $(PHREEQCDAT)
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mv phreeqc.log ex21.log
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ex22.out: $(INPUT)/ex22 $(PHREEQC) $(PHREEQCDAT)
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$(PHREEQC) $(INPUT)/ex22 ex22.out $(PHREEQCDAT)
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292
ex1.out
292
ex1.out
@ -120,25 +120,26 @@ Initial solution 1. SEAWATER FROM NORDSTROM AND OTHERS (1979)
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pH = 8.220
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pe = 8.451
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Specific Conductance (uS/cm, 25 oC) = 52785
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Density (g/cm3) = 1.02327
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Specific Conductance (uS/cm, 25 oC) = 52753
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Density (g/cm3) = 1.02324
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Volume (L) = 1.01475
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Activity of water = 0.981
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Ionic strength = 6.751e-01
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Ionic strength = 6.747e-01
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Mass of water (kg) = 1.000e+00
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Total carbon (mol/kg) = 2.191e-03
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Total CO2 (mol/kg) = 2.191e-03
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Total carbon (mol/kg) = 2.187e-03
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Total CO2 (mol/kg) = 2.187e-03
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Temperature (deg C) = 25.00
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Electrical balance (eq) = 7.936e-04
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Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.07
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Iterations = 7
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Total H = 1.110147e+02
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Total O = 5.563057e+01
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Total O = 5.563056e+01
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---------------------------------Redox couples---------------------------------
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Redox couple pe Eh (volts)
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N(-3)/N(5) 4.6750 0.2766
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N(-3)/N(5) 4.6752 0.2766
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O(-2)/O(0) 12.4062 0.7339
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----------------------------Distribution of species----------------------------
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@ -149,168 +150,169 @@ Initial solution 1. SEAWATER FROM NORDSTROM AND OTHERS (1979)
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OH- 2.679e-06 1.631e-06 -5.572 -5.788 -0.215 -2.25
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H+ 7.984e-09 6.026e-09 -8.098 -8.220 -0.122 0.00
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H2O 5.551e+01 9.806e-01 1.744 -0.009 0.000 18.07
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C(4) 2.191e-03
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HCO3- 1.436e-03 9.697e-04 -2.843 -3.013 -0.171 26.82
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NaHCO3 2.809e-04 3.282e-04 -3.551 -3.484 0.068 29.13
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MgHCO3+ 2.079e-04 1.553e-04 -3.682 -3.809 -0.127 6.22
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MgCO3 8.438e-05 9.857e-05 -4.074 -4.006 0.068 -17.09
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NaCO3- 6.368e-05 4.756e-05 -4.196 -4.323 -0.127 1.31
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CaHCO3+ 4.403e-05 2.973e-05 -4.356 -4.527 -0.171 10.42
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CO3-2 3.630e-05 7.547e-06 -4.440 -5.122 -0.682 -0.70
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CaCO3 2.608e-05 3.047e-05 -4.584 -4.516 0.068 -14.60
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CO2 1.147e-05 1.340e-05 -4.940 -4.873 0.068 30.26
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UO2(CO3)3-4 1.247e-08 1.169e-10 -7.904 -9.932 -2.028 (0)
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UO2(CO3)2-2 1.892e-09 5.889e-10 -8.723 -9.230 -0.507 (0)
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MnCO3 2.566e-10 2.997e-10 -9.591 -9.523 0.068 (0)
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MnHCO3+ 5.785e-11 4.321e-11 -10.238 -10.364 -0.127 (0)
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UO2CO3 8.160e-12 9.533e-12 -11.088 -11.021 0.068 (0)
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FeCO3 1.781e-20 2.080e-20 -19.749 -19.682 0.068 (0)
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FeHCO3+ 1.492e-20 1.114e-20 -19.826 -19.953 -0.127 (0)
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C(4) 2.187e-03
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HCO3- 1.405e-03 9.485e-04 -2.852 -3.023 -0.171 26.82
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NaHCO3 2.745e-04 3.207e-04 -3.561 -3.494 0.067 29.13
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MgHCO3+ 2.422e-04 1.523e-04 -3.616 -3.817 -0.201 6.22
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MgCO3 8.274e-05 9.665e-05 -4.082 -4.015 0.067 -17.09
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NaCO3- 6.882e-05 4.647e-05 -4.162 -4.333 -0.171 1.31
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CaHCO3+ 4.213e-05 2.915e-05 -4.375 -4.535 -0.160 10.42
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CO3-2 3.550e-05 7.382e-06 -4.450 -5.132 -0.682 -0.70
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CaCO3 2.558e-05 2.987e-05 -4.592 -4.525 0.067 -14.60
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CO2 1.122e-05 1.310e-05 -4.950 -4.883 0.067 30.26
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UO2(CO3)3-4 1.243e-08 1.165e-10 -7.905 -9.934 -2.028 (0)
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UO2(CO3)2-2 1.928e-09 5.998e-10 -8.715 -9.222 -0.507 (0)
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MnCO3 2.433e-10 2.842e-10 -9.614 -9.546 0.067 (0)
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MnHCO3+ 6.177e-11 4.097e-11 -10.209 -10.388 -0.178 (0)
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UO2CO3 8.498e-12 9.927e-12 -11.071 -11.003 0.067 (0)
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FeCO3 1.699e-20 1.985e-20 -19.770 -19.702 0.067 (0)
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FeHCO3+ 1.424e-20 1.063e-20 -19.847 -19.973 -0.127 (0)
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Ca 1.066e-02
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Ca+2 9.613e-03 2.403e-03 -2.017 -2.619 -0.602 -16.39
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CaSO4 9.779e-04 1.142e-03 -3.010 -2.942 0.068 7.50
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CaHCO3+ 4.403e-05 2.973e-05 -4.356 -4.527 -0.171 10.42
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CaCO3 2.608e-05 3.047e-05 -4.584 -4.516 0.068 -14.60
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CaOH+ 8.690e-08 6.490e-08 -7.061 -7.188 -0.127 (0)
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CaHSO4+ 6.058e-11 4.525e-11 -10.218 -10.344 -0.127 (0)
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Ca+2 9.635e-03 2.409e-03 -2.016 -2.618 -0.602 -16.37
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CaSO4 9.583e-04 1.119e-03 -3.018 -2.951 0.067 7.50
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CaHCO3+ 4.213e-05 2.915e-05 -4.375 -4.535 -0.160 10.42
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CaCO3 2.558e-05 2.987e-05 -4.592 -4.525 0.067 -14.60
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CaOH+ 9.403e-08 6.506e-08 -7.027 -7.187 -0.160 (0)
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CaHSO4+ 5.936e-11 4.434e-11 -10.226 -10.353 -0.127 (0)
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Cl 5.657e-01
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Cl- 5.657e-01 3.526e-01 -0.247 -0.453 -0.205 18.78
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MnCl+ 9.614e-10 7.180e-10 -9.017 -9.144 -0.127 7.01
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MnCl2 9.459e-11 1.105e-10 -10.024 -9.957 0.068 (0)
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MnCl3- 1.437e-11 1.073e-11 -10.843 -10.969 -0.127 (0)
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FeCl+2 9.565e-19 2.976e-19 -18.019 -18.526 -0.507 (0)
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FeCl2+ 6.276e-19 4.687e-19 -18.202 -18.329 -0.127 (0)
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FeCl+ 7.487e-20 5.592e-20 -19.126 -19.252 -0.127 (0)
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FeCl3 1.415e-20 1.653e-20 -19.849 -19.782 0.068 (0)
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Fe(2) 6.637e-19
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Fe+2 5.014e-19 1.149e-19 -18.300 -18.940 -0.640 -19.18
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FeCl+ 7.487e-20 5.592e-20 -19.126 -19.252 -0.127 (0)
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FeSO4 4.675e-20 5.461e-20 -19.330 -19.263 0.068 (0)
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FeCO3 1.781e-20 2.080e-20 -19.749 -19.682 0.068 (0)
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FeHCO3+ 1.492e-20 1.114e-20 -19.826 -19.953 -0.127 (0)
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FeOH+ 7.916e-21 5.912e-21 -20.101 -20.228 -0.127 (0)
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FeHSO4+ 2.896e-27 2.163e-27 -26.538 -26.665 -0.127 (0)
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MnCl+ 1.050e-09 6.961e-10 -8.979 -9.157 -0.178 7.01
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MnCl2 9.172e-11 1.071e-10 -10.038 -9.970 0.067 (0)
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MnCl3- 1.569e-11 1.040e-11 -10.804 -10.983 -0.178 (0)
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FeCl+2 1.501e-18 2.904e-19 -17.824 -18.537 -0.713 (0)
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FeCl2+ 6.896e-19 4.574e-19 -18.161 -18.340 -0.178 (0)
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FeCl+ 7.305e-20 5.456e-20 -19.136 -19.263 -0.127 (0)
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FeCl3 1.381e-20 1.613e-20 -19.860 -19.792 0.067 (0)
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Fe(2) 6.467e-19
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Fe+2 4.892e-19 1.121e-19 -18.311 -18.950 -0.640 -19.18
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FeCl+ 7.305e-20 5.456e-20 -19.136 -19.263 -0.127 (0)
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FeSO4 4.459e-20 5.209e-20 -19.351 -19.283 0.067 (0)
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FeCO3 1.699e-20 1.985e-20 -19.770 -19.702 0.067 (0)
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FeHCO3+ 1.424e-20 1.063e-20 -19.847 -19.973 -0.127 (0)
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FeOH+ 8.698e-21 5.768e-21 -20.061 -20.239 -0.178 (0)
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Fe(OH)2 6.840e-24 7.990e-24 -23.165 -23.097 0.067 (0)
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Fe(OH)3- 7.284e-26 4.831e-26 -25.138 -25.316 -0.178 (0)
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FeHSO4+ 2.762e-27 2.063e-27 -26.559 -26.685 -0.127 (0)
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Fe(3) 3.711e-08
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Fe(OH)3 2.840e-08 3.318e-08 -7.547 -7.479 0.068 (0)
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Fe(OH)4- 6.593e-09 4.924e-09 -8.181 -8.308 -0.127 (0)
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Fe(OH)2+ 2.119e-09 1.583e-09 -8.674 -8.801 -0.127 (0)
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FeOH+2 9.439e-14 2.937e-14 -13.025 -13.532 -0.507 (0)
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FeSO4+ 1.097e-18 8.193e-19 -17.960 -18.087 -0.127 (0)
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FeCl+2 9.565e-19 2.976e-19 -18.019 -18.526 -0.507 (0)
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FeCl2+ 6.276e-19 4.687e-19 -18.202 -18.329 -0.127 (0)
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Fe+3 3.518e-19 2.795e-20 -18.454 -19.554 -1.100 (0)
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Fe(SO4)2- 6.415e-20 4.791e-20 -19.193 -19.320 -0.127 (0)
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FeCl3 1.415e-20 1.653e-20 -19.849 -19.782 0.068 (0)
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Fe2(OH)2+4 2.476e-24 2.322e-26 -23.606 -25.634 -2.028 (0)
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FeHSO4+2 4.248e-26 1.322e-26 -25.372 -25.879 -0.507 (0)
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Fe3(OH)4+5 1.132e-29 7.678e-33 -28.946 -32.115 -3.169 (0)
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Fe(OH)3 2.771e-08 3.237e-08 -7.557 -7.490 0.067 (0)
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Fe(OH)4- 7.114e-09 4.804e-09 -8.148 -8.318 -0.171 (0)
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Fe(OH)2+ 2.287e-09 1.544e-09 -8.641 -8.811 -0.171 (0)
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FeOH+2 1.481e-13 2.866e-14 -12.829 -13.543 -0.713 (0)
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FeCl+2 1.501e-18 2.904e-19 -17.824 -18.537 -0.713 (0)
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FeSO4+ 1.178e-18 7.814e-19 -17.929 -18.107 -0.178 (0)
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FeCl2+ 6.896e-19 4.574e-19 -18.161 -18.340 -0.178 (0)
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Fe+3 3.432e-19 2.727e-20 -18.464 -19.564 -1.100 (0)
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Fe(SO4)2- 5.982e-20 4.467e-20 -19.223 -19.350 -0.127 (0)
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FeCl3 1.381e-20 1.613e-20 -19.860 -19.792 0.067 (0)
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Fe2(OH)2+4 2.359e-24 2.210e-26 -23.627 -25.656 -2.028 (0)
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FeHSO4+2 4.053e-26 1.261e-26 -25.392 -25.899 -0.507 (0)
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Fe3(OH)4+5 1.053e-29 7.130e-33 -28.978 -32.147 -3.169 (0)
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H(0) 0.000e+00
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H2 0.000e+00 0.000e+00 -44.470 -44.402 0.068 28.61
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H2 0.000e+00 0.000e+00 -44.470 -44.402 0.067 28.61
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K 1.058e-02
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K+ 1.041e-02 6.490e-03 -1.982 -2.188 -0.205 9.75
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KSO4- 1.632e-04 1.219e-04 -3.787 -3.914 -0.127 (0)
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KOH 3.135e-09 3.662e-09 -8.504 -8.436 0.068 (0)
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K+ 1.040e-02 6.483e-03 -1.983 -2.188 -0.205 9.75
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KSO4- 1.763e-04 1.190e-04 -3.754 -3.924 -0.171 (0)
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Mg 5.507e-02
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Mg+2 4.742e-02 1.369e-02 -1.324 -1.864 -0.540 -20.43
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MgSO4 7.342e-03 8.576e-03 -2.134 -2.067 0.068 5.84
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MgHCO3+ 2.079e-04 1.553e-04 -3.682 -3.809 -0.127 6.22
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MgCO3 8.438e-05 9.857e-05 -4.074 -4.006 0.068 -17.09
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MgOH+ 1.083e-05 8.087e-06 -4.965 -5.092 -0.127 (0)
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Mg+2 4.753e-02 1.372e-02 -1.323 -1.863 -0.540 -20.41
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MgSO4 7.195e-03 8.404e-03 -2.143 -2.075 0.067 5.84
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MgHCO3+ 2.422e-04 1.523e-04 -3.616 -3.817 -0.201 6.22
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MgCO3 8.274e-05 9.665e-05 -4.082 -4.015 0.067 -17.09
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MgOH+ 1.151e-05 8.106e-06 -4.939 -5.091 -0.152 (0)
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Mn(2) 3.773e-09
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Mn+2 2.182e-09 4.999e-10 -8.661 -9.301 -0.640 -14.07
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MnCl+ 9.614e-10 7.180e-10 -9.017 -9.144 -0.127 7.01
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MnCO3 2.566e-10 2.997e-10 -9.591 -9.523 0.068 (0)
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MnSO4 2.034e-10 2.376e-10 -9.692 -9.624 0.068 4.99
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MnCl2 9.459e-11 1.105e-10 -10.024 -9.957 0.068 (0)
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MnHCO3+ 5.785e-11 4.321e-11 -10.238 -10.364 -0.127 (0)
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MnCl3- 1.437e-11 1.073e-11 -10.843 -10.969 -0.127 (0)
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MnOH+ 2.800e-12 2.091e-12 -11.553 -11.680 -0.127 (0)
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Mn(NO3)2 1.378e-20 1.610e-20 -19.861 -19.793 0.068 (0)
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Mn(3) 6.034e-26
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Mn+3 6.034e-26 4.364e-27 -25.219 -26.360 -1.141 (0)
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Mn+2 2.115e-09 4.846e-10 -8.675 -9.315 -0.640 -14.08
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MnCl+ 1.050e-09 6.961e-10 -8.979 -9.157 -0.178 7.01
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MnCO3 2.433e-10 2.842e-10 -9.614 -9.546 0.067 (0)
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MnSO4 1.928e-10 2.252e-10 -9.715 -9.647 0.067 4.99
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MnCl2 9.172e-11 1.071e-10 -10.038 -9.970 0.067 (0)
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MnHCO3+ 6.177e-11 4.097e-11 -10.209 -10.388 -0.178 (0)
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MnCl3- 1.569e-11 1.040e-11 -10.804 -10.983 -0.178 (0)
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MnOH+ 3.057e-12 2.027e-12 -11.515 -11.693 -0.178 (0)
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Mn(OH)3- 4.991e-20 3.310e-20 -19.302 -19.480 -0.178 (0)
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Mn(NO3)2 1.336e-20 1.561e-20 -19.874 -19.807 0.067 (0)
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Mn(3) 5.323e-26
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Mn+3 5.323e-26 4.231e-27 -25.274 -26.374 -1.100 (0)
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N(-3) 1.724e-06
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NH4+ 1.609e-06 9.042e-07 -5.794 -6.044 -0.250 18.44
|
||||
NH3 7.320e-08 8.551e-08 -7.135 -7.068 0.068 24.31
|
||||
NH4SO4- 4.169e-08 3.113e-08 -7.380 -7.507 -0.127 (0)
|
||||
NH4+ 1.605e-06 9.020e-07 -5.795 -6.045 -0.250 18.47
|
||||
NH3 7.304e-08 8.531e-08 -7.136 -7.069 0.067 24.31
|
||||
NH4SO4- 4.578e-08 3.037e-08 -7.339 -7.518 -0.178 (0)
|
||||
N(5) 4.847e-06
|
||||
NO3- 4.847e-06 2.844e-06 -5.314 -5.546 -0.232 30.22
|
||||
Mn(NO3)2 1.378e-20 1.610e-20 -19.861 -19.793 0.068 (0)
|
||||
NO3- 4.847e-06 2.844e-06 -5.314 -5.546 -0.232 30.21
|
||||
Mn(NO3)2 1.336e-20 1.561e-20 -19.874 -19.807 0.067 (0)
|
||||
Na 4.854e-01
|
||||
Na+ 4.790e-01 3.384e-01 -0.320 -0.471 -0.151 -0.58
|
||||
NaSO4- 6.070e-03 4.534e-03 -2.217 -2.344 -0.127 31.16
|
||||
NaHCO3 2.809e-04 3.282e-04 -3.551 -3.484 0.068 29.13
|
||||
NaCO3- 6.368e-05 4.756e-05 -4.196 -4.323 -0.127 1.31
|
||||
NaOH 4.725e-17 5.519e-17 -16.326 -16.258 0.068 (0)
|
||||
Na+ 4.785e-01 3.381e-01 -0.320 -0.471 -0.151 -0.54
|
||||
NaSO4- 6.557e-03 4.428e-03 -2.183 -2.354 -0.171 31.16
|
||||
NaHCO3 2.745e-04 3.207e-04 -3.561 -3.494 0.067 29.13
|
||||
NaCO3- 6.882e-05 4.647e-05 -4.162 -4.333 -0.171 1.31
|
||||
O(0) 4.376e-04
|
||||
O2 2.188e-04 2.556e-04 -3.660 -3.592 0.068 30.40
|
||||
O2 2.188e-04 2.556e-04 -3.660 -3.592 0.067 30.40
|
||||
S(6) 2.926e-02
|
||||
SO4-2 1.470e-02 2.673e-03 -1.833 -2.573 -0.740 13.72
|
||||
MgSO4 7.342e-03 8.576e-03 -2.134 -2.067 0.068 5.84
|
||||
NaSO4- 6.070e-03 4.534e-03 -2.217 -2.344 -0.127 31.16
|
||||
CaSO4 9.779e-04 1.142e-03 -3.010 -2.942 0.068 7.50
|
||||
KSO4- 1.632e-04 1.219e-04 -3.787 -3.914 -0.127 (0)
|
||||
NH4SO4- 4.169e-08 3.113e-08 -7.380 -7.507 -0.127 (0)
|
||||
HSO4- 2.097e-09 1.566e-09 -8.678 -8.805 -0.127 35.91
|
||||
MnSO4 2.034e-10 2.376e-10 -9.692 -9.624 0.068 4.99
|
||||
CaHSO4+ 6.058e-11 4.525e-11 -10.218 -10.344 -0.127 (0)
|
||||
FeSO4+ 1.097e-18 8.193e-19 -17.960 -18.087 -0.127 (0)
|
||||
Fe(SO4)2- 6.415e-20 4.791e-20 -19.193 -19.320 -0.127 (0)
|
||||
FeSO4 4.675e-20 5.461e-20 -19.330 -19.263 0.068 (0)
|
||||
FeHSO4+2 4.248e-26 1.322e-26 -25.372 -25.879 -0.507 (0)
|
||||
FeHSO4+ 2.896e-27 2.163e-27 -26.538 -26.665 -0.127 (0)
|
||||
SO4-2 1.437e-02 2.613e-03 -1.842 -2.583 -0.740 13.67
|
||||
MgSO4 7.195e-03 8.404e-03 -2.143 -2.075 0.067 5.84
|
||||
NaSO4- 6.557e-03 4.428e-03 -2.183 -2.354 -0.171 31.16
|
||||
CaSO4 9.583e-04 1.119e-03 -3.018 -2.951 0.067 7.50
|
||||
KSO4- 1.763e-04 1.190e-04 -3.754 -3.924 -0.171 (0)
|
||||
NH4SO4- 4.578e-08 3.037e-08 -7.339 -7.518 -0.178 (0)
|
||||
HSO4- 2.367e-09 1.531e-09 -8.626 -8.815 -0.189 35.91
|
||||
MnSO4 1.928e-10 2.252e-10 -9.715 -9.647 0.067 4.99
|
||||
CaHSO4+ 5.936e-11 4.434e-11 -10.226 -10.353 -0.127 (0)
|
||||
FeSO4+ 1.178e-18 7.814e-19 -17.929 -18.107 -0.178 (0)
|
||||
Fe(SO4)2- 5.982e-20 4.467e-20 -19.223 -19.350 -0.127 (0)
|
||||
FeSO4 4.459e-20 5.209e-20 -19.351 -19.283 0.067 (0)
|
||||
FeHSO4+2 4.053e-26 1.261e-26 -25.392 -25.899 -0.507 (0)
|
||||
FeHSO4+ 2.762e-27 2.063e-27 -26.559 -26.685 -0.127 (0)
|
||||
Si 7.382e-05
|
||||
H4SiO4 7.110e-05 8.306e-05 -4.148 -4.081 0.068 52.08
|
||||
H3SiO4- 2.721e-06 2.033e-06 -5.565 -5.692 -0.127 28.72
|
||||
H2SiO4-2 7.374e-11 2.295e-11 -10.132 -10.639 -0.507 (0)
|
||||
U(4) 1.198e-21
|
||||
U(OH)5- 1.198e-21 8.949e-22 -20.921 -21.048 -0.127 (0)
|
||||
U(OH)4 1.913e-25 2.235e-25 -24.718 -24.651 0.068 (0)
|
||||
U+4 0.000e+00 0.000e+00 -46.931 -48.959 -2.028 (0)
|
||||
U(5) 1.880e-18
|
||||
UO2+ 1.880e-18 1.404e-18 -17.726 -17.853 -0.127 (0)
|
||||
H4SiO4 7.061e-05 8.248e-05 -4.151 -4.084 0.067 52.08
|
||||
H3SiO4- 3.210e-06 2.018e-06 -5.494 -5.695 -0.201 28.72
|
||||
H2SiO4-2 1.096e-10 2.279e-11 -9.960 -10.642 -0.682 (0)
|
||||
U(4) 1.275e-21
|
||||
U(OH)5- 1.275e-21 9.521e-22 -20.895 -21.021 -0.127 (0)
|
||||
U(OH)4 2.036e-25 2.378e-25 -24.691 -24.624 0.067 (0)
|
||||
U+4 0.000e+00 0.000e+00 -46.903 -48.932 -2.028 (0)
|
||||
U(5) 2.001e-18
|
||||
UO2+ 2.001e-18 1.494e-18 -17.699 -17.826 -0.127 (0)
|
||||
U(6) 1.437e-08
|
||||
UO2(CO3)3-4 1.247e-08 1.169e-10 -7.904 -9.932 -2.028 (0)
|
||||
UO2(CO3)2-2 1.892e-09 5.889e-10 -8.723 -9.230 -0.507 (0)
|
||||
UO2CO3 8.160e-12 9.533e-12 -11.088 -11.021 0.068 (0)
|
||||
UO2OH+ 3.923e-14 2.930e-14 -13.406 -13.533 -0.127 (0)
|
||||
UO2+2 3.503e-16 1.090e-16 -15.456 -15.963 -0.507 (0)
|
||||
(UO2)2(OH)2+2 2.392e-21 7.444e-22 -20.621 -21.128 -0.507 (0)
|
||||
(UO2)3(OH)5+ 4.523e-23 3.378e-23 -22.345 -22.471 -0.127 (0)
|
||||
UO2(CO3)3-4 1.243e-08 1.165e-10 -7.905 -9.934 -2.028 (0)
|
||||
UO2(CO3)2-2 1.928e-09 5.998e-10 -8.715 -9.222 -0.507 (0)
|
||||
UO2CO3 8.498e-12 9.927e-12 -11.071 -11.003 0.067 (0)
|
||||
UO2OH+ 4.177e-14 3.120e-14 -13.379 -13.506 -0.127 (0)
|
||||
UO2+2 3.730e-16 1.160e-16 -15.428 -15.935 -0.507 (0)
|
||||
(UO2)2(OH)2+2 2.712e-21 8.437e-22 -20.567 -21.074 -0.507 (0)
|
||||
(UO2)3(OH)5+ 5.457e-23 4.076e-23 -22.263 -22.390 -0.127 (0)
|
||||
|
||||
------------------------------Saturation indices-------------------------------
|
||||
|
||||
Phase SI log IAP log K(298 K, 1 atm)
|
||||
|
||||
Anhydrite -0.95 -5.19 -4.24 CaSO4
|
||||
Aragonite 0.59 -7.74 -8.34 CaCO3
|
||||
Calcite 0.74 -7.74 -8.48 CaCO3
|
||||
Chalcedony -0.51 -4.06 -3.55 SiO2
|
||||
Anhydrite -0.96 -5.20 -4.24 CaSO4
|
||||
Aragonite 0.59 -7.75 -8.34 CaCO3
|
||||
Calcite 0.73 -7.75 -8.48 CaCO3
|
||||
Chalcedony -0.52 -4.07 -3.55 SiO2
|
||||
Chrysotile 3.36 35.56 32.20 Mg3Si2O5(OH)4
|
||||
CO2(g) -3.41 -4.87 -1.46 CO2
|
||||
Dolomite 2.36 -14.73 -17.09 CaMg(CO3)2
|
||||
Fe(OH)3(a) 0.19 5.08 4.89 Fe(OH)3
|
||||
Goethite 6.09 5.09 -1.00 FeOOH
|
||||
Gypsum -0.63 -5.21 -4.58 CaSO4:2H2O
|
||||
CO2(g) -3.42 -4.88 -1.46 CO2
|
||||
Dolomite 2.35 -14.74 -17.09 CaMg(CO3)2
|
||||
Fe(OH)3(a) 0.18 5.07 4.89 Fe(OH)3
|
||||
Goethite 6.08 5.08 -1.00 FeOOH
|
||||
Gypsum -0.64 -5.22 -4.58 CaSO4:2H2O
|
||||
H2(g) -41.30 -44.40 -3.10 H2
|
||||
H2O(g) -1.51 -0.01 1.50 H2O
|
||||
Halite -2.51 -0.92 1.58 NaCl
|
||||
Hausmannite 1.60 62.63 61.03 Mn3O4
|
||||
Hematite 14.20 10.19 -4.01 Fe2O3
|
||||
Jarosite-K -7.52 -16.73 -9.21 KFe3(SO4)2(OH)6
|
||||
Manganite 2.41 27.75 25.34 MnOOH
|
||||
Melanterite -19.36 -21.57 -2.21 FeSO4:7H2O
|
||||
NH3(g) -8.86 -7.07 1.80 NH3
|
||||
Hausmannite 1.56 62.59 61.03 Mn3O4
|
||||
Hematite 14.17 10.17 -4.01 Fe2O3
|
||||
Jarosite-K -7.57 -16.78 -9.21 KFe3(SO4)2(OH)6
|
||||
Manganite 2.39 27.73 25.34 MnOOH
|
||||
Melanterite -19.38 -21.59 -2.21 FeSO4:7H2O
|
||||
NH3(g) -8.87 -7.07 1.80 NH3
|
||||
O2(g) -0.70 -3.59 -2.89 O2 Pressure 0.2 atm, phi 1.000.
|
||||
Pyrochroite -8.08 7.12 15.20 Mn(OH)2
|
||||
Pyrolusite 6.99 48.37 41.38 MnO2:H2O
|
||||
Quartz -0.08 -4.06 -3.98 SiO2
|
||||
Rhodochrosite -3.29 -14.42 -11.13 MnCO3
|
||||
Sepiolite 1.16 16.92 15.76 Mg2Si3O7.5OH:3H2O
|
||||
Sepiolite(d) -1.74 16.92 18.66 Mg2Si3O7.5OH:3H2O
|
||||
Siderite -13.17 -24.06 -10.89 FeCO3
|
||||
SiO2(a) -1.35 -4.06 -2.71 SiO2
|
||||
Talc 6.04 27.44 21.40 Mg3Si4O10(OH)2
|
||||
Uraninite -12.61 -16.10 -3.49 UO2
|
||||
Pyrochroite -8.09 7.11 15.20 Mn(OH)2
|
||||
Pyrolusite 6.97 48.35 41.38 MnO2:H2O
|
||||
Quartz -0.09 -4.07 -3.98 SiO2
|
||||
Rhodochrosite -3.32 -14.45 -11.13 MnCO3
|
||||
Sepiolite 1.15 16.91 15.76 Mg2Si3O7.5OH:3H2O
|
||||
Sepiolite(d) -1.75 16.91 18.66 Mg2Si3O7.5OH:3H2O
|
||||
Siderite -13.19 -24.08 -10.89 FeCO3
|
||||
SiO2(a) -1.35 -4.07 -2.71 SiO2
|
||||
Talc 6.03 27.43 21.40 Mg3Si4O10(OH)2
|
||||
Uraninite -12.58 -16.07 -3.49 UO2
|
||||
|
||||
|
||||
------------------
|
||||
@ -322,6 +324,6 @@ Reading input data for simulation 2.
|
||||
------------------------------------
|
||||
|
||||
------------------------------
|
||||
End of Run after 0.03 Seconds.
|
||||
End of Run after 0.02 Seconds.
|
||||
------------------------------
|
||||
|
||||
|
||||
24
ex11adv.sel
24
ex11adv.sel
@ -75,27 +75,27 @@
|
||||
74 3.2281e-11 1.2000e-03 1.1999e-03 3.9374e-08 1.8625e+00
|
||||
75 6.7673e-12 1.2000e-03 1.1890e-03 5.4946e-06 1.8875e+00
|
||||
76 8.0510e-13 1.2000e-03 7.0494e-04 2.4753e-04 1.9125e+00
|
||||
77 2.1968e-14 1.2000e-03 9.6078e-05 5.5196e-04 1.9375e+00
|
||||
78 4.1771e-16 1.2000e-03 9.1268e-06 5.9544e-04 1.9625e+00
|
||||
77 2.1968e-14 1.2000e-03 9.6079e-05 5.5196e-04 1.9375e+00
|
||||
78 4.1771e-16 1.2000e-03 9.1269e-06 5.9544e-04 1.9625e+00
|
||||
79 7.6748e-18 1.2000e-03 8.3782e-07 5.9958e-04 1.9875e+00
|
||||
80 1.4057e-19 1.2000e-03 7.6671e-08 5.9996e-04 2.0125e+00
|
||||
81 2.5740e-21 1.2000e-03 7.0147e-09 6.0000e-04 2.0375e+00
|
||||
82 4.7052e-23 1.2000e-03 6.4179e-10 6.0000e-04 2.0625e+00
|
||||
83 8.2642e-25 1.2000e-03 5.8721e-11 6.0000e-04 2.0875e+00
|
||||
83 8.2642e-25 1.2000e-03 5.8722e-11 6.0000e-04 2.0875e+00
|
||||
84 0.0000e+00 1.2000e-03 5.3731e-12 6.0000e-04 2.1125e+00
|
||||
85 0.0000e+00 1.2000e-03 4.9168e-13 6.0000e-04 2.1375e+00
|
||||
86 0.0000e+00 1.2000e-03 4.4995e-14 6.0000e-04 2.1625e+00
|
||||
87 0.0000e+00 1.2000e-03 4.1178e-15 6.0000e-04 2.1875e+00
|
||||
88 0.0000e+00 1.2000e-03 3.7688e-16 6.0000e-04 2.2125e+00
|
||||
88 0.0000e+00 1.2000e-03 3.7689e-16 6.0000e-04 2.2125e+00
|
||||
89 0.0000e+00 1.2000e-03 3.4497e-17 6.0000e-04 2.2375e+00
|
||||
90 0.0000e+00 1.2000e-03 3.1577e-18 6.0000e-04 2.2625e+00
|
||||
91 0.0000e+00 1.2000e-03 2.8907e-19 6.0000e-04 2.2875e+00
|
||||
92 0.0000e+00 1.2000e-03 2.6465e-20 6.0000e-04 2.3125e+00
|
||||
93 0.0000e+00 1.2000e-03 2.4232e-21 6.0000e-04 2.3375e+00
|
||||
94 0.0000e+00 1.2000e-03 2.2195e-22 6.0000e-04 2.3625e+00
|
||||
95 0.0000e+00 1.2000e-03 2.0340e-23 6.0000e-04 2.3875e+00
|
||||
96 0.0000e+00 1.2000e-03 1.8710e-24 6.0000e-04 2.4125e+00
|
||||
97 0.0000e+00 1.2000e-03 1.5386e-25 6.0000e-04 2.4375e+00
|
||||
90 0.0000e+00 1.2000e-03 3.1579e-18 6.0000e-04 2.2625e+00
|
||||
91 0.0000e+00 1.2000e-03 2.8916e-19 6.0000e-04 2.2875e+00
|
||||
92 0.0000e+00 1.2000e-03 2.6481e-20 6.0000e-04 2.3125e+00
|
||||
93 0.0000e+00 1.2000e-03 2.4261e-21 6.0000e-04 2.3375e+00
|
||||
94 0.0000e+00 1.2000e-03 2.2288e-22 6.0000e-04 2.3625e+00
|
||||
95 0.0000e+00 1.2000e-03 2.1592e-23 6.0000e-04 2.3875e+00
|
||||
96 0.0000e+00 1.2000e-03 2.0276e-24 6.0000e-04 2.4125e+00
|
||||
97 0.0000e+00 1.2000e-03 1.6673e-25 6.0000e-04 2.4375e+00
|
||||
98 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 2.4625e+00
|
||||
99 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 2.4875e+00
|
||||
100 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 2.5125e+00
|
||||
|
||||
186
ex11trn.sel
186
ex11trn.sel
@ -7,96 +7,96 @@
|
||||
5 1.000000000001e-03 0.000000000000e+00 2.000000000001e-04 0.000000000000e+00 1.375000000000e-01
|
||||
6 1.000000000001e-03 0.000000000000e+00 2.000000000001e-04 0.000000000000e+00 1.625000000000e-01
|
||||
7 1.000000000001e-03 0.000000000000e+00 2.000000000001e-04 0.000000000000e+00 1.875000000000e-01
|
||||
8 1.000000000001e-03 3.099695935216e-22 2.000000000001e-04 0.000000000000e+00 2.125000000000e-01
|
||||
9 1.000000000001e-03 1.500903351088e-17 2.000000000001e-04 0.000000000000e+00 2.375000000000e-01
|
||||
10 1.000000000001e-03 6.337810057706e-15 2.000000000001e-04 0.000000000000e+00 2.625000000000e-01
|
||||
11 1.000000000001e-03 4.494806171130e-13 2.000000000001e-04 0.000000000000e+00 2.875000000000e-01
|
||||
12 1.000000000001e-03 1.148716182462e-11 2.000000000001e-04 0.000000000000e+00 3.125000000000e-01
|
||||
13 1.000000000001e-03 1.502206811002e-10 2.000000000001e-04 0.000000000000e+00 3.375000000000e-01
|
||||
14 1.000000000001e-03 1.222542811893e-09 2.000000000001e-04 0.000000000000e+00 3.625000000000e-01
|
||||
15 1.000000000001e-03 6.992469583234e-09 2.000000000001e-04 0.000000000000e+00 3.875000000000e-01
|
||||
16 1.000000000001e-03 3.048043440190e-08 2.000000000001e-04 0.000000000000e+00 4.125000000000e-01
|
||||
17 1.000000000001e-03 1.071736884870e-07 2.000000000001e-04 0.000000000000e+00 4.375000000000e-01
|
||||
18 1.000000000000e-03 3.167880505849e-07 2.000000000002e-04 0.000000000000e+00 4.625000000000e-01
|
||||
19 1.000000000000e-03 8.119152403749e-07 2.000000000007e-04 0.000000000000e+00 4.875000000000e-01
|
||||
20 9.999999999972e-04 1.847753783997e-06 2.000000000034e-04 0.000000000000e+00 5.125000000000e-01
|
||||
21 9.999999999830e-04 3.804229075471e-06 2.000000000176e-04 0.000000000000e+00 5.375000000000e-01
|
||||
22 9.999999999208e-04 7.191769366239e-06 2.000000000797e-04 0.000000000000e+00 5.625000000000e-01
|
||||
23 9.999999996781e-04 1.263506022268e-05 2.000000003223e-04 0.000000000000e+00 5.875000000000e-01
|
||||
24 9.999999988273e-04 2.083413717052e-05 2.000000011729e-04 0.000000000000e+00 6.125000000000e-01
|
||||
25 9.999999961122e-04 3.250742767477e-05 2.000000038878e-04 0.000000000000e+00 6.375000000000e-01
|
||||
26 9.999999881427e-04 4.832522920501e-05 2.000000118569e-04 0.000000000000e+00 6.625000000000e-01
|
||||
27 9.999999664319e-04 6.884373211786e-05 2.000000335672e-04 0.000000000000e+00 6.875000000000e-01
|
||||
28 9.999999111043e-04 9.444901160170e-05 2.000000888942e-04 0.000000000000e+00 7.125000000000e-01
|
||||
29 9.999997782999e-04 1.253179893804e-04 2.000002216979e-04 0.000000000000e+00 7.375000000000e-01
|
||||
30 9.999994762263e-04 1.614000573128e-04 2.000005237707e-04 0.000000000000e+00 7.625000000000e-01
|
||||
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84 4.362237390129e-06 1.199745698858e-03 5.532050332749e-05 5.701586296413e-04 2.112500000000e+00
|
||||
85 3.445231626852e-06 1.199794545991e-03 4.384740227429e-05 5.763536830496e-04 2.137500000000e+00
|
||||
86 2.722483624555e-06 1.199834157394e-03 3.481279245711e-05 5.812323619602e-04 2.162500000000e+00
|
||||
87 2.152343735028e-06 1.199866246233e-03 2.768046315964e-05 5.850835965535e-04 2.187500000000e+00
|
||||
88 1.702259902733e-06 1.199892215323e-03 2.203774546837e-05 5.881299973157e-04 2.212500000000e+00
|
||||
89 1.346733079217e-06 1.199913211686e-03 1.756522036427e-05 5.905440232793e-04 2.237500000000e+00
|
||||
90 1.065752199800e-06 1.199930171882e-03 1.401446579605e-05 5.924598910030e-04 2.262500000000e+00
|
||||
91 8.435890601972e-07 1.199943859609e-03 1.119149965109e-05 5.939824556455e-04 2.287500000000e+00
|
||||
92 6.678659098233e-07 1.199954896813e-03 8.944331689450e-06 5.951939012015e-04 2.312500000000e+00
|
||||
93 5.288312748853e-07 1.199963789378e-03 7.153523681752e-06 5.961588225227e-04 2.337500000000e+00
|
||||
94 4.187957416785e-07 1.199970948302e-03 5.724978932706e-06 5.969281126637e-04 2.362500000000e+00
|
||||
95 3.316912258346e-07 1.199976707113e-03 4.584400984102e-06 5.975419538958e-04 2.387500000000e+00
|
||||
96 2.627259551348e-07 1.199981336185e-03 3.673012869387e-06 5.980321305884e-04 2.412500000000e+00
|
||||
97 2.081138875438e-07 1.199985054463e-03 2.944235330920e-06 5.984238253914e-04 2.437500000000e+00
|
||||
98 1.648621781033e-07 1.199988039067e-03 2.361099162469e-06 5.987370193303e-04 2.462500000000e+00
|
||||
99 1.306040219589e-07 1.199990433149e-03 1.894222608511e-06 5.989875866853e-04 2.487500000000e+00
|
||||
100 1.034670379459e-07 1.199992352295e-03 1.520225739707e-06 5.991881536117e-04 2.512500000000e+00
|
||||
|
||||
2
ex12.out
2
ex12.out
@ -53,6 +53,6 @@ Reading input data for simulation 1.
|
||||
WARNING: Cell-lengths were read for 1 cells. Last value is used till cell 60.
|
||||
WARNING: Dispersivities were read for 1 cells. Last value is used till cell 60.
|
||||
------------------------------
|
||||
End of Run after 3.47 Seconds.
|
||||
End of Run after 1.96 Seconds.
|
||||
------------------------------
|
||||
|
||||
|
||||
120
ex12.sel
120
ex12.sel
@ -62,63 +62,63 @@
|
||||
19.1666 2.400000000000e+01 2.400000000000e+01 0.000000000000e+00 2.400000000000e+01
|
||||
19.5 2.400000000000e+01 2.400000000000e+01 0.000000000000e+00 2.400000000000e+01
|
||||
19.8333 2.400000000000e+01 2.400000000000e+01 0.000000000000e+00 2.400000000000e+01
|
||||
0.166666 2.173421535788e+01 2.173421534772e+01 2.265784649344e+00 2.269804797031e+01
|
||||
0.499999 1.732877881413e+01 1.732877878416e+01 6.671221208127e+00 2.011807085408e+01
|
||||
0.833333 1.328084086748e+01 1.328084081699e+01 1.071915917210e+01 1.760856603199e+01
|
||||
1.16667 9.764795286473e+00 9.764795216909e+00 1.423520477050e+01 1.521227157403e+01
|
||||
1.5 6.876991640216e+00 6.876991557850e+00 1.712300842916e+01 1.296595961050e+01
|
||||
1.83333 4.633455928133e+00 4.633455842850e+00 1.936654414473e+01 1.089879733963e+01
|
||||
2.16666 2.983966658034e+00 2.983966579643e+00 2.101603340911e+01 9.031344427790e+00
|
||||
2.5 1.835677067050e+00 1.835677002157e+00 2.216432298807e+01 7.375229710920e+00
|
||||
2.83333 1.078314727713e+00 1.078314678731e+00 2.292168531306e+01 5.933476222853e+00
|
||||
3.16666 6.047305557783e-01 6.047305217251e-01 2.339526947157e+01 4.701379781826e+00
|
||||
3.5 3.237709470080e-01 3.237709250310e-01 2.367622906962e+01 3.667800399957e+00
|
||||
3.83333 1.655104664086e-01 1.655104531616e-01 2.383448954267e+01 2.816701882846e+00
|
||||
4.16666 8.080257204240e-02 8.080256454955e-02 2.391919743227e+01 2.128773573947e+00
|
||||
4.5 3.768568646672e-02 3.768568247488e-02 2.396231431514e+01 1.582986272153e+00
|
||||
4.83333 1.679767756894e-02 1.679767555998e-02 2.398320232269e+01 1.157966472262e+00
|
||||
5.16666 7.158752063679e-03 7.158751106303e-03 2.399284124763e+01 8.331126368293e-01
|
||||
5.49999 2.918449214332e-03 2.918448781454e-03 2.399708155032e+01 5.894176946320e-01
|
||||
5.83333 1.138722696040e-03 1.138722510024e-03 2.399886127687e+01 4.099979928611e-01
|
||||
6.16666 4.254688736287e-04 4.254687975505e-04 2.399957453078e+01 2.803568840115e-01
|
||||
6.49999 1.523139982618e-04 1.523139686097e-04 2.399984768574e+01 1.884293356558e-01
|
||||
6.83333 5.227267557720e-05 5.227266455085e-05 2.399994772715e+01 1.244625136568e-01
|
||||
7.16666 1.720732480116e-05 1.720732088516e-05 2.399998279256e+01 8.078763518345e-02
|
||||
7.49999 5.436192373459e-06 5.436191043908e-06 2.399999456373e+01 5.153271367641e-02
|
||||
7.83333 1.649130959657e-06 1.649130527734e-06 2.399999835082e+01 3.231654723603e-02
|
||||
8.16666 4.806491381349e-07 4.806490037618e-07 2.399999951932e+01 1.995365519780e-02
|
||||
8.49999 1.346725366297e-07 1.346724965600e-07 2.399999986531e+01 1.218958904147e-02
|
||||
8.83332 3.634765898121e-08 3.634764749889e-08 2.399999996364e+01 7.477287155023e-03
|
||||
9.16666 9.688623034758e-09 9.688619784608e-09 2.399999999030e+01 4.798487469932e-03
|
||||
9.49999 3.521368975345e-09 3.521367728343e-09 2.399999999647e+01 3.529761276500e-03
|
||||
9.83332 5.266906600210e-09 5.266904802523e-09 2.399999999473e+01 3.350250040814e-03
|
||||
10.1667 1.826871464229e-08 1.826870880179e-08 2.399999998173e+01 4.187235208024e-03
|
||||
10.5 6.734356349056e-08 6.734354321724e-08 2.399999993265e+01 6.195716013747e-03
|
||||
10.8333 2.402639314420e-07 2.402638634259e-07 2.399999975972e+01 9.768664012917e-03
|
||||
11.1667 8.242843018529e-07 8.242840830288e-07 2.399999917569e+01 1.557505013534e-02
|
||||
11.5 2.716922549622e-06 2.716921875355e-06 2.399999728304e+01 2.462264894634e-02
|
||||
11.8333 8.598959192629e-06 8.598957204455e-06 2.399999140098e+01 3.834165440468e-02
|
||||
12.1667 2.611819663843e-05 2.611819103332e-05 2.399997388172e+01 5.868305693642e-02
|
||||
12.5 7.608967015818e-05 7.608965506360e-05 2.399992391021e+01 8.822247450093e-02
|
||||
12.8333 2.124941138159e-04 2.124940750244e-04 2.399978750573e+01 1.302558794728e-01
|
||||
13.1667 5.685367828663e-04 5.685366878342e-04 2.399943146302e+01 1.888688939337e-01
|
||||
13.5 1.456506511045e-03 1.456506289366e-03 2.399854349330e+01 2.689568433449e-01
|
||||
13.8333 3.570772369452e-03 3.570771877688e-03 2.399642922755e+01 3.761696764498e-01
|
||||
14.1667 8.372702446682e-03 8.372701410658e-03 2.399162729781e+01 5.167554989987e-01
|
||||
14.5 1.876668623423e-02 1.876668416453e-02 2.398123331478e+01 6.972801618693e-01
|
||||
14.8333 4.018855158439e-02 4.018854767025e-02 2.395981145094e+01 9.242091443382e-01
|
||||
15.1667 8.218587185627e-02 8.218586486192e-02 2.391781413335e+01 1.203352315083e+00
|
||||
15.5 1.604262488969e-01 1.604262371112e-01 2.383957376064e+01 1.539191520809e+00
|
||||
15.8333 2.987859018573e-01 2.987858831713e-01 2.370121411405e+01 1.934133647613e+00
|
||||
16.1667 5.307585250720e-01 5.307584972550e-01 2.346924149941e+01 2.387754908519e+00
|
||||
16.5 8.989956902916e-01 8.989956514796e-01 2.310100434464e+01 2.896121734266e+00
|
||||
16.8333 1.451582042996e+00 1.451581992279e+00 2.254841800334e+01 3.451285434102e+00
|
||||
17.1666 2.233972730862e+00 2.233972668705e+00 2.176602732652e+01 4.041047732560e+00
|
||||
17.5 3.276610346604e+00 3.276610274786e+00 2.072338972025e+01 4.649079608373e+00
|
||||
17.8333 4.580032365347e+00 4.580032286252e+00 1.941996770886e+01 5.255445898747e+00
|
||||
18.1666 6.101263069883e+00 6.101262985404e+00 1.789873701010e+01 5.837544906611e+00
|
||||
18.5 7.746550873541e+00 7.746550784259e+00 1.625344921195e+01 6.371420572361e+00
|
||||
18.8333 9.375124349924e+00 9.375124255206e+00 1.462487574194e+01 6.833351769738e+00
|
||||
19.1666 1.081616435699e+01 1.081616425606e+01 1.318383574210e+01 7.201577340279e+00
|
||||
19.5 1.189711477283e+01 1.189711466608e+01 1.210288533294e+01 7.457984760668e+00
|
||||
19.8333 1.247718192302e+01 1.247718181270e+01 1.152281818682e+01 7.589581188843e+00
|
||||
0.166666 2.173421535788e+01 2.173421535523e+01 2.265784641841e+00 2.269804797032e+01
|
||||
0.499999 1.732877881413e+01 1.732877880856e+01 6.671221183719e+00 2.011807085409e+01
|
||||
0.833333 1.328084086748e+01 1.328084086143e+01 1.071915912763e+01 1.760856603200e+01
|
||||
1.16667 9.764795286473e+00 9.764795281334e+00 1.423520470602e+01 1.521227157403e+01
|
||||
1.5 6.876991640216e+00 6.876991636480e+00 1.712300835045e+01 1.296595961049e+01
|
||||
1.83333 4.633455928133e+00 4.633455925726e+00 1.936654406176e+01 1.089879733961e+01
|
||||
2.16666 2.983966658034e+00 2.983966656633e+00 2.101603333202e+01 9.031344427772e+00
|
||||
2.5 1.835677067050e+00 1.835677066307e+00 2.216432292382e+01 7.375229710906e+00
|
||||
2.83333 1.078314727713e+00 1.078314727352e+00 2.292168526435e+01 5.933476222844e+00
|
||||
3.16666 6.047305557783e-01 6.047305556192e-01 2.339526943761e+01 4.701379781821e+00
|
||||
3.5 3.237709470080e-01 3.237709469458e-01 2.367622904765e+01 3.667800399955e+00
|
||||
3.83333 1.655104664086e-01 1.655104663888e-01 2.383448952940e+01 2.816701882845e+00
|
||||
4.16666 8.080257204240e-02 8.080257203916e-02 2.391919742475e+01 2.128773573947e+00
|
||||
4.5 3.768568646672e-02 3.768568646884e-02 2.396231431113e+01 1.582986272154e+00
|
||||
4.83333 1.679767756894e-02 1.679767757208e-02 2.398320232066e+01 1.157966472263e+00
|
||||
5.16666 7.158752063679e-03 7.158752066396e-03 2.399284124666e+01 8.331126368302e-01
|
||||
5.49999 2.918449214332e-03 2.918449216318e-03 2.399708154988e+01 5.894176946330e-01
|
||||
5.83333 1.138722696040e-03 1.138722697370e-03 2.399886127668e+01 4.099979928623e-01
|
||||
6.16666 4.254688736287e-04 4.254688744685e-04 2.399957453070e+01 2.803568840130e-01
|
||||
6.49999 1.523139982618e-04 1.523139987677e-04 2.399984768571e+01 1.884293356575e-01
|
||||
6.83333 5.227267557720e-05 5.227267586951e-05 2.399994772714e+01 1.244625136586e-01
|
||||
7.16666 1.720732480116e-05 1.720732496337e-05 2.399998279255e+01 8.078763518550e-02
|
||||
7.49999 5.436192373459e-06 5.436192459917e-06 2.399999456373e+01 5.153271367857e-02
|
||||
7.83333 1.649130959657e-06 1.649131003862e-06 2.399999835082e+01 3.231654723820e-02
|
||||
8.16666 4.806491381349e-07 4.806491597502e-07 2.399999951932e+01 1.995365519989e-02
|
||||
8.49999 1.346725366297e-07 1.346725466539e-07 2.399999986531e+01 1.218958904341e-02
|
||||
8.83332 3.634765898121e-08 3.634766327824e-08 2.399999996364e+01 7.477287156792e-03
|
||||
9.16666 9.688623034758e-09 9.688624762886e-09 2.399999999031e+01 4.798487471579e-03
|
||||
9.49999 3.521368975345e-09 3.521370001221e-09 2.399999999648e+01 3.529761278079e-03
|
||||
9.83332 5.266906600210e-09 5.266907914408e-09 2.399999999473e+01 3.350250042338e-03
|
||||
10.1667 1.826871464229e-08 1.826871723647e-08 2.399999998173e+01 4.187235209478e-03
|
||||
10.5 6.734356349056e-08 6.734356950809e-08 2.399999993265e+01 6.195716015130e-03
|
||||
10.8333 2.402639314420e-07 2.402639446265e-07 2.399999975972e+01 9.768664014259e-03
|
||||
11.1667 8.242843018529e-07 8.242843291625e-07 2.399999917570e+01 1.557505013667e-02
|
||||
11.5 2.716922549622e-06 2.716922603586e-06 2.399999728304e+01 2.462264894765e-02
|
||||
11.8333 8.598959192629e-06 8.598959294736e-06 2.399999140099e+01 3.834165440595e-02
|
||||
12.1667 2.611819663843e-05 2.611819682375e-05 2.399997388172e+01 5.868305693760e-02
|
||||
12.5 7.608967015818e-05 7.608967048111e-05 2.399992391020e+01 8.822247450201e-02
|
||||
12.8333 2.124941138159e-04 2.124941143564e-04 2.399978750569e+01 1.302558794738e-01
|
||||
13.1667 5.685367828663e-04 5.685367837342e-04 2.399943146293e+01 1.888688939345e-01
|
||||
13.5 1.456506511045e-03 1.456506512378e-03 2.399854349308e+01 2.689568433456e-01
|
||||
13.8333 3.570772369452e-03 3.570772371397e-03 2.399642922706e+01 3.761696764505e-01
|
||||
14.1667 8.372702446682e-03 8.372702449332e-03 2.399162729676e+01 5.167554989993e-01
|
||||
14.5 1.876668623423e-02 1.876668623745e-02 2.398123331270e+01 6.972801618699e-01
|
||||
14.8333 4.018855158439e-02 4.018855158745e-02 2.395981144702e+01 9.242091443387e-01
|
||||
15.1667 8.218587185627e-02 8.218587185703e-02 2.391781412634e+01 1.203352315083e+00
|
||||
15.5 1.604262488969e-01 1.604262488902e-01 2.383957374884e+01 1.539191520809e+00
|
||||
15.8333 2.987859018573e-01 2.987859018324e-01 2.370121409537e+01 1.934133647612e+00
|
||||
16.1667 5.307585250720e-01 5.307585250088e-01 2.346924147163e+01 2.387754908518e+00
|
||||
16.5 8.989956902916e-01 8.989956901566e-01 2.310100430593e+01 2.896121734265e+00
|
||||
16.8333 1.451582042996e+00 1.451582042740e+00 2.254841795284e+01 3.451285434100e+00
|
||||
17.1666 2.233972730862e+00 2.233972730426e+00 2.176602726477e+01 4.041047732558e+00
|
||||
17.5 3.276610346604e+00 3.276610345932e+00 2.072338964908e+01 4.649079608372e+00
|
||||
17.8333 4.580032365347e+00 4.580032364419e+00 1.941996763068e+01 5.255445898748e+00
|
||||
18.1666 6.101263069883e+00 6.101263068745e+00 1.789873692676e+01 5.837544906615e+00
|
||||
18.5 7.746550873541e+00 7.746550872326e+00 1.625344912390e+01 6.371420572369e+00
|
||||
18.8333 9.375124349924e+00 9.375124348824e+00 1.462487564836e+01 6.833351769752e+00
|
||||
19.1666 1.081616435699e+01 1.081616435618e+01 1.318383564202e+01 7.201577340298e+00
|
||||
19.5 1.189711477283e+01 1.189711477237e+01 1.210288522671e+01 7.457984760690e+00
|
||||
19.8333 1.247718192302e+01 1.247718192280e+01 1.152281807678e+01 7.589581188868e+00
|
||||
|
||||
@ -61,6 +61,7 @@ Reading input data for simulation 1.
|
||||
NaX 0.048
|
||||
PRINT
|
||||
reset false
|
||||
status false
|
||||
COPY solution 20 58-60 # for 60-cell model
|
||||
COPY exchange 20 58-60 # for 60-cell model
|
||||
END
|
||||
@ -162,9 +163,9 @@ WARNING: No dispersivities were read; disp = 0 assumed.
|
||||
5.5000e+00 3.8208e-05 4.4560e-06 -4.0684e-06 -5.0253e-07
|
||||
6.5000e+00 2.2627e-05 2.6979e-06 -4.8926e-07 -4.8938e-08
|
||||
7.5000e+00 1.0547e-05 1.2626e-06 -3.9174e-08 -2.7009e-09
|
||||
8.5000e+00 3.8231e-06 2.9867e-07 -2.2318e-09 -9.0094e-11
|
||||
8.5000e+00 3.8231e-06 2.9867e-07 -2.2318e-09 -9.0095e-11
|
||||
|
||||
------------------------------
|
||||
End of Run after 2.28 Seconds.
|
||||
End of Run after 1.72 Seconds.
|
||||
------------------------------
|
||||
|
||||
|
||||
160
ex12a.sel
160
ex12a.sel
@ -19,26 +19,26 @@
|
||||
17.5 0.000000000000e+00 0.000000000000e+00 2.400000000010e+01 0.000000000000e+00
|
||||
18.5 0.000000000000e+00 0.000000000000e+00 2.400000000010e+01 0.000000000000e+00
|
||||
19.5 2.400000000000e+01 2.400000000000e+01 0.000000000000e+00 2.400000000000e+01
|
||||
0.5 1.686181418415e+01 1.686181416249e+01 7.138185829119e+00 2.011377529317e+01 4.381717870993e-06 5.063555650285e-04
|
||||
1.5 6.421492325960e+00 6.421492235311e+00 1.757850775134e+01 1.294968671943e+01 1.730376473479e-05 5.107740934088e-04
|
||||
2.5 1.759908541854e+00 1.759908480257e+00 2.224009151003e+01 7.342808261315e+00 3.561257290661e-05 9.048624111222e-05
|
||||
3.5 3.571924631562e-01 3.571924426734e-01 2.364280755215e+01 3.623408283685e+00 4.959925523547e-05 -3.731209440044e-05
|
||||
4.5 5.490209781370e-02 5.490209345156e-02 2.394509790434e+01 1.538555967130e+00 5.006313596671e-05 -1.979377364156e-05
|
||||
5.5 6.484238380348e-03 6.484237722813e-03 2.399351576153e+01 5.556625533108e-01 3.820767165763e-05 -4.068365720429e-06
|
||||
6.5 5.926340095484e-04 5.926339363923e-04 2.399940736591e+01 1.684990632467e-01 2.262672987219e-05 -4.892606991671e-07
|
||||
7.5 4.190926756604e-05 4.190926146120e-05 2.399995809077e+01 4.224784404201e-02 1.054699173428e-05 -3.917409982845e-08
|
||||
8.5 2.276345750780e-06 2.276345368105e-06 2.399999772374e+01 8.664946370886e-03 3.823149392516e-06 -2.231771344156e-09
|
||||
9.5 1.396593677778e-07 1.396593412047e-07 2.399999986044e+01 2.055609847091e-03
|
||||
10.5 1.138869021831e-06 1.138868831129e-06 2.399999886123e+01 4.374443607422e-03
|
||||
11.5 2.090811414205e-05 2.090811110270e-05 2.399997909196e+01 2.044715368546e-02
|
||||
12.5 2.951795282278e-04 2.951794917295e-04 2.399970482049e+01 7.995922685932e-02
|
||||
13.5 3.221164570742e-03 3.221164241451e-03 2.399677883547e+01 2.567109777338e-01
|
||||
14.5 2.715473190226e-02 2.715472969886e-02 2.397284526937e+01 6.850286499841e-01
|
||||
15.5 1.753541123879e-01 1.753541017854e-01 2.382464589607e+01 1.533872870597e+00
|
||||
16.5 8.525032220200e-01 8.525031874241e-01 2.314749680874e+01 2.902126148040e+00
|
||||
17.5 3.032149931402e+00 3.032149861441e+00 2.096785013349e+01 4.663139220091e+00
|
||||
18.5 7.550952821146e+00 7.550952733349e+00 1.644904726274e+01 6.385483516897e+00
|
||||
19.5 1.235834674495e+01 1.235834663656e+01 1.164165336305e+01 7.468268986414e+00
|
||||
0.5 1.686181418415e+01 1.686181417822e+01 7.138185813358e+00 2.011377529315e+01 4.381717890634e-06 5.063555492924e-04
|
||||
1.5 6.421492325960e+00 6.421492322352e+00 1.757850766418e+01 1.294968671937e+01 1.730376479399e-05 5.107740063679e-04
|
||||
2.5 1.759908541854e+00 1.759908541134e+00 2.224009144904e+01 7.342808261282e+00 3.561257293949e-05 9.048618023511e-05
|
||||
3.5 3.571924631562e-01 3.571924630798e-01 2.364280753168e+01 3.623408283676e+00 4.959925524422e-05 -3.731211480687e-05
|
||||
4.5 5.490209781370e-02 5.490209780975e-02 2.394509789995e+01 1.538555967128e+00 5.006313596799e-05 -1.979377799974e-05
|
||||
5.5 6.484238380348e-03 6.484238380292e-03 2.399351576086e+01 5.556625533108e-01 3.820767165765e-05 -4.068366377908e-06
|
||||
6.5 5.926340095484e-04 5.926340095851e-04 2.399940736583e+01 1.684990632467e-01 2.262672987214e-05 -4.892607723599e-07
|
||||
7.5 4.190926756604e-05 4.190926757943e-05 2.399995809077e+01 4.224784404202e-02 1.054699173426e-05 -3.917410594668e-08
|
||||
8.5 2.276345750780e-06 2.276345752617e-06 2.399999772374e+01 8.664946370890e-03 3.823149392512e-06 -2.231771728669e-09
|
||||
9.5 1.396593677778e-07 1.396593678755e-07 2.399999986043e+01 2.055609847092e-03
|
||||
10.5 1.138869021831e-06 1.138869022584e-06 2.399999886122e+01 4.374443607422e-03
|
||||
11.5 2.090811414205e-05 2.090811414867e-05 2.399997909195e+01 2.044715368546e-02
|
||||
12.5 2.951795282278e-04 2.951795282479e-04 2.399970482045e+01 7.995922685932e-02
|
||||
13.5 3.221164570742e-03 3.221164570781e-03 2.399677883514e+01 2.567109777338e-01
|
||||
14.5 2.715473190226e-02 2.715473190180e-02 2.397284526716e+01 6.850286499837e-01
|
||||
15.5 1.753541123879e-01 1.753541123732e-01 2.382464588546e+01 1.533872870595e+00
|
||||
16.5 8.525032220200e-01 8.525032218839e-01 2.314749677424e+01 2.902126148035e+00
|
||||
17.5 3.032149931402e+00 3.032149930756e+00 2.096785006414e+01 4.663139220082e+00
|
||||
18.5 7.550952821146e+00 7.550952819907e+00 1.644904717618e+01 6.385483516896e+00
|
||||
19.5 1.235834674495e+01 1.235834674475e+01 1.164165325490e+01 7.468268986428e+00
|
||||
dist_x temp
|
||||
-99 0.000000000000e+00
|
||||
-99 0.000000000000e+00
|
||||
@ -103,65 +103,65 @@
|
||||
19.1667 2.400000000000e+01 2.400000000000e+01 0.000000000000e+00 2.400000000000e+01
|
||||
19.5 2.400000000000e+01 2.400000000000e+01 0.000000000000e+00 2.400000000000e+01
|
||||
19.8333 2.400000000000e+01 2.400000000000e+01 0.000000000000e+00 2.400000000000e+01
|
||||
0.166667 2.173421305916e+01 2.173421304899e+01 2.265786948070e+00 2.269804666229e+01
|
||||
0.5 1.732877230198e+01 1.732877227200e+01 6.671227720283e+00 2.011806700214e+01 9.000890314331e-08 3.939745551201e-05
|
||||
0.833333 1.328083118787e+01 1.328083113738e+01 1.071916885171e+01 1.760855984590e+01
|
||||
1.16667 9.764783869793e+00 9.764783800229e+00 1.423521618718e+01 1.521226338234e+01
|
||||
1.5 6.876979954453e+00 6.876979872087e+00 1.712302011493e+01 1.296594983168e+01 1.040652484605e-06 5.528645663278e-05
|
||||
1.83333 4.633445178532e+00 4.633445093249e+00 1.936655489433e+01 1.089878644681e+01
|
||||
2.16667 2.983957613764e+00 2.983957535373e+00 2.101604245338e+01 9.031332911159e+00
|
||||
2.5 1.835670035272e+00 1.835669970379e+00 2.216433001985e+01 7.375218041932e+00 3.202792289077e-06 1.472475099014e-05
|
||||
2.83333 1.078309641703e+00 1.078309592721e+00 2.292169039907e+01 5.933464823776e+00
|
||||
3.16667 6.047271172834e-01 6.047270832304e-01 2.339527291006e+01 4.701369003162e+00
|
||||
3.5 3.237687663205e-01 3.237687443436e-01 2.367623125031e+01 3.667790507032e+00 5.217031888368e-06 -3.888396070611e-06
|
||||
3.83333 1.655091653734e-01 1.655091521266e-01 2.383449084371e+01 2.816693051606e+00
|
||||
4.16667 8.080184009388e-02 8.080183260108e-02 2.391919816422e+01 2.128765894912e+00
|
||||
4.5 3.768529738011e-02 3.768529338831e-02 2.396231470423e+01 1.582979760724e+00 5.639342372242e-06 -2.576973578311e-06
|
||||
4.83333 1.679748179371e-02 1.679747978477e-02 2.398320251846e+01 1.157961083143e+00
|
||||
5.16667 7.158658672534e-03 7.158657715168e-03 2.399284134102e+01 8.331082803349e-01
|
||||
5.5 2.918406916536e-03 2.918406483663e-03 2.399708159262e+01 5.894142528781e-01 4.455972090311e-06 -5.025344812795e-07
|
||||
5.83333 1.138704483513e-03 1.138704297501e-03 2.399886129508e+01 4.099953343103e-01
|
||||
6.16667 4.254614091982e-04 4.254613331212e-04 2.399957453824e+01 2.803548753963e-01
|
||||
6.5 1.523110828883e-04 1.523110532367e-04 2.399984768866e+01 1.884278508342e-01 2.697942284652e-06 -4.893781601148e-08
|
||||
6.83333 5.227158933236e-05 5.227157830623e-05 2.399994772823e+01 1.244614394092e-01
|
||||
7.16667 1.720693831522e-05 1.720693439931e-05 2.399998279294e+01 8.078687428780e-02
|
||||
7.5 5.436060934909e-06 5.436059605389e-06 2.399999456386e+01 5.153218578890e-02 1.262649987385e-06 -2.700897972632e-09
|
||||
7.83333 1.649088195275e-06 1.649087763363e-06 2.399999835086e+01 3.231618817415e-02
|
||||
8.16667 4.806358157844e-07 4.806356814150e-07 2.399999951933e+01 1.995341519396e-02
|
||||
8.5 1.346685590700e-07 1.346685190015e-07 2.399999986531e+01 1.218943044689e-02 2.986653165130e-07 -9.009449505276e-11
|
||||
8.83333 3.634651793240e-08 3.634650645043e-08 2.399999996364e+01 7.477181954097e-03
|
||||
9.16667 9.688299803978e-09 9.688296553935e-09 2.399999999030e+01 4.798414842272e-03
|
||||
9.5 3.521245209155e-09 3.521243962196e-09 2.399999999647e+01 3.529705335038e-03
|
||||
9.83333 5.266729325119e-09 5.266727527492e-09 2.399999999473e+01 3.350197790832e-03
|
||||
10.1667 1.826814042878e-08 1.826813458846e-08 2.399999998173e+01 4.187174718005e-03
|
||||
10.5 6.734157441183e-08 6.734155413909e-08 2.399999993265e+01 6.195634765136e-03
|
||||
10.8333 2.402572726136e-07 2.402572045993e-07 2.399999975973e+01 9.768547400294e-03
|
||||
11.1667 8.242629300769e-07 8.242627112582e-07 2.399999917571e+01 1.557488011749e-02
|
||||
11.5 2.716856871595e-06 2.716856197344e-06 2.399999728311e+01 2.462240289774e-02
|
||||
11.8333 8.598766106045e-06 8.598764117914e-06 2.399999140118e+01 3.834130427899e-02
|
||||
12.1667 2.611765408526e-05 2.611764848026e-05 2.399997388226e+01 5.868256891991e-02
|
||||
12.5 7.608821445992e-05 7.608819936561e-05 2.399992391167e+01 8.822180939102e-02
|
||||
12.8333 2.124903882618e-04 2.124903494709e-04 2.399978750945e+01 1.302549940488e-01
|
||||
13.1667 5.685276979853e-04 5.685276029545e-04 2.399943147211e+01 1.888677435752e-01
|
||||
13.5 1.456485427866e-03 1.456485206190e-03 2.399854351438e+01 2.689553860813e-01
|
||||
13.8333 3.570725867122e-03 3.570725375364e-03 2.399642927405e+01 3.761678784762e-01
|
||||
14.1667 8.372605102191e-03 8.372604066177e-03 2.399162739515e+01 5.167533414727e-01
|
||||
14.5 1.876649314861e-02 1.876649107893e-02 2.398123350787e+01 6.972776485199e-01
|
||||
14.8333 4.018818934234e-02 4.018818542823e-02 2.395981181319e+01 9.242063091061e-01
|
||||
15.1667 8.218523044497e-02 8.218522345066e-02 2.391781477476e+01 1.203349228727e+00
|
||||
15.5 1.604251797020e-01 1.604251679164e-01 2.383957482983e+01 1.539188295218e+00
|
||||
15.8333 2.987842293055e-01 2.987842106195e-01 2.370121578660e+01 1.934130436525e+00
|
||||
16.1667 5.307560799548e-01 5.307560521379e-01 2.346924394453e+01 2.387751903539e+00
|
||||
16.5 8.989923689458e-01 8.989923301339e-01 2.310100766598e+01 2.896119155487e+00
|
||||
16.8333 1.451577886835e+00 1.451577836118e+00 2.254842215950e+01 3.451283515303e+00
|
||||
17.1667 2.233968006579e+00 2.233967944423e+00 2.176603205081e+01 4.041046701771e+00
|
||||
17.5 3.276605594066e+00 3.276605522249e+00 2.072339447279e+01 4.649079665426e+00
|
||||
17.8333 4.580028376255e+00 4.580028297160e+00 1.941997169795e+01 5.255447192233e+00
|
||||
18.1667 6.101260773083e+00 6.101260688604e+00 1.789873930690e+01 5.837547513105e+00
|
||||
18.5 7.746551133353e+00 7.746551044070e+00 1.625344895214e+01 6.371424480884e+00
|
||||
18.8333 9.375127722697e+00 9.375127627978e+00 1.462487236917e+01 6.833356874044e+00
|
||||
19.1667 1.081617088116e+01 1.081617078022e+01 1.318382921794e+01 7.201583440698e+00
|
||||
19.5 1.189712387179e+01 1.189712376504e+01 1.210287623398e+01 7.457991576048e+00
|
||||
19.8333 1.247719247117e+01 1.247719236085e+01 1.152280763867e+01 7.589588377733e+00
|
||||
0.166667 2.173421305916e+01 2.173421305651e+01 2.265786940566e+00 2.269804666230e+01
|
||||
0.5 1.732877230198e+01 1.732877229641e+01 6.671227695874e+00 2.011806700215e+01 9.000888935226e-08 3.939743110815e-05
|
||||
0.833333 1.328083118787e+01 1.328083118183e+01 1.071916880723e+01 1.760855984591e+01
|
||||
1.16667 9.764783869793e+00 9.764783864657e+00 1.423521612269e+01 1.521226338234e+01
|
||||
1.5 6.876979954453e+00 6.876979950719e+00 1.712302003621e+01 1.296594983167e+01 1.040652499302e-06 5.528637800084e-05
|
||||
1.83333 4.633445178532e+00 4.633445176126e+00 1.936655481135e+01 1.089878644679e+01
|
||||
2.16667 2.983957613764e+00 2.983957612365e+00 2.101604237628e+01 9.031332911141e+00
|
||||
2.5 1.835670035272e+00 1.835670034529e+00 2.216432995560e+01 7.375218041919e+00 3.202792302644e-06 1.472468684012e-05
|
||||
2.83333 1.078309641703e+00 1.078309641343e+00 2.292169035036e+01 5.933464823767e+00
|
||||
3.16667 6.047271172834e-01 6.047271171246e-01 2.339527287610e+01 4.701369003157e+00
|
||||
3.5 3.237687663205e-01 3.237687662585e-01 2.367623122834e+01 3.667790507030e+00 5.217031890813e-06 -3.888417985572e-06
|
||||
3.83333 1.655091653734e-01 1.655091653538e-01 2.383449083044e+01 2.816693051605e+00
|
||||
4.16667 8.080184009388e-02 8.080184009069e-02 2.391919815669e+01 2.128765894912e+00
|
||||
4.5 3.768529738011e-02 3.768529738226e-02 2.396231470021e+01 1.582979760725e+00 5.639342371682e-06 -2.576977572255e-06
|
||||
4.83333 1.679748179371e-02 1.679748179686e-02 2.398320251643e+01 1.157961083144e+00
|
||||
5.16667 7.158658672534e-03 7.158658675254e-03 2.399284134005e+01 8.331082803359e-01
|
||||
5.5 2.918406916536e-03 2.918406918524e-03 2.399708159218e+01 5.894142528792e-01 4.455972089218e-06 -5.025349161402e-07
|
||||
5.83333 1.138704483513e-03 1.138704484844e-03 2.399886129488e+01 4.099953343116e-01
|
||||
6.16667 4.254614091982e-04 4.254614100382e-04 2.399957453816e+01 2.803548753978e-01
|
||||
6.5 1.523110828883e-04 1.523110833943e-04 2.399984768863e+01 1.884278508359e-01 2.697942282984e-06 -4.893784616902e-08
|
||||
6.83333 5.227158933236e-05 5.227158962467e-05 2.399994772822e+01 1.244614394111e-01
|
||||
7.16667 1.720693831522e-05 1.720693847743e-05 2.399998279294e+01 8.078687428985e-02
|
||||
7.5 5.436060934909e-06 5.436061021364e-06 2.399999456386e+01 5.153218579106e-02 1.262649985227e-06 -2.700899388607e-09
|
||||
7.83333 1.649088195275e-06 1.649088239478e-06 2.399999835086e+01 3.231618817632e-02
|
||||
8.16667 4.806358157844e-07 4.806358373990e-07 2.399999951933e+01 1.995341519605e-02
|
||||
8.5 1.346685590700e-07 1.346685690939e-07 2.399999986531e+01 1.218943044883e-02 2.986653145739e-07 -9.009454514519e-11
|
||||
8.83333 3.634651793240e-08 3.634652222929e-08 2.399999996364e+01 7.477181955867e-03
|
||||
9.16667 9.688299803978e-09 9.688301532045e-09 2.399999999030e+01 4.798414843919e-03
|
||||
9.5 3.521245209155e-09 3.521246234985e-09 2.399999999647e+01 3.529705336617e-03
|
||||
9.83333 5.266729325119e-09 5.266730639245e-09 2.399999999473e+01 3.350197792357e-03
|
||||
10.1667 1.826814042878e-08 1.826814302281e-08 2.399999998173e+01 4.187174719459e-03
|
||||
10.5 6.734157441183e-08 6.734158042895e-08 2.399999993265e+01 6.195634766519e-03
|
||||
10.8333 2.402572726136e-07 2.402572857970e-07 2.399999975973e+01 9.768547401637e-03
|
||||
11.1667 8.242629300769e-07 8.242629573832e-07 2.399999917571e+01 1.557488011882e-02
|
||||
11.5 2.716856871595e-06 2.716856925550e-06 2.399999728310e+01 2.462240289906e-02
|
||||
11.8333 8.598766106045e-06 8.598766208127e-06 2.399999140117e+01 3.834130428025e-02
|
||||
12.1667 2.611765408526e-05 2.611765427051e-05 2.399997388225e+01 5.868256892109e-02
|
||||
12.5 7.608821445992e-05 7.608821478268e-05 2.399992391165e+01 8.822180939210e-02
|
||||
12.8333 2.124903882618e-04 2.124903888018e-04 2.399978750941e+01 1.302549940497e-01
|
||||
13.1667 5.685276979853e-04 5.685276988521e-04 2.399943147201e+01 1.888677435760e-01
|
||||
13.5 1.456485427866e-03 1.456485429197e-03 2.399854351416e+01 2.689553860820e-01
|
||||
13.8333 3.570725867122e-03 3.570725869063e-03 2.399642927355e+01 3.761678784769e-01
|
||||
14.1667 8.372605102191e-03 8.372605104830e-03 2.399162739410e+01 5.167533414733e-01
|
||||
14.5 1.876649314861e-02 1.876649315182e-02 2.398123350579e+01 6.972776485204e-01
|
||||
14.8333 4.018818934234e-02 4.018818934538e-02 2.395981180926e+01 9.242063091066e-01
|
||||
15.1667 8.218523044497e-02 8.218523044567e-02 2.391781476775e+01 1.203349228728e+00
|
||||
15.5 1.604251797020e-01 1.604251796952e-01 2.383957481803e+01 1.539188295218e+00
|
||||
15.8333 2.987842293055e-01 2.987842292804e-01 2.370121576792e+01 1.934130436525e+00
|
||||
16.1667 5.307560799548e-01 5.307560798914e-01 2.346924391675e+01 2.387751903538e+00
|
||||
16.5 8.989923689458e-01 8.989923688104e-01 2.310100762727e+01 2.896119155485e+00
|
||||
16.8333 1.451577886835e+00 1.451577886579e+00 2.254842210900e+01 3.451283515301e+00
|
||||
17.1667 2.233968006579e+00 2.233968006143e+00 2.176603198905e+01 4.041046701768e+00
|
||||
17.5 3.276605594066e+00 3.276605593394e+00 2.072339440162e+01 4.649079665424e+00
|
||||
17.8333 4.580028376255e+00 4.580028375326e+00 1.941997161977e+01 5.255447192234e+00
|
||||
18.1667 6.101260773083e+00 6.101260771944e+00 1.789873922356e+01 5.837547513109e+00
|
||||
18.5 7.746551133353e+00 7.746551132136e+00 1.625344886408e+01 6.371424480893e+00
|
||||
18.8333 9.375127722697e+00 9.375127721595e+00 1.462487227558e+01 6.833356874057e+00
|
||||
19.1667 1.081617088116e+01 1.081617088034e+01 1.318382911786e+01 7.201583440716e+00
|
||||
19.5 1.189712387179e+01 1.189712387132e+01 1.210287612775e+01 7.457991576070e+00
|
||||
19.8333 1.247719247117e+01 1.247719247095e+01 1.152280752863e+01 7.589588377757e+00
|
||||
dist_x temp Na_mmol K_mmol Cl_mmol error_Cl error_Na
|
||||
-99 25.000 0.0000e+00 0.0000e+00 0.0000e+00
|
||||
|
||||
25
ex13a.out
25
ex13a.out
@ -56,6 +56,7 @@ Initial solution 0.
|
||||
pe = 13.622 Equilibrium with O2(g)
|
||||
Specific Conductance (uS/cm, 25 oC) = 192
|
||||
Density (g/cm3) = 0.99712
|
||||
Volume (L) = 1.00302
|
||||
Activity of water = 1.000
|
||||
Ionic strength = 1.500e-03
|
||||
Mass of water (kg) = 1.000e+00
|
||||
@ -85,7 +86,6 @@ N(5) 1.000e-03
|
||||
NO3- 1.000e-03 9.572e-04 -3.000 -3.019 -0.019 29.46
|
||||
Na 1.000e-03
|
||||
Na+ 1.000e-03 9.580e-04 -3.000 -3.019 -0.019 -1.19
|
||||
NaOH 9.597e-21 9.600e-21 -20.018 -20.018 0.000 (0)
|
||||
O(0) 5.110e-04
|
||||
O2 2.555e-04 2.556e-04 -3.593 -3.592 0.000 30.40
|
||||
|
||||
@ -140,14 +140,15 @@ Initial solution 1.
|
||||
pe = 13.622 Equilibrium with O2(g)
|
||||
Specific Conductance (uS/cm, 25 oC) = 141
|
||||
Density (g/cm3) = 0.99711
|
||||
Volume (L) = 1.00301
|
||||
Activity of water = 1.000
|
||||
Ionic strength = 1.000e-03
|
||||
Mass of water (kg) = 1.000e+00
|
||||
Total alkalinity (eq/kg) = 4.521e-10
|
||||
Total alkalinity (eq/kg) = 4.186e-10
|
||||
Total carbon (mol/kg) = 0.000e+00
|
||||
Total CO2 (mol/kg) = 0.000e+00
|
||||
Temperature (deg C) = 25.00
|
||||
Electrical balance (eq) = -4.521e-10
|
||||
Electrical balance (eq) = -4.186e-10
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
|
||||
Iterations = 3
|
||||
Total H = 1.110124e+02
|
||||
@ -165,7 +166,6 @@ H(0) 0.000e+00
|
||||
H2 0.000e+00 0.000e+00 -44.394 -44.394 0.000 28.61
|
||||
K 1.000e-03
|
||||
K+ 1.000e-03 9.649e-04 -3.000 -3.016 -0.016 8.93
|
||||
KOH 3.345e-11 3.345e-11 -10.476 -10.476 0.000 (0)
|
||||
N(5) 1.000e-03
|
||||
NO3- 1.000e-03 9.647e-04 -3.000 -3.016 -0.016 29.45
|
||||
O(0) 5.111e-04
|
||||
@ -225,16 +225,17 @@ X 1.000e-03 mol
|
||||
pe = 13.622 Adjusted to redox equilibrium
|
||||
Specific Conductance (uS/cm, 25 oC) = 141
|
||||
Density (g/cm3) = 0.99711
|
||||
Volume (L) = 1.00301
|
||||
Activity of water = 1.000
|
||||
Ionic strength = 1.000e-03
|
||||
Mass of water (kg) = 1.000e+00
|
||||
Total alkalinity (eq/kg) = 4.521e-10
|
||||
Total alkalinity (eq/kg) = 4.186e-10
|
||||
Total carbon (mol/kg) = 0.000e+00
|
||||
Total CO2 (mol/kg) = 0.000e+00
|
||||
Temperature (deg C) = 25.00
|
||||
Electrical balance (eq) = -4.521e-10
|
||||
Electrical balance (eq) = -4.186e-10
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
|
||||
Iterations = 5
|
||||
Iterations = 0
|
||||
Total H = 1.110124e+02
|
||||
Total O = 5.550973e+01
|
||||
|
||||
@ -250,7 +251,6 @@ H(0) 0.000e+00
|
||||
H2 0.000e+00 0.000e+00 -44.394 -44.394 0.000 28.61
|
||||
K 1.000e-03
|
||||
K+ 1.000e-03 9.649e-04 -3.000 -3.016 -0.016 8.93
|
||||
KOH 3.345e-11 3.345e-11 -10.476 -10.476 0.000 (0)
|
||||
N(-3) 0.000e+00
|
||||
NH4+ 0.000e+00 0.000e+00 -62.898 -62.914 -0.016 18.02
|
||||
NH3 0.000e+00 0.000e+00 -65.158 -65.158 0.000 24.31
|
||||
@ -271,7 +271,7 @@ O(0) 5.111e-04
|
||||
H2O(g) -1.50 -0.00 1.50 H2O
|
||||
N2(g) -15.99 -19.17 -3.18 N2
|
||||
NH3(g) -66.95 -65.16 1.80 NH3
|
||||
O2(g) -0.70 -3.59 -2.89 O2 Pressure 0.2 atm, phi 1.000.
|
||||
O2(g) -0.70 -3.59 -2.89 O2
|
||||
|
||||
|
||||
------------------
|
||||
@ -284,6 +284,7 @@ Reading input data for simulation 3.
|
||||
|
||||
PRINT
|
||||
reset false
|
||||
status false
|
||||
TRANSPORT
|
||||
cells 20
|
||||
shifts 5
|
||||
@ -316,7 +317,7 @@ WARNING: Dispersivities were read for 1 cells. Last value is used till cell 20.
|
||||
shifts 10
|
||||
punch_cells 1-20
|
||||
punch_frequency 10
|
||||
USER_GRAPH Example 13A
|
||||
USER_GRAPH 1 Example 13A
|
||||
-headings Distance Na Cl
|
||||
-chart_title "Dual Porosity, First-Order Exchange with Implicit Mixing Factors"
|
||||
-axis_titles "DISTANCE, IN METERS" "MILLIMOLES PER KILOGRAM WATER"
|
||||
@ -326,9 +327,9 @@ WARNING: Dispersivities were read for 1 cells. Last value is used till cell 20.
|
||||
-start
|
||||
10 GRAPH_X DIST
|
||||
20 GRAPH_Y TOT("Na")*1000 TOT("Cl")*1000
|
||||
-end
|
||||
-end
|
||||
END
|
||||
------------------------------
|
||||
End of Run after 0.37 Seconds.
|
||||
End of Run after 0.27 Seconds.
|
||||
------------------------------
|
||||
|
||||
|
||||
33
ex13ac.out
33
ex13ac.out
@ -56,6 +56,7 @@ Initial solution 0.
|
||||
pe = 13.622 Equilibrium with O2(g)
|
||||
Specific Conductance (uS/cm, 25 oC) = 192
|
||||
Density (g/cm3) = 0.99712
|
||||
Volume (L) = 1.00302
|
||||
Activity of water = 1.000
|
||||
Ionic strength = 1.500e-03
|
||||
Mass of water (kg) = 1.000e+00
|
||||
@ -85,7 +86,6 @@ N(5) 1.000e-03
|
||||
NO3- 1.000e-03 9.572e-04 -3.000 -3.019 -0.019 29.46
|
||||
Na 1.000e-03
|
||||
Na+ 1.000e-03 9.580e-04 -3.000 -3.019 -0.019 -1.19
|
||||
NaOH 9.597e-21 9.600e-21 -20.018 -20.018 0.000 (0)
|
||||
O(0) 5.110e-04
|
||||
O2 2.555e-04 2.556e-04 -3.593 -3.592 0.000 30.40
|
||||
|
||||
@ -140,14 +140,15 @@ Initial solution 1.
|
||||
pe = 13.622 Equilibrium with O2(g)
|
||||
Specific Conductance (uS/cm, 25 oC) = 141
|
||||
Density (g/cm3) = 0.99711
|
||||
Volume (L) = 1.00301
|
||||
Activity of water = 1.000
|
||||
Ionic strength = 1.000e-03
|
||||
Mass of water (kg) = 1.000e+00
|
||||
Total alkalinity (eq/kg) = 4.521e-10
|
||||
Total alkalinity (eq/kg) = 4.186e-10
|
||||
Total carbon (mol/kg) = 0.000e+00
|
||||
Total CO2 (mol/kg) = 0.000e+00
|
||||
Temperature (deg C) = 25.00
|
||||
Electrical balance (eq) = -4.521e-10
|
||||
Electrical balance (eq) = -4.186e-10
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
|
||||
Iterations = 3
|
||||
Total H = 1.110124e+02
|
||||
@ -165,7 +166,6 @@ H(0) 0.000e+00
|
||||
H2 0.000e+00 0.000e+00 -44.394 -44.394 0.000 28.61
|
||||
K 1.000e-03
|
||||
K+ 1.000e-03 9.649e-04 -3.000 -3.016 -0.016 8.93
|
||||
KOH 3.345e-11 3.345e-11 -10.476 -10.476 0.000 (0)
|
||||
N(5) 1.000e-03
|
||||
NO3- 1.000e-03 9.647e-04 -3.000 -3.016 -0.016 29.45
|
||||
O(0) 5.111e-04
|
||||
@ -225,16 +225,17 @@ X 1.000e-03 mol
|
||||
pe = 13.622 Adjusted to redox equilibrium
|
||||
Specific Conductance (uS/cm, 25 oC) = 141
|
||||
Density (g/cm3) = 0.99711
|
||||
Volume (L) = 1.00301
|
||||
Activity of water = 1.000
|
||||
Ionic strength = 1.000e-03
|
||||
Mass of water (kg) = 1.000e+00
|
||||
Total alkalinity (eq/kg) = 4.521e-10
|
||||
Total alkalinity (eq/kg) = 4.186e-10
|
||||
Total carbon (mol/kg) = 0.000e+00
|
||||
Total CO2 (mol/kg) = 0.000e+00
|
||||
Temperature (deg C) = 25.00
|
||||
Electrical balance (eq) = -4.521e-10
|
||||
Electrical balance (eq) = -4.186e-10
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
|
||||
Iterations = 5
|
||||
Iterations = 0
|
||||
Total H = 1.110124e+02
|
||||
Total O = 5.550973e+01
|
||||
|
||||
@ -250,7 +251,6 @@ H(0) 0.000e+00
|
||||
H2 0.000e+00 0.000e+00 -44.394 -44.394 0.000 28.61
|
||||
K 1.000e-03
|
||||
K+ 1.000e-03 9.649e-04 -3.000 -3.016 -0.016 8.93
|
||||
KOH 3.345e-11 3.345e-11 -10.476 -10.476 0.000 (0)
|
||||
N(-3) 0.000e+00
|
||||
NH4+ 0.000e+00 0.000e+00 -62.898 -62.914 -0.016 18.02
|
||||
NH3 0.000e+00 0.000e+00 -65.158 -65.158 0.000 24.31
|
||||
@ -271,7 +271,7 @@ O(0) 5.111e-04
|
||||
H2O(g) -1.50 -0.00 1.50 H2O
|
||||
N2(g) -15.99 -19.17 -3.18 N2
|
||||
NH3(g) -66.95 -65.16 1.80 NH3
|
||||
O2(g) -0.70 -3.59 -2.89 O2 Pressure 0.2 atm, phi 1.000.
|
||||
O2(g) -0.70 -3.59 -2.89 O2
|
||||
|
||||
|
||||
------------------
|
||||
@ -284,6 +284,7 @@ Reading input data for simulation 3.
|
||||
|
||||
PRINT
|
||||
reset false
|
||||
status false
|
||||
TRANSPORT
|
||||
cells 20
|
||||
shifts 5
|
||||
@ -316,7 +317,7 @@ WARNING: Dispersivities were read for 1 cells. Last value is used till cell 20.
|
||||
shifts 10
|
||||
punch_cells 1-20
|
||||
punch_frequency 10
|
||||
USER_GRAPH Examples 13A and 13C
|
||||
USER_GRAPH 1 Examples 13A and 13C
|
||||
-headings 1st_Order Na Cl
|
||||
-chart_title "Dual Porosity, First Order and Finite Difference Approximations"
|
||||
-axis_titles "DISTANCE, IN METERS" "MILLIMOLES PER KILOGRAM WATER"
|
||||
@ -327,7 +328,7 @@ WARNING: Dispersivities were read for 1 cells. Last value is used till cell 20.
|
||||
10 plot_xy -1, -1, line_width = 0, symbol_size = 0
|
||||
20 plot_xy dist, TOT("Na")*1000, color = Red, symbol = Square
|
||||
30 plot_xy dist, TOT("Cl")*1000, color = Green, symbol = Diamond, symbol_size = 7
|
||||
-end
|
||||
-end
|
||||
END
|
||||
PRINT
|
||||
user_graph false
|
||||
@ -831,15 +832,15 @@ WARNING: Dispersivities were read for 1 cells. Last value is used till cell 20.
|
||||
shifts 10
|
||||
punch_cells 1-20
|
||||
punch_frequency 10
|
||||
USER_GRAPH
|
||||
USER_GRAPH 1
|
||||
-headings Finite_Diff Na Cl
|
||||
-start
|
||||
10 plot_xy -1, -1, line_width = 0, symbol_size = 0
|
||||
20 plot_xy dist, TOT("Na")*1000, color = Red, symbol = Plus
|
||||
30 plot_xy dist, TOT("Cl")*1000, color = Green, symbol = Plus
|
||||
-end
|
||||
-end
|
||||
END
|
||||
-----------------------------
|
||||
End of Run after 1.2 Seconds.
|
||||
-----------------------------
|
||||
------------------------------
|
||||
End of Run after 0.75 Seconds.
|
||||
------------------------------
|
||||
|
||||
|
||||
25
ex13b.out
25
ex13b.out
@ -56,6 +56,7 @@ Initial solution 0.
|
||||
pe = 13.622 Equilibrium with O2(g)
|
||||
Specific Conductance (uS/cm, 25 oC) = 192
|
||||
Density (g/cm3) = 0.99712
|
||||
Volume (L) = 1.00302
|
||||
Activity of water = 1.000
|
||||
Ionic strength = 1.500e-03
|
||||
Mass of water (kg) = 1.000e+00
|
||||
@ -85,7 +86,6 @@ N(5) 1.000e-03
|
||||
NO3- 1.000e-03 9.572e-04 -3.000 -3.019 -0.019 29.46
|
||||
Na 1.000e-03
|
||||
Na+ 1.000e-03 9.580e-04 -3.000 -3.019 -0.019 -1.19
|
||||
NaOH 9.597e-21 9.600e-21 -20.018 -20.018 0.000 (0)
|
||||
O(0) 5.110e-04
|
||||
O2 2.555e-04 2.556e-04 -3.593 -3.592 0.000 30.40
|
||||
|
||||
@ -140,14 +140,15 @@ Initial solution 1.
|
||||
pe = 13.622 Equilibrium with O2(g)
|
||||
Specific Conductance (uS/cm, 25 oC) = 141
|
||||
Density (g/cm3) = 0.99711
|
||||
Volume (L) = 1.00301
|
||||
Activity of water = 1.000
|
||||
Ionic strength = 1.000e-03
|
||||
Mass of water (kg) = 1.000e+00
|
||||
Total alkalinity (eq/kg) = 4.521e-10
|
||||
Total alkalinity (eq/kg) = 4.186e-10
|
||||
Total carbon (mol/kg) = 0.000e+00
|
||||
Total CO2 (mol/kg) = 0.000e+00
|
||||
Temperature (deg C) = 25.00
|
||||
Electrical balance (eq) = -4.521e-10
|
||||
Electrical balance (eq) = -4.186e-10
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
|
||||
Iterations = 3
|
||||
Total H = 1.110124e+02
|
||||
@ -165,7 +166,6 @@ H(0) 0.000e+00
|
||||
H2 0.000e+00 0.000e+00 -44.394 -44.394 0.000 28.61
|
||||
K 1.000e-03
|
||||
K+ 1.000e-03 9.649e-04 -3.000 -3.016 -0.016 8.93
|
||||
KOH 3.345e-11 3.345e-11 -10.476 -10.476 0.000 (0)
|
||||
N(5) 1.000e-03
|
||||
NO3- 1.000e-03 9.647e-04 -3.000 -3.016 -0.016 29.45
|
||||
O(0) 5.111e-04
|
||||
@ -225,16 +225,17 @@ X 1.000e-03 mol
|
||||
pe = 13.622 Adjusted to redox equilibrium
|
||||
Specific Conductance (uS/cm, 25 oC) = 141
|
||||
Density (g/cm3) = 0.99711
|
||||
Volume (L) = 1.00301
|
||||
Activity of water = 1.000
|
||||
Ionic strength = 1.000e-03
|
||||
Mass of water (kg) = 1.000e+00
|
||||
Total alkalinity (eq/kg) = 4.521e-10
|
||||
Total alkalinity (eq/kg) = 4.186e-10
|
||||
Total carbon (mol/kg) = 0.000e+00
|
||||
Total CO2 (mol/kg) = 0.000e+00
|
||||
Temperature (deg C) = 25.00
|
||||
Electrical balance (eq) = -4.521e-10
|
||||
Electrical balance (eq) = -4.186e-10
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
|
||||
Iterations = 5
|
||||
Iterations = 0
|
||||
Total H = 1.110124e+02
|
||||
Total O = 5.550973e+01
|
||||
|
||||
@ -250,7 +251,6 @@ H(0) 0.000e+00
|
||||
H2 0.000e+00 0.000e+00 -44.394 -44.394 0.000 28.61
|
||||
K 1.000e-03
|
||||
K+ 1.000e-03 9.649e-04 -3.000 -3.016 -0.016 8.93
|
||||
KOH 3.345e-11 3.345e-11 -10.476 -10.476 0.000 (0)
|
||||
N(-3) 0.000e+00
|
||||
NH4+ 0.000e+00 0.000e+00 -62.898 -62.914 -0.016 18.02
|
||||
NH3 0.000e+00 0.000e+00 -65.158 -65.158 0.000 24.31
|
||||
@ -271,7 +271,7 @@ O(0) 5.111e-04
|
||||
H2O(g) -1.50 -0.00 1.50 H2O
|
||||
N2(g) -15.99 -19.17 -3.18 N2
|
||||
NH3(g) -66.95 -65.16 1.80 NH3
|
||||
O2(g) -0.70 -3.59 -2.89 O2 Pressure 0.2 atm, phi 1.000.
|
||||
O2(g) -0.70 -3.59 -2.89 O2
|
||||
|
||||
|
||||
------------------
|
||||
@ -284,6 +284,7 @@ Reading input data for simulation 3.
|
||||
|
||||
PRINT
|
||||
reset false
|
||||
status false
|
||||
MIX 1
|
||||
1 .93038
|
||||
22 .06962
|
||||
@ -436,7 +437,7 @@ WARNING: Dispersivities were read for 1 cells. Last value is used till cell 20.
|
||||
shifts 10
|
||||
punch_cells 1-20
|
||||
punch_frequency 10
|
||||
USER_GRAPH Example 13B
|
||||
USER_GRAPH 1 Example 13B
|
||||
-headings Distance Na Cl
|
||||
-chart_title "Dual Porosity, First-Order Exchange with Explicit Mixing Factors"
|
||||
-axis_titles "DISTANCE, IN METERS" "MILLIMOLES PER KILOGRAM WATER"
|
||||
@ -446,9 +447,9 @@ WARNING: Dispersivities were read for 1 cells. Last value is used till cell 20.
|
||||
-start
|
||||
10 GRAPH_X DIST
|
||||
20 GRAPH_Y TOT("Na")*1000 TOT("Cl")*1000
|
||||
-end
|
||||
-end
|
||||
END
|
||||
------------------------------
|
||||
End of Run after 0.52 Seconds.
|
||||
End of Run after 0.26 Seconds.
|
||||
------------------------------
|
||||
|
||||
|
||||
25
ex13c.out
25
ex13c.out
@ -56,6 +56,7 @@ Initial solution 0.
|
||||
pe = 13.622 Equilibrium with O2(g)
|
||||
Specific Conductance (uS/cm, 25 oC) = 192
|
||||
Density (g/cm3) = 0.99712
|
||||
Volume (L) = 1.00302
|
||||
Activity of water = 1.000
|
||||
Ionic strength = 1.500e-03
|
||||
Mass of water (kg) = 1.000e+00
|
||||
@ -85,7 +86,6 @@ N(5) 1.000e-03
|
||||
NO3- 1.000e-03 9.572e-04 -3.000 -3.019 -0.019 29.46
|
||||
Na 1.000e-03
|
||||
Na+ 1.000e-03 9.580e-04 -3.000 -3.019 -0.019 -1.19
|
||||
NaOH 9.597e-21 9.600e-21 -20.018 -20.018 0.000 (0)
|
||||
O(0) 5.110e-04
|
||||
O2 2.555e-04 2.556e-04 -3.593 -3.592 0.000 30.40
|
||||
|
||||
@ -140,14 +140,15 @@ Initial solution 1.
|
||||
pe = 13.622 Equilibrium with O2(g)
|
||||
Specific Conductance (uS/cm, 25 oC) = 141
|
||||
Density (g/cm3) = 0.99711
|
||||
Volume (L) = 1.00301
|
||||
Activity of water = 1.000
|
||||
Ionic strength = 1.000e-03
|
||||
Mass of water (kg) = 1.000e+00
|
||||
Total alkalinity (eq/kg) = 4.521e-10
|
||||
Total alkalinity (eq/kg) = 4.186e-10
|
||||
Total carbon (mol/kg) = 0.000e+00
|
||||
Total CO2 (mol/kg) = 0.000e+00
|
||||
Temperature (deg C) = 25.00
|
||||
Electrical balance (eq) = -4.521e-10
|
||||
Electrical balance (eq) = -4.186e-10
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
|
||||
Iterations = 3
|
||||
Total H = 1.110124e+02
|
||||
@ -165,7 +166,6 @@ H(0) 0.000e+00
|
||||
H2 0.000e+00 0.000e+00 -44.394 -44.394 0.000 28.61
|
||||
K 1.000e-03
|
||||
K+ 1.000e-03 9.649e-04 -3.000 -3.016 -0.016 8.93
|
||||
KOH 3.345e-11 3.345e-11 -10.476 -10.476 0.000 (0)
|
||||
N(5) 1.000e-03
|
||||
NO3- 1.000e-03 9.647e-04 -3.000 -3.016 -0.016 29.45
|
||||
O(0) 5.111e-04
|
||||
@ -225,16 +225,17 @@ X 1.000e-03 mol
|
||||
pe = 13.622 Adjusted to redox equilibrium
|
||||
Specific Conductance (uS/cm, 25 oC) = 141
|
||||
Density (g/cm3) = 0.99711
|
||||
Volume (L) = 1.00301
|
||||
Activity of water = 1.000
|
||||
Ionic strength = 1.000e-03
|
||||
Mass of water (kg) = 1.000e+00
|
||||
Total alkalinity (eq/kg) = 4.521e-10
|
||||
Total alkalinity (eq/kg) = 4.186e-10
|
||||
Total carbon (mol/kg) = 0.000e+00
|
||||
Total CO2 (mol/kg) = 0.000e+00
|
||||
Temperature (deg C) = 25.00
|
||||
Electrical balance (eq) = -4.521e-10
|
||||
Electrical balance (eq) = -4.186e-10
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
|
||||
Iterations = 5
|
||||
Iterations = 0
|
||||
Total H = 1.110124e+02
|
||||
Total O = 5.550973e+01
|
||||
|
||||
@ -250,7 +251,6 @@ H(0) 0.000e+00
|
||||
H2 0.000e+00 0.000e+00 -44.394 -44.394 0.000 28.61
|
||||
K 1.000e-03
|
||||
K+ 1.000e-03 9.649e-04 -3.000 -3.016 -0.016 8.93
|
||||
KOH 3.345e-11 3.345e-11 -10.476 -10.476 0.000 (0)
|
||||
N(-3) 0.000e+00
|
||||
NH4+ 0.000e+00 0.000e+00 -62.898 -62.914 -0.016 18.02
|
||||
NH3 0.000e+00 0.000e+00 -65.158 -65.158 0.000 24.31
|
||||
@ -271,7 +271,7 @@ O(0) 5.111e-04
|
||||
H2O(g) -1.50 -0.00 1.50 H2O
|
||||
N2(g) -15.99 -19.17 -3.18 N2
|
||||
NH3(g) -66.95 -65.16 1.80 NH3
|
||||
O2(g) -0.70 -3.59 -2.89 O2 Pressure 0.2 atm, phi 1.000.
|
||||
O2(g) -0.70 -3.59 -2.89 O2
|
||||
|
||||
|
||||
------------------
|
||||
@ -284,6 +284,7 @@ Reading input data for simulation 3.
|
||||
|
||||
PRINT
|
||||
reset false
|
||||
status false
|
||||
MIX 1
|
||||
1 0.90712
|
||||
22 0.09288
|
||||
@ -756,7 +757,7 @@ WARNING: Dispersivities were read for 1 cells. Last value is used till cell 20.
|
||||
shifts 10
|
||||
punch_cells 1-20
|
||||
punch_frequency 10
|
||||
USER_GRAPH Example 13C
|
||||
USER_GRAPH 1 Example 13C
|
||||
-headings Distance Na Cl
|
||||
-chart_title "Dual Porosity, Finite-Difference Approximation"
|
||||
-axis_titles "DISTANCE, IN METERS" "MILLIMOLES PER KILOGRAM WATER"
|
||||
@ -766,9 +767,9 @@ WARNING: Dispersivities were read for 1 cells. Last value is used till cell 20.
|
||||
-start
|
||||
10 GRAPH_X DIST
|
||||
20 GRAPH_Y TOT("Na")*1000 TOT("Cl")*1000
|
||||
-end
|
||||
-end
|
||||
END
|
||||
------------------------------
|
||||
End of Run after 0.89 Seconds.
|
||||
End of Run after 0.51 Seconds.
|
||||
------------------------------
|
||||
|
||||
|
||||
402
ex14.sel
402
ex14.sel
@ -1,202 +1,202 @@
|
||||
step m_Ca m_Mg m_Na umol_As pH mmol_sorbedAs
|
||||
1 4.6431e-01 1.6164e-01 5.4020e+00 2.5000e-02 5.3498e+00 0.0000e+00
|
||||
1 5.3631e-04 3.7908e-04 1.0442e-01 1.7630e-04 7.0235e+00 9.8095e-01
|
||||
2 3.7563e-05 2.5660e-05 2.6090e-02 1.6081e-02 8.4907e+00 9.8094e-01
|
||||
3 1.6261e-05 1.0213e-05 1.4868e-02 1.7063e-01 9.1083e+00 9.8077e-01
|
||||
4 1.3699e-05 8.3486e-06 1.2539e-02 3.2311e-01 9.2765e+00 9.8044e-01
|
||||
5 1.3186e-05 7.9766e-06 1.1701e-02 3.8576e-01 9.3229e+00 9.8006e-01
|
||||
6 1.3215e-05 7.9995e-06 1.1300e-02 3.9398e-01 9.3277e+00 9.7966e-01
|
||||
7 1.3448e-05 8.1717e-06 1.1064e-02 3.7878e-01 9.3165e+00 9.7928e-01
|
||||
8 1.3773e-05 8.4111e-06 1.0899e-02 3.5540e-01 9.2988e+00 9.7893e-01
|
||||
9 1.4146e-05 8.6855e-06 1.0768e-02 3.3023e-01 9.2787e+00 9.7860e-01
|
||||
10 1.4548e-05 8.9812e-06 1.0654e-02 3.0572e-01 9.2578e+00 9.7829e-01
|
||||
11 1.4972e-05 9.2928e-06 1.0551e-02 2.8270e-01 9.2367e+00 9.7801e-01
|
||||
12 1.5415e-05 9.6182e-06 1.0456e-02 2.6136e-01 9.2157e+00 9.7775e-01
|
||||
13 1.5875e-05 9.9570e-06 1.0367e-02 2.4168e-01 9.1948e+00 9.7751e-01
|
||||
14 1.6355e-05 1.0309e-05 1.0282e-02 2.2355e-01 9.1741e+00 9.7728e-01
|
||||
15 1.6853e-05 1.0676e-05 1.0202e-02 2.0682e-01 9.1536e+00 9.7708e-01
|
||||
16 1.7372e-05 1.1057e-05 1.0126e-02 1.9139e-01 9.1332e+00 9.7689e-01
|
||||
17 1.7913e-05 1.1455e-05 1.0054e-02 1.7714e-01 9.1129e+00 9.7671e-01
|
||||
18 1.8476e-05 1.1869e-05 9.9853e-03 1.6397e-01 9.0928e+00 9.7654e-01
|
||||
19 1.9064e-05 1.2301e-05 9.9195e-03 1.5177e-01 9.0727e+00 9.7639e-01
|
||||
20 1.9678e-05 1.2753e-05 9.8566e-03 1.4048e-01 9.0527e+00 9.7625e-01
|
||||
21 2.0319e-05 1.3224e-05 9.7964e-03 1.3002e-01 9.0328e+00 9.7612e-01
|
||||
22 2.0990e-05 1.3717e-05 9.7386e-03 1.2033e-01 9.0129e+00 9.7600e-01
|
||||
23 2.1692e-05 1.4233e-05 9.6831e-03 1.1133e-01 8.9930e+00 9.7589e-01
|
||||
24 2.2426e-05 1.4774e-05 9.6298e-03 1.0298e-01 8.9731e+00 9.7579e-01
|
||||
25 2.3196e-05 1.5340e-05 9.5785e-03 9.5234e-02 8.9532e+00 9.7569e-01
|
||||
26 2.4004e-05 1.5934e-05 9.5290e-03 8.8040e-02 8.9333e+00 9.7560e-01
|
||||
27 2.4851e-05 1.6557e-05 9.4812e-03 8.1361e-02 8.9133e+00 9.7552e-01
|
||||
28 2.5741e-05 1.7211e-05 9.4351e-03 7.5158e-02 8.8933e+00 9.7545e-01
|
||||
29 2.6676e-05 1.7899e-05 9.3904e-03 6.9398e-02 8.8732e+00 9.7538e-01
|
||||
30 2.7659e-05 1.8622e-05 9.3472e-03 6.4049e-02 8.8531e+00 9.7531e-01
|
||||
31 2.8694e-05 1.9383e-05 9.3052e-03 5.9082e-02 8.8329e+00 9.7526e-01
|
||||
32 2.9784e-05 2.0184e-05 9.2644e-03 5.4471e-02 8.8125e+00 9.7520e-01
|
||||
33 3.0932e-05 2.1028e-05 9.2247e-03 5.0190e-02 8.7921e+00 9.7515e-01
|
||||
34 3.2143e-05 2.1919e-05 9.1861e-03 4.6217e-02 8.7716e+00 9.7510e-01
|
||||
35 3.3421e-05 2.2859e-05 9.1483e-03 4.2531e-02 8.7509e+00 9.7506e-01
|
||||
36 3.4771e-05 2.3852e-05 9.1114e-03 3.9113e-02 8.7302e+00 9.7502e-01
|
||||
37 3.6198e-05 2.4901e-05 9.0752e-03 3.5944e-02 8.7092e+00 9.7499e-01
|
||||
38 3.7707e-05 2.6011e-05 9.0397e-03 3.3007e-02 8.6882e+00 9.7495e-01
|
||||
39 3.9305e-05 2.7186e-05 9.0048e-03 3.0287e-02 8.6669e+00 9.7492e-01
|
||||
40 4.0997e-05 2.8431e-05 8.9704e-03 2.7769e-02 8.6456e+00 9.7490e-01
|
||||
41 4.2792e-05 2.9750e-05 8.9365e-03 2.5438e-02 8.6240e+00 9.7487e-01
|
||||
42 4.4696e-05 3.1151e-05 8.9029e-03 2.3284e-02 8.6022e+00 9.7485e-01
|
||||
43 4.6718e-05 3.2638e-05 8.8695e-03 2.1293e-02 8.5803e+00 9.7483e-01
|
||||
44 4.8867e-05 3.4218e-05 8.8363e-03 1.9454e-02 8.5581e+00 9.7481e-01
|
||||
45 5.1153e-05 3.5899e-05 8.8032e-03 1.7757e-02 8.5358e+00 9.7479e-01
|
||||
46 5.3586e-05 3.7689e-05 8.7701e-03 1.6192e-02 8.5132e+00 9.7477e-01
|
||||
47 5.6179e-05 3.9596e-05 8.7369e-03 1.4751e-02 8.4904e+00 9.7476e-01
|
||||
48 5.8944e-05 4.1629e-05 8.7036e-03 1.3424e-02 8.4674e+00 9.7474e-01
|
||||
49 6.1895e-05 4.3799e-05 8.6699e-03 1.2204e-02 8.4441e+00 9.7473e-01
|
||||
50 6.5047e-05 4.6117e-05 8.6358e-03 1.1083e-02 8.4206e+00 9.7472e-01
|
||||
51 6.8417e-05 4.8596e-05 8.6012e-03 1.0053e-02 8.3968e+00 9.7471e-01
|
||||
52 7.2023e-05 5.1248e-05 8.5659e-03 9.1097e-03 8.3727e+00 9.7470e-01
|
||||
53 7.5886e-05 5.4089e-05 8.5299e-03 8.2453e-03 8.3484e+00 9.7469e-01
|
||||
54 8.0026e-05 5.7134e-05 8.4929e-03 7.4544e-03 8.3238e+00 9.7469e-01
|
||||
55 8.4468e-05 6.0401e-05 8.4549e-03 6.7317e-03 8.2990e+00 9.7468e-01
|
||||
56 8.9238e-05 6.3910e-05 8.4157e-03 6.0720e-03 8.2738e+00 9.7467e-01
|
||||
57 9.4365e-05 6.7680e-05 8.3751e-03 5.4707e-03 8.2483e+00 9.7467e-01
|
||||
58 9.9879e-05 7.1736e-05 8.3330e-03 4.9232e-03 8.2226e+00 9.7466e-01
|
||||
59 1.0582e-04 7.6103e-05 8.2891e-03 4.4254e-03 8.1966e+00 9.7466e-01
|
||||
60 1.1221e-04 8.0807e-05 8.2432e-03 3.9734e-03 8.1702e+00 9.7465e-01
|
||||
61 1.1911e-04 8.5880e-05 8.1952e-03 3.5636e-03 8.1436e+00 9.7465e-01
|
||||
62 1.2655e-04 9.1354e-05 8.1447e-03 3.1926e-03 8.1166e+00 9.7465e-01
|
||||
63 1.3458e-04 9.7264e-05 8.0916e-03 2.8572e-03 8.0894e+00 9.7464e-01
|
||||
64 1.4327e-04 1.0365e-04 8.0355e-03 2.5545e-03 8.0619e+00 9.7464e-01
|
||||
65 1.5265e-04 1.1055e-04 7.9762e-03 2.2816e-03 8.0341e+00 9.7464e-01
|
||||
66 1.6280e-04 1.1802e-04 7.9134e-03 2.0361e-03 8.0060e+00 9.7464e-01
|
||||
67 1.7351e-04 1.2641e-04 7.8456e-03 1.8143e-03 7.9775e+00 9.7464e-01
|
||||
68 1.8501e-04 1.3562e-04 7.7738e-03 1.6148e-03 7.9486e+00 9.7463e-01
|
||||
69 1.9746e-04 1.4562e-04 7.6977e-03 1.4363e-03 7.9195e+00 9.7463e-01
|
||||
70 2.1094e-04 1.5646e-04 7.6166e-03 1.2771e-03 7.8902e+00 9.7463e-01
|
||||
71 2.2551e-04 1.6820e-04 7.5303e-03 1.1352e-03 7.8608e+00 9.7463e-01
|
||||
72 2.4126e-04 1.8091e-04 7.4383e-03 1.0089e-03 7.8312e+00 9.7463e-01
|
||||
73 2.5829e-04 1.9468e-04 7.3401e-03 8.9686e-04 7.8015e+00 9.7463e-01
|
||||
74 2.7668e-04 2.0957e-04 7.2354e-03 7.9748e-04 7.7718e+00 9.7463e-01
|
||||
75 2.9651e-04 2.2567e-04 7.1237e-03 7.0948e-04 7.7420e+00 9.7463e-01
|
||||
76 3.1789e-04 2.4304e-04 7.0048e-03 6.3166e-04 7.7124e+00 9.7463e-01
|
||||
77 3.4090e-04 2.6177e-04 6.8783e-03 5.6294e-04 7.6828e+00 9.7463e-01
|
||||
78 3.6561e-04 2.8192e-04 6.7439e-03 5.0233e-04 7.6533e+00 9.7463e-01
|
||||
79 3.9211e-04 3.0355e-04 6.6014e-03 4.4893e-04 7.6241e+00 9.7463e-01
|
||||
80 4.2045e-04 3.2673e-04 6.4506e-03 4.0193e-04 7.5952e+00 9.7462e-01
|
||||
81 4.5069e-04 3.5148e-04 6.2915e-03 3.6061e-04 7.5666e+00 9.7462e-01
|
||||
82 4.8285e-04 3.7785e-04 6.1240e-03 3.2431e-04 7.5384e+00 9.7462e-01
|
||||
83 5.1694e-04 4.0583e-04 5.9484e-03 2.9244e-04 7.5107e+00 9.7462e-01
|
||||
84 5.5293e-04 4.3541e-04 5.7649e-03 2.6449e-04 7.4836e+00 9.7462e-01
|
||||
85 5.9079e-04 4.6655e-04 5.5739e-03 2.3997e-04 7.4572e+00 9.7462e-01
|
||||
86 6.3043e-04 4.9919e-04 5.3759e-03 2.1847e-04 7.4314e+00 9.7462e-01
|
||||
87 6.7173e-04 5.3322e-04 5.1717e-03 1.9963e-04 7.4064e+00 9.7462e-01
|
||||
88 7.1455e-04 5.6853e-04 4.9622e-03 1.8311e-04 7.3823e+00 9.7462e-01
|
||||
89 7.5870e-04 6.0496e-04 4.7482e-03 1.6863e-04 7.3591e+00 9.7462e-01
|
||||
90 8.0397e-04 6.4232e-04 4.5309e-03 1.5594e-04 7.3368e+00 9.7462e-01
|
||||
91 8.5012e-04 6.8043e-04 4.3114e-03 1.4480e-04 7.3155e+00 9.7462e-01
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||||
92 8.9689e-04 7.1904e-04 4.0911e-03 1.3503e-04 7.2952e+00 9.7462e-01
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||||
93 9.4399e-04 7.5794e-04 3.8711e-03 1.2646e-04 7.2760e+00 9.7462e-01
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||||
94 9.9113e-04 7.9686e-04 3.6529e-03 1.1892e-04 7.2578e+00 9.7462e-01
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||||
95 1.0380e-03 8.3556e-04 3.4375e-03 1.1230e-04 7.2406e+00 9.7462e-01
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||||
96 1.0844e-03 8.7380e-04 3.2263e-03 1.0647e-04 7.2245e+00 9.7462e-01
|
||||
97 1.1299e-03 9.1135e-04 3.0203e-03 1.0133e-04 7.2095e+00 9.7462e-01
|
||||
98 1.1744e-03 9.4800e-04 2.8206e-03 9.6809e-05 7.1954e+00 9.7462e-01
|
||||
99 1.2177e-03 9.8356e-04 2.6279e-03 9.2819e-05 7.1823e+00 9.7462e-01
|
||||
100 1.2594e-03 1.0179e-03 2.4431e-03 8.9295e-05 7.1702e+00 9.7462e-01
|
||||
101 1.2995e-03 1.0507e-03 2.2666e-03 8.6181e-05 7.1590e+00 9.7462e-01
|
||||
102 1.3378e-03 1.0821e-03 2.0990e-03 8.3427e-05 7.1487e+00 9.7462e-01
|
||||
103 1.3743e-03 1.1119e-03 1.9405e-03 8.0988e-05 7.1392e+00 9.7462e-01
|
||||
104 1.4088e-03 1.1400e-03 1.7912e-03 7.8827e-05 7.1304e+00 9.7462e-01
|
||||
105 1.4413e-03 1.1665e-03 1.6513e-03 7.6911e-05 7.1224e+00 9.7462e-01
|
||||
106 1.4718e-03 1.1913e-03 1.5205e-03 7.5210e-05 7.1151e+00 9.7462e-01
|
||||
107 1.5004e-03 1.2144e-03 1.3988e-03 7.3699e-05 7.1084e+00 9.7462e-01
|
||||
108 1.5271e-03 1.2358e-03 1.2858e-03 7.2355e-05 7.1024e+00 9.7462e-01
|
||||
109 1.5518e-03 1.2557e-03 1.1813e-03 7.1160e-05 7.0968e+00 9.7462e-01
|
||||
110 1.5748e-03 1.2740e-03 1.0850e-03 7.0097e-05 7.0918e+00 9.7462e-01
|
||||
111 1.5960e-03 1.2909e-03 9.9628e-04 6.9149e-05 7.0872e+00 9.7462e-01
|
||||
112 1.6156e-03 1.3063e-03 9.1488e-04 6.8305e-05 7.0831e+00 9.7462e-01
|
||||
113 1.6336e-03 1.3205e-03 8.4032e-04 6.7552e-05 7.0793e+00 9.7462e-01
|
||||
114 1.6501e-03 1.3334e-03 7.7217e-04 6.6881e-05 7.0759e+00 9.7462e-01
|
||||
115 1.6653e-03 1.3451e-03 7.0999e-04 6.6281e-05 7.0729e+00 9.7462e-01
|
||||
116 1.6792e-03 1.3558e-03 6.5334e-04 6.5746e-05 7.0701e+00 9.7462e-01
|
||||
117 1.6919e-03 1.3655e-03 6.0181e-04 6.5268e-05 7.0676e+00 9.7462e-01
|
||||
118 1.7035e-03 1.3742e-03 5.5501e-04 6.4841e-05 7.0653e+00 9.7462e-01
|
||||
119 1.7141e-03 1.3821e-03 5.1255e-04 6.4460e-05 7.0633e+00 9.7462e-01
|
||||
120 1.7237e-03 1.3892e-03 4.7408e-04 6.4119e-05 7.0615e+00 9.7462e-01
|
||||
121 1.7325e-03 1.3956e-03 4.3925e-04 6.3814e-05 7.0598e+00 9.7462e-01
|
||||
122 1.7405e-03 1.4013e-03 4.0774e-04 6.3541e-05 7.0584e+00 9.7462e-01
|
||||
123 1.7478e-03 1.4065e-03 3.7927e-04 6.3297e-05 7.0570e+00 9.7462e-01
|
||||
124 1.7545e-03 1.4111e-03 3.5357e-04 6.3079e-05 7.0558e+00 9.7462e-01
|
||||
125 1.7605e-03 1.4152e-03 3.3037e-04 6.2884e-05 7.0547e+00 9.7462e-01
|
||||
126 1.7660e-03 1.4188e-03 3.0945e-04 6.2709e-05 7.0538e+00 9.7462e-01
|
||||
127 1.7711e-03 1.4221e-03 2.9059e-04 6.2553e-05 7.0529e+00 9.7462e-01
|
||||
128 1.7756e-03 1.4249e-03 2.7360e-04 6.2414e-05 7.0521e+00 9.7462e-01
|
||||
129 1.7798e-03 1.4275e-03 2.5830e-04 6.2289e-05 7.0514e+00 9.7462e-01
|
||||
130 1.7836e-03 1.4297e-03 2.4453e-04 6.2177e-05 7.0508e+00 9.7462e-01
|
||||
131 1.7871e-03 1.4317e-03 2.3214e-04 6.2077e-05 7.0502e+00 9.7462e-01
|
||||
132 1.7903e-03 1.4334e-03 2.2099e-04 6.1988e-05 7.0497e+00 9.7462e-01
|
||||
133 1.7932e-03 1.4349e-03 2.1097e-04 6.1908e-05 7.0493e+00 9.7462e-01
|
||||
134 1.7958e-03 1.4362e-03 2.0195e-04 6.1836e-05 7.0489e+00 9.7462e-01
|
||||
135 1.7983e-03 1.4373e-03 1.9385e-04 6.1773e-05 7.0485e+00 9.7462e-01
|
||||
136 1.8005e-03 1.4383e-03 1.8658e-04 6.1716e-05 7.0482e+00 9.7462e-01
|
||||
137 1.8026e-03 1.4391e-03 1.8004e-04 6.1665e-05 7.0479e+00 9.7462e-01
|
||||
138 1.8045e-03 1.4398e-03 1.7416e-04 6.1619e-05 7.0476e+00 9.7462e-01
|
||||
139 1.8062e-03 1.4404e-03 1.6889e-04 6.1579e-05 7.0474e+00 9.7462e-01
|
||||
140 1.8079e-03 1.4409e-03 1.6415e-04 6.1542e-05 7.0472e+00 9.7462e-01
|
||||
141 1.8094e-03 1.4413e-03 1.5990e-04 6.1510e-05 7.0470e+00 9.7462e-01
|
||||
142 1.8108e-03 1.4416e-03 1.5608e-04 6.1482e-05 7.0469e+00 9.7462e-01
|
||||
143 1.8120e-03 1.4418e-03 1.5265e-04 6.1456e-05 7.0467e+00 9.7462e-01
|
||||
144 1.8133e-03 1.4419e-03 1.4957e-04 6.1433e-05 7.0466e+00 9.7462e-01
|
||||
145 1.8144e-03 1.4420e-03 1.4681e-04 6.1413e-05 7.0465e+00 9.7462e-01
|
||||
146 1.8155e-03 1.4421e-03 1.4433e-04 6.1395e-05 7.0464e+00 9.7462e-01
|
||||
147 1.8165e-03 1.4421e-03 1.4211e-04 6.1379e-05 7.0463e+00 9.7462e-01
|
||||
148 1.8174e-03 1.4420e-03 1.4011e-04 6.1365e-05 7.0462e+00 9.7462e-01
|
||||
149 1.8183e-03 1.4420e-03 1.3832e-04 6.1353e-05 7.0461e+00 9.7462e-01
|
||||
150 1.8191e-03 1.4418e-03 1.3671e-04 6.1342e-05 7.0461e+00 9.7462e-01
|
||||
151 1.8199e-03 1.4417e-03 1.3527e-04 6.1332e-05 7.0460e+00 9.7462e-01
|
||||
152 1.8207e-03 1.4415e-03 1.3398e-04 6.1324e-05 7.0459e+00 9.7462e-01
|
||||
153 1.8214e-03 1.4413e-03 1.3281e-04 6.1317e-05 7.0459e+00 9.7462e-01
|
||||
154 1.8221e-03 1.4411e-03 1.3177e-04 6.1310e-05 7.0459e+00 9.7462e-01
|
||||
155 1.8228e-03 1.4409e-03 1.3084e-04 6.1304e-05 7.0458e+00 9.7462e-01
|
||||
156 1.8234e-03 1.4406e-03 1.3000e-04 6.1300e-05 7.0458e+00 9.7462e-01
|
||||
157 1.8240e-03 1.4404e-03 1.2925e-04 6.1295e-05 7.0458e+00 9.7462e-01
|
||||
158 1.8246e-03 1.4401e-03 1.2857e-04 6.1292e-05 7.0458e+00 9.7462e-01
|
||||
159 1.8252e-03 1.4398e-03 1.2797e-04 6.1289e-05 7.0457e+00 9.7462e-01
|
||||
160 1.8257e-03 1.4395e-03 1.2743e-04 6.1286e-05 7.0457e+00 9.7462e-01
|
||||
161 1.8263e-03 1.4392e-03 1.2694e-04 6.1284e-05 7.0457e+00 9.7462e-01
|
||||
162 1.8268e-03 1.4389e-03 1.2650e-04 6.1283e-05 7.0457e+00 9.7462e-01
|
||||
163 1.8273e-03 1.4386e-03 1.2611e-04 6.1281e-05 7.0457e+00 9.7462e-01
|
||||
164 1.8278e-03 1.4382e-03 1.2576e-04 6.1280e-05 7.0457e+00 9.7462e-01
|
||||
165 1.8283e-03 1.4379e-03 1.2545e-04 6.1280e-05 7.0457e+00 9.7462e-01
|
||||
166 1.8287e-03 1.4376e-03 1.2516e-04 6.1279e-05 7.0457e+00 9.7462e-01
|
||||
167 1.8292e-03 1.4372e-03 1.2491e-04 6.1279e-05 7.0457e+00 9.7462e-01
|
||||
168 1.8297e-03 1.4369e-03 1.2468e-04 6.1279e-05 7.0457e+00 9.7462e-01
|
||||
169 1.8301e-03 1.4366e-03 1.2448e-04 6.1279e-05 7.0457e+00 9.7462e-01
|
||||
170 1.8305e-03 1.4362e-03 1.2429e-04 6.1279e-05 7.0457e+00 9.7462e-01
|
||||
171 1.8310e-03 1.4359e-03 1.2413e-04 6.1279e-05 7.0457e+00 9.7462e-01
|
||||
172 1.8314e-03 1.4355e-03 1.2398e-04 6.1280e-05 7.0457e+00 9.7462e-01
|
||||
173 1.8318e-03 1.4352e-03 1.2385e-04 6.1281e-05 7.0457e+00 9.7462e-01
|
||||
174 1.8322e-03 1.4349e-03 1.2373e-04 6.1281e-05 7.0457e+00 9.7462e-01
|
||||
175 1.8326e-03 1.4345e-03 1.2363e-04 6.1282e-05 7.0457e+00 9.7462e-01
|
||||
176 1.8330e-03 1.4342e-03 1.2353e-04 6.1283e-05 7.0457e+00 9.7462e-01
|
||||
177 1.8334e-03 1.4338e-03 1.2345e-04 6.1284e-05 7.0457e+00 9.7462e-01
|
||||
178 1.8338e-03 1.4335e-03 1.2337e-04 6.1285e-05 7.0457e+00 9.7462e-01
|
||||
179 1.8342e-03 1.4331e-03 1.2330e-04 6.1286e-05 7.0457e+00 9.7462e-01
|
||||
180 1.8346e-03 1.4328e-03 1.2324e-04 6.1287e-05 7.0457e+00 9.7462e-01
|
||||
181 1.8350e-03 1.4325e-03 1.2318e-04 6.1289e-05 7.0457e+00 9.7462e-01
|
||||
182 1.8353e-03 1.4321e-03 1.2313e-04 6.1290e-05 7.0457e+00 9.7462e-01
|
||||
183 1.8357e-03 1.4318e-03 1.2309e-04 6.1291e-05 7.0457e+00 9.7462e-01
|
||||
184 1.8361e-03 1.4315e-03 1.2305e-04 6.1292e-05 7.0457e+00 9.7462e-01
|
||||
185 1.8364e-03 1.4311e-03 1.2301e-04 6.1294e-05 7.0457e+00 9.7462e-01
|
||||
186 1.8368e-03 1.4308e-03 1.2298e-04 6.1295e-05 7.0457e+00 9.7462e-01
|
||||
187 1.8372e-03 1.4305e-03 1.2295e-04 6.1296e-05 7.0457e+00 9.7462e-01
|
||||
188 1.8375e-03 1.4302e-03 1.2293e-04 6.1298e-05 7.0458e+00 9.7462e-01
|
||||
189 1.8379e-03 1.4298e-03 1.2290e-04 6.1299e-05 7.0458e+00 9.7462e-01
|
||||
190 1.8382e-03 1.4295e-03 1.2288e-04 6.1300e-05 7.0458e+00 9.7462e-01
|
||||
191 1.8385e-03 1.4292e-03 1.2286e-04 6.1302e-05 7.0458e+00 9.7462e-01
|
||||
192 1.8389e-03 1.4289e-03 1.2285e-04 6.1303e-05 7.0458e+00 9.7462e-01
|
||||
193 1.8392e-03 1.4286e-03 1.2283e-04 6.1304e-05 7.0458e+00 9.7462e-01
|
||||
194 1.8396e-03 1.4282e-03 1.2282e-04 6.1306e-05 7.0458e+00 9.7462e-01
|
||||
195 1.8399e-03 1.4279e-03 1.2281e-04 6.1307e-05 7.0458e+00 9.7462e-01
|
||||
196 1.8402e-03 1.4276e-03 1.2279e-04 6.1309e-05 7.0458e+00 9.7462e-01
|
||||
197 1.8406e-03 1.4273e-03 1.2278e-04 6.1310e-05 7.0458e+00 9.7462e-01
|
||||
198 1.8409e-03 1.4270e-03 1.2278e-04 6.1312e-05 7.0458e+00 9.7462e-01
|
||||
199 1.8412e-03 1.4267e-03 1.2277e-04 6.1313e-05 7.0458e+00 9.7461e-01
|
||||
200 1.8415e-03 1.4264e-03 1.2276e-04 6.1314e-05 7.0458e+00 9.7461e-01
|
||||
1 4.6444e-01 1.6201e-01 5.4020e+00 2.5000e-02 5.8939e+00 0.0000e+00
|
||||
1 3.3676e-04 2.3935e-04 9.3550e-02 1.6433e-03 7.2372e+00 2.5627e+00
|
||||
2 2.8039e-05 1.8783e-05 2.3369e-02 1.9425e-01 8.6725e+00 2.5625e+00
|
||||
3 1.5115e-05 9.3795e-06 1.4702e-02 1.2330e+00 9.1654e+00 2.5613e+00
|
||||
4 1.3229e-05 8.0052e-06 1.2683e-02 2.0532e+00 9.3039e+00 2.5592e+00
|
||||
5 1.2836e-05 7.7201e-06 1.1896e-02 2.3755e+00 9.3433e+00 2.5569e+00
|
||||
6 1.2881e-05 7.7550e-06 1.1498e-02 2.4125e+00 9.3467e+00 2.5545e+00
|
||||
7 1.3102e-05 7.9187e-06 1.1255e-02 2.3234e+00 9.3354e+00 2.5521e+00
|
||||
8 1.3407e-05 8.1437e-06 1.1082e-02 2.1877e+00 9.3181e+00 2.5499e+00
|
||||
9 1.3758e-05 8.4020e-06 1.0943e-02 2.0402e+00 9.2983e+00 2.5479e+00
|
||||
10 1.4137e-05 8.6816e-06 1.0823e-02 1.8951e+00 9.2775e+00 2.5460e+00
|
||||
11 1.4538e-05 8.9771e-06 1.0714e-02 1.7576e+00 9.2565e+00 2.5443e+00
|
||||
12 1.4958e-05 9.2867e-06 1.0614e-02 1.6293e+00 9.2355e+00 2.5426e+00
|
||||
13 1.5397e-05 9.6098e-06 1.0519e-02 1.5102e+00 9.2145e+00 2.5411e+00
|
||||
14 1.5854e-05 9.9467e-06 1.0430e-02 1.3998e+00 9.1937e+00 2.5397e+00
|
||||
15 1.6330e-05 1.0298e-05 1.0345e-02 1.2976e+00 9.1731e+00 2.5384e+00
|
||||
16 1.6828e-05 1.0664e-05 1.0265e-02 1.2028e+00 9.1525e+00 2.5372e+00
|
||||
17 1.7347e-05 1.1047e-05 1.0188e-02 1.1149e+00 9.1321e+00 2.5361e+00
|
||||
18 1.7889e-05 1.1447e-05 1.0115e-02 1.0334e+00 9.1117e+00 2.5351e+00
|
||||
19 1.8456e-05 1.1865e-05 1.0046e-02 9.5762e-01 9.0913e+00 2.5341e+00
|
||||
20 1.9049e-05 1.2302e-05 9.9790e-03 8.8725e-01 9.0710e+00 2.5332e+00
|
||||
21 1.9671e-05 1.2760e-05 9.9151e-03 8.2184e-01 9.0507e+00 2.5324e+00
|
||||
22 2.0322e-05 1.3240e-05 9.8538e-03 7.6102e-01 9.0305e+00 2.5316e+00
|
||||
23 2.1005e-05 1.3743e-05 9.7950e-03 7.0445e-01 9.0102e+00 2.5309e+00
|
||||
24 2.1722e-05 1.4272e-05 9.7384e-03 6.5182e-01 8.9898e+00 2.5303e+00
|
||||
25 2.2476e-05 1.4827e-05 9.6840e-03 6.0285e-01 8.9695e+00 2.5297e+00
|
||||
26 2.3268e-05 1.5411e-05 9.6315e-03 5.5729e-01 8.9491e+00 2.5291e+00
|
||||
27 2.4101e-05 1.6025e-05 9.5809e-03 5.1489e-01 8.9286e+00 2.5286e+00
|
||||
28 2.4979e-05 1.6672e-05 9.5320e-03 4.7545e-01 8.9080e+00 2.5281e+00
|
||||
29 2.5904e-05 1.7354e-05 9.4847e-03 4.3876e-01 8.8873e+00 2.5277e+00
|
||||
30 2.6879e-05 1.8073e-05 9.4389e-03 4.0464e-01 8.8666e+00 2.5273e+00
|
||||
31 2.7909e-05 1.8832e-05 9.3945e-03 3.7291e-01 8.8457e+00 2.5269e+00
|
||||
32 2.8997e-05 1.9634e-05 9.3514e-03 3.4342e-01 8.8246e+00 2.5266e+00
|
||||
33 3.0147e-05 2.0482e-05 9.3094e-03 3.1601e-01 8.8035e+00 2.5263e+00
|
||||
34 3.1364e-05 2.1379e-05 9.2686e-03 2.9056e-01 8.7822e+00 2.5260e+00
|
||||
35 3.2652e-05 2.2328e-05 9.2287e-03 2.6694e-01 8.7607e+00 2.5257e+00
|
||||
36 3.4018e-05 2.3335e-05 9.1898e-03 2.4502e-01 8.7391e+00 2.5255e+00
|
||||
37 3.5467e-05 2.4403e-05 9.1516e-03 2.2469e-01 8.7173e+00 2.5252e+00
|
||||
38 3.7006e-05 2.5537e-05 9.1142e-03 2.0585e-01 8.6953e+00 2.5250e+00
|
||||
39 3.8640e-05 2.6742e-05 9.0775e-03 1.8840e-01 8.6731e+00 2.5248e+00
|
||||
40 4.0379e-05 2.8024e-05 9.0413e-03 1.7226e-01 8.6506e+00 2.5247e+00
|
||||
41 4.2231e-05 2.9389e-05 9.0055e-03 1.5733e-01 8.6280e+00 2.5245e+00
|
||||
42 4.4203e-05 3.0843e-05 8.9701e-03 1.4354e-01 8.6051e+00 2.5244e+00
|
||||
43 4.6308e-05 3.2394e-05 8.9350e-03 1.3080e-01 8.5820e+00 2.5242e+00
|
||||
44 4.8554e-05 3.4050e-05 8.9000e-03 1.1906e-01 8.5586e+00 2.5241e+00
|
||||
45 5.0955e-05 3.5820e-05 8.8651e-03 1.0824e-01 8.5350e+00 2.5240e+00
|
||||
46 5.3524e-05 3.7714e-05 8.8302e-03 9.8282e-02 8.5111e+00 2.5239e+00
|
||||
47 5.6274e-05 3.9741e-05 8.7951e-03 8.9125e-02 8.4869e+00 2.5238e+00
|
||||
48 5.9223e-05 4.1915e-05 8.7597e-03 8.0716e-02 8.4624e+00 2.5237e+00
|
||||
49 6.2387e-05 4.4247e-05 8.7240e-03 7.3003e-02 8.4376e+00 2.5237e+00
|
||||
50 6.5785e-05 4.6753e-05 8.6877e-03 6.5936e-02 8.4125e+00 2.5236e+00
|
||||
51 6.9440e-05 4.9447e-05 8.6508e-03 5.9471e-02 8.3871e+00 2.5235e+00
|
||||
52 7.3373e-05 5.2347e-05 8.6130e-03 5.3563e-02 8.3613e+00 2.5235e+00
|
||||
53 7.7612e-05 5.5471e-05 8.5743e-03 4.8173e-02 8.3352e+00 2.5234e+00
|
||||
54 8.2185e-05 5.8843e-05 8.5344e-03 4.3261e-02 8.3088e+00 2.5234e+00
|
||||
55 8.7123e-05 6.2483e-05 8.4931e-03 3.8793e-02 8.2820e+00 2.5234e+00
|
||||
56 9.2461e-05 6.6418e-05 8.4504e-03 3.4735e-02 8.2548e+00 2.5233e+00
|
||||
57 9.8237e-05 7.0677e-05 8.4058e-03 3.1055e-02 8.2273e+00 2.5233e+00
|
||||
58 1.0449e-04 7.5290e-05 8.3593e-03 2.7724e-02 8.1994e+00 2.5233e+00
|
||||
59 1.1128e-04 8.0292e-05 8.3104e-03 2.4714e-02 8.1711e+00 2.5232e+00
|
||||
60 1.1864e-04 8.5721e-05 8.2591e-03 2.1998e-02 8.1425e+00 2.5232e+00
|
||||
61 1.2664e-04 9.1619e-05 8.2049e-03 1.9553e-02 8.1134e+00 2.5232e+00
|
||||
62 1.3534e-04 9.8032e-05 8.1475e-03 1.7355e-02 8.0840e+00 2.5232e+00
|
||||
63 1.4481e-04 1.0501e-04 8.0866e-03 1.5384e-02 8.0543e+00 2.5232e+00
|
||||
64 1.5511e-04 1.1261e-04 8.0218e-03 1.3620e-02 8.0242e+00 2.5231e+00
|
||||
65 1.6634e-04 1.2089e-04 7.9527e-03 1.2044e-02 7.9937e+00 2.5231e+00
|
||||
66 1.7859e-04 1.2992e-04 7.8789e-03 1.0639e-02 7.9629e+00 2.5231e+00
|
||||
67 1.9194e-04 1.3976e-04 7.7999e-03 9.3888e-03 7.9318e+00 2.5231e+00
|
||||
68 2.0650e-04 1.5050e-04 7.7152e-03 8.2791e-03 7.9005e+00 2.5231e+00
|
||||
69 2.2238e-04 1.6221e-04 7.6243e-03 7.2959e-03 7.8689e+00 2.5231e+00
|
||||
70 2.3970e-04 1.7498e-04 7.5268e-03 6.4267e-03 7.8370e+00 2.5231e+00
|
||||
71 2.5859e-04 1.8890e-04 7.4220e-03 5.6599e-03 7.8050e+00 2.5231e+00
|
||||
72 2.7916e-04 2.0407e-04 7.3094e-03 4.9849e-03 7.7729e+00 2.5231e+00
|
||||
73 3.0155e-04 2.2058e-04 7.1886e-03 4.3917e-03 7.7407e+00 2.5231e+00
|
||||
74 3.2588e-04 2.3852e-04 7.0590e-03 3.8716e-03 7.7085e+00 2.5231e+00
|
||||
75 3.5229e-04 2.5799e-04 6.9202e-03 3.4163e-03 7.6764e+00 2.5231e+00
|
||||
76 3.8088e-04 2.7908e-04 6.7718e-03 3.0184e-03 7.6444e+00 2.5231e+00
|
||||
77 4.1177e-04 3.0186e-04 6.6135e-03 2.6714e-03 7.6127e+00 2.5231e+00
|
||||
78 4.4505e-04 3.2640e-04 6.4451e-03 2.3691e-03 7.5813e+00 2.5231e+00
|
||||
79 4.8077e-04 3.5274e-04 6.2664e-03 2.1062e-03 7.5503e+00 2.5231e+00
|
||||
80 5.1897e-04 3.8091e-04 6.0777e-03 1.8777e-03 7.5198e+00 2.5231e+00
|
||||
81 5.5965e-04 4.1090e-04 5.8791e-03 1.6795e-03 7.4900e+00 2.5231e+00
|
||||
82 6.0276e-04 4.4269e-04 5.6711e-03 1.5075e-03 7.4608e+00 2.5231e+00
|
||||
83 6.4821e-04 4.7620e-04 5.4543e-03 1.3585e-03 7.4325e+00 2.5231e+00
|
||||
84 6.9582e-04 5.1136e-04 5.2297e-03 1.2294e-03 7.4050e+00 2.5231e+00
|
||||
85 7.4454e-04 5.4887e-04 4.9977e-03 1.1172e-03 7.3785e+00 2.5231e+00
|
||||
86 7.9496e-04 5.8774e-04 4.7604e-03 1.0200e-03 7.3530e+00 2.5230e+00
|
||||
87 8.4674e-04 6.2771e-04 4.5193e-03 9.3594e-04 7.3286e+00 2.5230e+00
|
||||
88 8.9954e-04 6.6852e-04 4.2758e-03 8.6312e-04 7.3055e+00 2.5230e+00
|
||||
89 9.5299e-04 7.0987e-04 4.0316e-03 8.0003e-04 7.2836e+00 2.5230e+00
|
||||
90 1.0067e-03 7.5146e-04 3.7886e-03 7.4534e-04 7.2629e+00 2.5230e+00
|
||||
91 1.0602e-03 7.9296e-04 3.5483e-03 6.9789e-04 7.2435e+00 2.5230e+00
|
||||
92 1.1132e-03 8.3407e-04 3.3125e-03 6.5669e-04 7.2254e+00 2.5230e+00
|
||||
93 1.1653e-03 8.7447e-04 3.0826e-03 6.2087e-04 7.2086e+00 2.5230e+00
|
||||
94 1.2160e-03 9.1389e-04 2.8600e-03 5.8970e-04 7.1929e+00 2.5230e+00
|
||||
95 1.2652e-03 9.5207e-04 2.6460e-03 5.6255e-04 7.1785e+00 2.5230e+00
|
||||
96 1.3125e-03 9.8881e-04 2.4415e-03 5.3887e-04 7.1652e+00 2.5230e+00
|
||||
97 1.3576e-03 1.0239e-03 2.2473e-03 5.1819e-04 7.1530e+00 2.5230e+00
|
||||
98 1.4005e-03 1.0572e-03 2.0639e-03 5.0012e-04 7.1419e+00 2.5230e+00
|
||||
99 1.4410e-03 1.0887e-03 1.8917e-03 4.8431e-04 7.1317e+00 2.5230e+00
|
||||
100 1.4791e-03 1.1182e-03 1.7307e-03 4.7046e-04 7.1225e+00 2.5230e+00
|
||||
101 1.5146e-03 1.1458e-03 1.5811e-03 4.5832e-04 7.1141e+00 2.5230e+00
|
||||
102 1.5476e-03 1.1714e-03 1.4426e-03 4.4766e-04 7.1065e+00 2.5230e+00
|
||||
103 1.5781e-03 1.1951e-03 1.3150e-03 4.3830e-04 7.0996e+00 2.5230e+00
|
||||
104 1.6063e-03 1.2169e-03 1.1977e-03 4.3007e-04 7.0934e+00 2.5230e+00
|
||||
105 1.6322e-03 1.2369e-03 1.0904e-03 4.2283e-04 7.0879e+00 2.5230e+00
|
||||
106 1.6559e-03 1.2551e-03 9.9248e-04 4.1646e-04 7.0828e+00 2.5230e+00
|
||||
107 1.6775e-03 1.2718e-03 9.0340e-04 4.1084e-04 7.0784e+00 2.5230e+00
|
||||
108 1.6971e-03 1.2869e-03 8.2258e-04 4.0589e-04 7.0743e+00 2.5230e+00
|
||||
109 1.7150e-03 1.3006e-03 7.4942e-04 4.0152e-04 7.0707e+00 2.5230e+00
|
||||
110 1.7312e-03 1.3130e-03 6.8335e-04 3.9766e-04 7.0675e+00 2.5230e+00
|
||||
111 1.7458e-03 1.3242e-03 6.2377e-04 3.9425e-04 7.0646e+00 2.5230e+00
|
||||
112 1.7590e-03 1.3342e-03 5.7017e-04 3.9125e-04 7.0620e+00 2.5230e+00
|
||||
113 1.7709e-03 1.3432e-03 5.2200e-04 3.8859e-04 7.0597e+00 2.5230e+00
|
||||
114 1.7816e-03 1.3513e-03 4.7878e-04 3.8624e-04 7.0577e+00 2.5230e+00
|
||||
115 1.7912e-03 1.3585e-03 4.4004e-04 3.8416e-04 7.0559e+00 2.5230e+00
|
||||
116 1.7998e-03 1.3650e-03 4.0538e-04 3.8232e-04 7.0542e+00 2.5230e+00
|
||||
117 1.8076e-03 1.3708e-03 3.7437e-04 3.8070e-04 7.0528e+00 2.5230e+00
|
||||
118 1.8145e-03 1.3759e-03 3.4668e-04 3.7926e-04 7.0515e+00 2.5230e+00
|
||||
119 1.8208e-03 1.3805e-03 3.2195e-04 3.7799e-04 7.0504e+00 2.5230e+00
|
||||
120 1.8263e-03 1.3845e-03 2.9990e-04 3.7686e-04 7.0494e+00 2.5230e+00
|
||||
121 1.8313e-03 1.3881e-03 2.8023e-04 3.7586e-04 7.0484e+00 2.5230e+00
|
||||
122 1.8358e-03 1.3913e-03 2.6271e-04 3.7498e-04 7.0476e+00 2.5230e+00
|
||||
123 1.8398e-03 1.3941e-03 2.4711e-04 3.7420e-04 7.0469e+00 2.5230e+00
|
||||
124 1.8434e-03 1.3966e-03 2.3323e-04 3.7351e-04 7.0463e+00 2.5230e+00
|
||||
125 1.8466e-03 1.3988e-03 2.2087e-04 3.7289e-04 7.0457e+00 2.5230e+00
|
||||
126 1.8494e-03 1.4008e-03 2.0988e-04 3.7235e-04 7.0452e+00 2.5230e+00
|
||||
127 1.8520e-03 1.4025e-03 2.0011e-04 3.7187e-04 7.0448e+00 2.5230e+00
|
||||
128 1.8543e-03 1.4040e-03 1.9143e-04 3.7144e-04 7.0444e+00 2.5230e+00
|
||||
129 1.8564e-03 1.4053e-03 1.8371e-04 3.7107e-04 7.0441e+00 2.5230e+00
|
||||
130 1.8582e-03 1.4065e-03 1.7685e-04 3.7074e-04 7.0438e+00 2.5230e+00
|
||||
131 1.8599e-03 1.4075e-03 1.7076e-04 3.7044e-04 7.0435e+00 2.5230e+00
|
||||
132 1.8614e-03 1.4084e-03 1.6535e-04 3.7018e-04 7.0432e+00 2.5230e+00
|
||||
133 1.8627e-03 1.4091e-03 1.6055e-04 3.6995e-04 7.0430e+00 2.5230e+00
|
||||
134 1.8640e-03 1.4098e-03 1.5628e-04 3.6975e-04 7.0428e+00 2.5230e+00
|
||||
135 1.8651e-03 1.4103e-03 1.5250e-04 3.6956e-04 7.0427e+00 2.5230e+00
|
||||
136 1.8660e-03 1.4108e-03 1.4913e-04 3.6941e-04 7.0425e+00 2.5230e+00
|
||||
137 1.8669e-03 1.4113e-03 1.4615e-04 3.6926e-04 7.0424e+00 2.5230e+00
|
||||
138 1.8678e-03 1.4116e-03 1.4350e-04 3.6914e-04 7.0423e+00 2.5230e+00
|
||||
139 1.8685e-03 1.4119e-03 1.4115e-04 3.6903e-04 7.0422e+00 2.5230e+00
|
||||
140 1.8692e-03 1.4122e-03 1.3907e-04 3.6893e-04 7.0421e+00 2.5230e+00
|
||||
141 1.8698e-03 1.4124e-03 1.3722e-04 3.6885e-04 7.0420e+00 2.5230e+00
|
||||
142 1.8703e-03 1.4125e-03 1.3558e-04 3.6877e-04 7.0419e+00 2.5230e+00
|
||||
143 1.8709e-03 1.4127e-03 1.3412e-04 3.6871e-04 7.0419e+00 2.5230e+00
|
||||
144 1.8713e-03 1.4128e-03 1.3283e-04 3.6865e-04 7.0418e+00 2.5230e+00
|
||||
145 1.8718e-03 1.4128e-03 1.3168e-04 3.6860e-04 7.0418e+00 2.5230e+00
|
||||
146 1.8722e-03 1.4129e-03 1.3067e-04 3.6855e-04 7.0417e+00 2.5230e+00
|
||||
147 1.8725e-03 1.4129e-03 1.2976e-04 3.6851e-04 7.0417e+00 2.5230e+00
|
||||
148 1.8729e-03 1.4129e-03 1.2896e-04 3.6848e-04 7.0417e+00 2.5230e+00
|
||||
149 1.8732e-03 1.4129e-03 1.2825e-04 3.6845e-04 7.0416e+00 2.5230e+00
|
||||
150 1.8735e-03 1.4129e-03 1.2762e-04 3.6842e-04 7.0416e+00 2.5230e+00
|
||||
151 1.8738e-03 1.4129e-03 1.2707e-04 3.6840e-04 7.0416e+00 2.5230e+00
|
||||
152 1.8741e-03 1.4128e-03 1.2657e-04 3.6838e-04 7.0416e+00 2.5230e+00
|
||||
153 1.8743e-03 1.4128e-03 1.2613e-04 3.6836e-04 7.0415e+00 2.5230e+00
|
||||
154 1.8746e-03 1.4127e-03 1.2574e-04 3.6835e-04 7.0415e+00 2.5230e+00
|
||||
155 1.8748e-03 1.4126e-03 1.2540e-04 3.6834e-04 7.0415e+00 2.5230e+00
|
||||
156 1.8750e-03 1.4125e-03 1.2509e-04 3.6833e-04 7.0415e+00 2.5230e+00
|
||||
157 1.8752e-03 1.4125e-03 1.2482e-04 3.6832e-04 7.0415e+00 2.5230e+00
|
||||
158 1.8754e-03 1.4124e-03 1.2458e-04 3.6831e-04 7.0415e+00 2.5230e+00
|
||||
159 1.8756e-03 1.4123e-03 1.2436e-04 3.6830e-04 7.0415e+00 2.5230e+00
|
||||
160 1.8758e-03 1.4122e-03 1.2417e-04 3.6830e-04 7.0415e+00 2.5230e+00
|
||||
161 1.8760e-03 1.4121e-03 1.2400e-04 3.6829e-04 7.0415e+00 2.5230e+00
|
||||
162 1.8762e-03 1.4120e-03 1.2385e-04 3.6829e-04 7.0415e+00 2.5230e+00
|
||||
163 1.8763e-03 1.4119e-03 1.2372e-04 3.6829e-04 7.0415e+00 2.5230e+00
|
||||
164 1.8765e-03 1.4118e-03 1.2360e-04 3.6829e-04 7.0415e+00 2.5230e+00
|
||||
165 1.8767e-03 1.4117e-03 1.2350e-04 3.6829e-04 7.0415e+00 2.5230e+00
|
||||
166 1.8768e-03 1.4116e-03 1.2341e-04 3.6829e-04 7.0415e+00 2.5230e+00
|
||||
167 1.8770e-03 1.4114e-03 1.2333e-04 3.6829e-04 7.0415e+00 2.5230e+00
|
||||
168 1.8771e-03 1.4113e-03 1.2325e-04 3.6829e-04 7.0415e+00 2.5230e+00
|
||||
169 1.8773e-03 1.4112e-03 1.2319e-04 3.6829e-04 7.0415e+00 2.5230e+00
|
||||
170 1.8774e-03 1.4111e-03 1.2313e-04 3.6829e-04 7.0415e+00 2.5230e+00
|
||||
171 1.8775e-03 1.4110e-03 1.2308e-04 3.6829e-04 7.0415e+00 2.5230e+00
|
||||
172 1.8777e-03 1.4109e-03 1.2304e-04 3.6829e-04 7.0415e+00 2.5230e+00
|
||||
173 1.8778e-03 1.4108e-03 1.2300e-04 3.6829e-04 7.0415e+00 2.5230e+00
|
||||
174 1.8780e-03 1.4107e-03 1.2296e-04 3.6830e-04 7.0415e+00 2.5230e+00
|
||||
175 1.8781e-03 1.4106e-03 1.2293e-04 3.6830e-04 7.0415e+00 2.5230e+00
|
||||
176 1.8782e-03 1.4104e-03 1.2290e-04 3.6830e-04 7.0415e+00 2.5230e+00
|
||||
177 1.8783e-03 1.4103e-03 1.2288e-04 3.6830e-04 7.0415e+00 2.5230e+00
|
||||
178 1.8785e-03 1.4102e-03 1.2285e-04 3.6831e-04 7.0415e+00 2.5230e+00
|
||||
179 1.8786e-03 1.4101e-03 1.2284e-04 3.6831e-04 7.0415e+00 2.5230e+00
|
||||
180 1.8787e-03 1.4100e-03 1.2282e-04 3.6831e-04 7.0415e+00 2.5230e+00
|
||||
181 1.8788e-03 1.4099e-03 1.2280e-04 3.6831e-04 7.0415e+00 2.5230e+00
|
||||
182 1.8790e-03 1.4098e-03 1.2279e-04 3.6832e-04 7.0415e+00 2.5230e+00
|
||||
183 1.8791e-03 1.4097e-03 1.2278e-04 3.6832e-04 7.0415e+00 2.5230e+00
|
||||
184 1.8792e-03 1.4096e-03 1.2277e-04 3.6832e-04 7.0415e+00 2.5230e+00
|
||||
185 1.8793e-03 1.4094e-03 1.2276e-04 3.6833e-04 7.0415e+00 2.5230e+00
|
||||
186 1.8794e-03 1.4093e-03 1.2275e-04 3.6833e-04 7.0415e+00 2.5230e+00
|
||||
187 1.8796e-03 1.4092e-03 1.2274e-04 3.6833e-04 7.0415e+00 2.5230e+00
|
||||
188 1.8797e-03 1.4091e-03 1.2273e-04 3.6833e-04 7.0415e+00 2.5230e+00
|
||||
189 1.8798e-03 1.4090e-03 1.2273e-04 3.6834e-04 7.0415e+00 2.5230e+00
|
||||
190 1.8799e-03 1.4089e-03 1.2272e-04 3.6834e-04 7.0415e+00 2.5230e+00
|
||||
191 1.8800e-03 1.4088e-03 1.2272e-04 3.6834e-04 7.0415e+00 2.5230e+00
|
||||
192 1.8801e-03 1.4087e-03 1.2271e-04 3.6835e-04 7.0415e+00 2.5230e+00
|
||||
193 1.8802e-03 1.4086e-03 1.2271e-04 3.6835e-04 7.0415e+00 2.5230e+00
|
||||
194 1.8803e-03 1.4085e-03 1.2271e-04 3.6835e-04 7.0415e+00 2.5230e+00
|
||||
195 1.8804e-03 1.4084e-03 1.2270e-04 3.6836e-04 7.0415e+00 2.5230e+00
|
||||
196 1.8806e-03 1.4083e-03 1.2270e-04 3.6836e-04 7.0415e+00 2.5230e+00
|
||||
197 1.8807e-03 1.4082e-03 1.2270e-04 3.6836e-04 7.0415e+00 2.5230e+00
|
||||
198 1.8808e-03 1.4081e-03 1.2270e-04 3.6837e-04 7.0415e+00 2.5230e+00
|
||||
199 1.8809e-03 1.4080e-03 1.2270e-04 3.6837e-04 7.0415e+00 2.5230e+00
|
||||
200 1.8810e-03 1.4079e-03 1.2269e-04 3.6837e-04 7.0415e+00 2.5230e+00
|
||||
|
||||
5
ex15.out
5
ex15.out
@ -17,10 +17,11 @@ Reading input data for simulation 1.
|
||||
DATABASE ex15.dat
|
||||
TITLE Example 15.--1D Transport: Kinetic Biodegradation, Cell Growth, and Sorption
|
||||
***********
|
||||
NOTE: This problem requires database file ex15.dat
|
||||
PLEASE NOTE: This problem requires database file ex15.dat!!
|
||||
***********
|
||||
PRINT
|
||||
reset false
|
||||
status false
|
||||
SOLUTION 0 Pulse solution with NTA and cobalt
|
||||
units umol/L
|
||||
pH 6
|
||||
@ -214,6 +215,6 @@ WARNING: USER_PUNCH: Headings count doesn't match number of calls to PUNCH.
|
||||
shifts 110
|
||||
END
|
||||
-------------------------------
|
||||
End of Run after 21.39 Seconds.
|
||||
End of Run after 15.02 Seconds.
|
||||
-------------------------------
|
||||
|
||||
|
||||
14
ex15.sel
14
ex15.sel
@ -4,9 +4,9 @@
|
||||
1 transp 10 9.5 7200 2 6 14.3937 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 2.5000e+00 0.0000e+00 0.0000e+00 1.3544e-04
|
||||
1 transp 10 9.5 10800 3 6 14.3937 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 3.5000e+00 0.0000e+00 0.0000e+00 1.3515e-04
|
||||
1 transp 10 9.5 14400 4 6 14.3937 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 4.5000e+00 0.0000e+00 0.0000e+00 1.3487e-04
|
||||
1 transp 10 9.5 18000 5 6 14.3937 4.1636e-17 4.8355e-19 8.3075e-13 2.3172e-14 5.5000e+00 6.1781e-18 1.4377e-22 1.3459e-04
|
||||
1 transp 10 9.5 21600 6 6.00019 14.3935 5.3586e-15 7.6671e-15 1.0687e-10 2.8548e-12 6.5000e+00 1.0994e-15 2.6066e-18 1.3431e-04
|
||||
1 transp 10 9.5 25200 7 6.00441 14.3893 1.1039e-13 3.4338e-12 2.1803e-09 6.2065e-11 7.5000e+00 2.2731e-14 9.7753e-16 1.3406e-04
|
||||
1 transp 10 9.5 18000 5 6 14.3937 4.1637e-17 4.8356e-19 8.3076e-13 2.3172e-14 5.5000e+00 6.1781e-18 1.4377e-22 1.3459e-04
|
||||
1 transp 10 9.5 21600 6 6.00019 14.3935 5.3587e-15 7.6672e-15 1.0687e-10 2.8548e-12 6.5000e+00 1.0994e-15 2.6066e-18 1.3431e-04
|
||||
1 transp 10 9.5 25200 7 6.00441 14.3893 1.1039e-13 3.4338e-12 2.1803e-09 6.2065e-11 7.5000e+00 2.2731e-14 9.7754e-16 1.3406e-04
|
||||
1 transp 10 9.5 28800 8 6.03587 14.3576 8.7248e-13 1.8088e-10 1.6028e-08 4.1366e-10 8.5000e+00 1.5703e-13 4.8045e-14 1.3399e-04
|
||||
1 transp 10 9.5 32400 9 6.12883 14.264 3.7779e-12 1.9561e-09 5.6030e-08 1.0331e-09 9.5000e+00 4.8525e-13 5.5433e-13 1.3445e-04
|
||||
1 transp 10 9.5 36000 10 6.2369 14.1549 9.6448e-12 8.0004e-09 1.1153e-07 1.6551e-09 1.0500e+01 9.8421e-13 2.4608e-12 1.3556e-04
|
||||
@ -82,13 +82,13 @@
|
||||
3 transp 20 9.75 10800 6 6 14.3937 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 3.2500e+00 0.0000e+00 0.0000e+00 1.3515e-04
|
||||
3 transp 20 9.75 14400 8 6 14.3937 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 4.2500e+00 0.0000e+00 0.0000e+00 1.3487e-04
|
||||
3 transp 20 9.75 18000 10 6 14.3937 1.5238e-20 5.3049e-26 3.0403e-16 6.9464e-18 5.2500e+00 6.1742e-22 4.9718e-30 1.3459e-04
|
||||
3 transp 20 9.75 21600 12 6.00001 14.3937 1.5975e-16 4.1405e-18 3.1874e-12 5.1715e-14 6.2500e+00 6.9697e-18 4.6156e-22 1.3431e-04
|
||||
3 transp 20 9.75 21600 12 6.00001 14.3937 1.5975e-16 4.1406e-18 3.1874e-12 5.1715e-14 6.2500e+00 6.9697e-18 4.6156e-22 1.3431e-04
|
||||
3 transp 20 9.75 25200 14 6.00099 14.3927 2.2502e-14 7.4018e-14 4.4795e-10 6.5633e-12 7.2500e+00 1.1424e-15 1.0363e-17 1.3404e-04
|
||||
3 transp 20 9.75 28800 16 6.0195 14.3741 4.3142e-13 2.8750e-11 8.2301e-09 1.3296e-10 8.2500e+00 2.6874e-14 4.0925e-15 1.3383e-04
|
||||
3 transp 20 9.75 32400 18 6.0982 14.2948 2.5897e-12 6.9410e-10 4.1215e-08 5.3477e-10 9.2500e+00 1.5046e-13 1.1367e-13 1.3395e-04
|
||||
3 transp 20 9.75 36000 20 6.20728 14.1848 7.5082e-12 3.8106e-09 9.2952e-08 1.0126e-09 1.0250e+01 4.0151e-13 7.6561e-13 1.3465e-04
|
||||
3 transp 20 9.75 39600 22 6.28545 14.1059 1.3116e-11 1.1318e-08 1.3563e-07 1.7217e-09 1.1250e+01 8.1923e-13 2.6789e-12 1.3586e-04
|
||||
3 transp 20 9.75 43200 24 6.33761 14.0534 1.7886e-11 2.5308e-08 1.6402e-07 2.8233e-09 1.2250e+01 1.4963e-12 6.7447e-12 1.3740e-04
|
||||
3 transp 20 9.75 43200 24 6.33761 14.0534 1.7886e-11 2.5308e-08 1.6402e-07 2.8233e-09 1.2250e+01 1.4964e-12 6.7447e-12 1.3740e-04
|
||||
3 transp 20 9.75 46800 26 6.37759 14.0132 2.2122e-11 4.8085e-08 1.8503e-07 4.3370e-09 1.3250e+01 2.5327e-12 1.4004e-11 1.3918e-04
|
||||
3 transp 20 9.75 50400 28 6.41058 13.98 2.6101e-11 8.1880e-08 2.0233e-07 6.2593e-09 1.4250e+01 4.0203e-12 2.5577e-11 1.4114e-04
|
||||
3 transp 20 9.75 54000 30 6.43869 13.9517 2.9881e-11 1.2863e-07 2.1712e-07 8.5892e-09 1.5250e+01 6.0449e-12 4.2563e-11 1.4326e-04
|
||||
@ -98,7 +98,7 @@
|
||||
3 transp 20 9.75 68400 38 6.52082 13.8691 4.2945e-11 4.6679e-07 2.5828e-07 2.1688e-08 1.9250e+01 2.0945e-11 1.8130e-10 1.5310e-04
|
||||
3 transp 20 9.75 72000 40 6.53617 13.8536 4.5647e-11 5.8950e-07 2.6500e-07 2.5768e-08 2.0250e+01 2.6637e-11 2.3572e-10 1.5584e-04
|
||||
4 transp 20 9.75 72000 0 6.53617 13.8536 4.5647e-11 5.8950e-07 2.6500e-07 2.5768e-08 2.0250e+01 0.0000e+00 0.0000e+00 0.0000e+00
|
||||
4 transp 20 9.75 75600 2 6.54997 13.8397 4.8105e-11 7.2569e-07 2.7053e-07 3.0100e-08 2.1250e+01 3.3180e-11 2.9788e-10 1.5869e-04
|
||||
4 transp 20 9.75 75600 2 6.54997 13.8397 4.8105e-11 7.2569e-07 2.7053e-07 3.0100e-08 2.1250e+01 3.3181e-11 2.9788e-10 1.5869e-04
|
||||
4 transp 20 9.75 79200 4 6.5624 13.8272 5.0312e-11 8.7369e-07 2.7496e-07 3.4649e-08 2.2250e+01 4.0590e-11 3.6721e-10 1.6162e-04
|
||||
4 transp 20 9.75 82800 6 6.57359 13.8159 5.2265e-11 1.0315e-06 2.7837e-07 3.9378e-08 2.3250e+01 4.8869e-11 4.4295e-10 1.6463e-04
|
||||
4 transp 20 9.75 86400 8 6.58366 13.8058 5.3964e-11 1.1969e-06 2.8083e-07 4.4255e-08 2.4250e+01 5.8011e-11 5.2415e-10 1.6773e-04
|
||||
@ -138,7 +138,7 @@
|
||||
4 transp 20 9.75 208800 76 6.10107 14.2923 4.5247e-12 3.8709e-07 7.1536e-08 1.7070e-07 5.8250e+01 6.4410e-10 2.7315e-10 2.6534e-04
|
||||
4 transp 20 9.75 212400 78 6.08637 14.307 3.8454e-12 3.2523e-07 6.2889e-08 1.6875e-07 5.9250e+01 6.5521e-10 2.3247e-10 2.6630e-04
|
||||
4 transp 20 9.75 216000 80 6.07332 14.3201 3.2542e-12 2.7189e-07 5.4844e-08 1.6671e-07 6.0250e+01 6.6519e-10 1.9677e-10 2.6709e-04
|
||||
4 transp 20 9.75 219600 82 6.06184 14.3316 2.7422e-12 2.2626e-07 4.7453e-08 1.6463e-07 6.1250e+01 6.7412e-10 1.6570e-10 2.6770e-04
|
||||
4 transp 20 9.75 219600 82 6.06184 14.3316 2.7422e-12 2.2626e-07 4.7452e-08 1.6463e-07 6.1250e+01 6.7412e-10 1.6570e-10 2.6770e-04
|
||||
4 transp 20 9.75 223200 84 6.05183 14.3417 2.3008e-12 1.8750e-07 4.0743e-08 1.6260e-07 6.2250e+01 6.8205e-10 1.3887e-10 2.6816e-04
|
||||
4 transp 20 9.75 226800 86 6.04319 14.3504 1.9223e-12 1.5479e-07 3.4723e-08 1.6067e-07 6.3250e+01 6.8906e-10 1.1587e-10 2.6847e-04
|
||||
4 transp 20 9.75 230400 88 6.03578 14.3578 1.5993e-12 1.2734e-07 2.9385e-08 1.5887e-07 6.4250e+01 6.9524e-10 9.6273e-11 2.6865e-04
|
||||
|
||||
56
ex16.out
56
ex16.out
@ -80,6 +80,7 @@ Initial solution 1.
|
||||
pe = 4.000
|
||||
Specific Conductance (uS/cm, 25 oC) = 37
|
||||
Density (g/cm3) = 0.99708
|
||||
Volume (L) = 1.00305
|
||||
Activity of water = 1.000
|
||||
Ionic strength = 4.852e-04
|
||||
Mass of water (kg) = 1.000e+00
|
||||
@ -109,11 +110,11 @@ C(4) 7.825e-04
|
||||
CO3-2 2.628e-08 2.379e-08 -7.580 -7.624 -0.043 -4.02
|
||||
CaCO3 2.806e-09 2.806e-09 -8.552 -8.552 0.000 -14.60
|
||||
MgCO3 5.928e-10 5.928e-10 -9.227 -9.227 0.000 -17.09
|
||||
NaCO3- 5.934e-11 5.786e-11 -10.227 -10.238 -0.011 -2.88
|
||||
NaCO3- 5.932e-11 5.786e-11 -10.227 -10.238 -0.011 -2.88
|
||||
Ca 7.800e-05
|
||||
Ca+2 7.760e-05 7.023e-05 -4.110 -4.153 -0.043 -17.48
|
||||
CaHCO3+ 2.940e-07 2.868e-07 -6.532 -6.542 -0.011 9.66
|
||||
CaSO4 1.110e-07 1.111e-07 -6.954 -6.954 0.000 7.50
|
||||
CaSO4 1.111e-07 1.111e-07 -6.954 -6.954 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+ 4.723e-13 4.606e-13 -12.326 -12.337 -0.011 (0)
|
||||
@ -124,7 +125,6 @@ H(0) 5.636e-24
|
||||
K 2.800e-05
|
||||
K+ 2.800e-05 2.730e-05 -4.553 -4.564 -0.011 8.92
|
||||
KSO4- 1.749e-09 1.706e-09 -8.757 -8.768 -0.011 (0)
|
||||
KOH 1.500e-13 1.500e-13 -12.824 -12.824 0.000 (0)
|
||||
Mg 2.900e-05
|
||||
Mg+2 2.885e-05 2.612e-05 -4.540 -4.583 -0.043 -21.56
|
||||
MgHCO3+ 1.003e-07 9.780e-08 -6.999 -7.010 -0.011 5.47
|
||||
@ -134,23 +134,22 @@ Mg 2.900e-05
|
||||
Na 1.340e-04
|
||||
Na+ 1.340e-04 1.306e-04 -3.873 -3.884 -0.011 -1.21
|
||||
NaHCO3 4.180e-08 4.181e-08 -7.379 -7.379 0.000 29.13
|
||||
NaSO4- 5.971e-09 5.822e-09 -8.224 -8.235 -0.011 27.27
|
||||
NaCO3- 5.934e-11 5.786e-11 -10.227 -10.238 -0.011 -2.88
|
||||
NaOH 2.075e-22 2.075e-22 -21.683 -21.683 0.000 (0)
|
||||
NaSO4- 5.969e-09 5.822e-09 -8.224 -8.235 -0.011 27.27
|
||||
NaCO3- 5.932e-11 5.786e-11 -10.227 -10.238 -0.011 -2.88
|
||||
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 9.827e-06 8.892e-06 -5.008 -5.051 -0.043 13.27
|
||||
CaSO4 1.110e-07 1.111e-07 -6.954 -6.954 0.000 7.50
|
||||
CaSO4 1.111e-07 1.111e-07 -6.954 -6.954 0.000 7.50
|
||||
MgSO4 5.444e-08 5.445e-08 -7.264 -7.264 0.000 5.84
|
||||
NaSO4- 5.971e-09 5.822e-09 -8.224 -8.235 -0.011 27.27
|
||||
NaSO4- 5.969e-09 5.822e-09 -8.224 -8.235 -0.011 27.27
|
||||
KSO4- 1.749e-09 1.706e-09 -8.757 -8.768 -0.011 (0)
|
||||
HSO4- 5.594e-10 5.455e-10 -9.252 -9.263 -0.011 35.16
|
||||
HSO4- 5.593e-10 5.455e-10 -9.252 -9.263 -0.011 35.16
|
||||
CaHSO4+ 4.723e-13 4.606e-13 -12.326 -12.337 -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 7.605e-15 6.877e-15 -14.119 -14.163 -0.044 (0)
|
||||
H2SiO4-2 7.598e-15 6.877e-15 -14.119 -14.163 -0.043 (0)
|
||||
|
||||
------------------------------Saturation indices-------------------------------
|
||||
|
||||
@ -196,6 +195,7 @@ Initial solution 2.
|
||||
pe = 4.000
|
||||
Specific Conductance (uS/cm, 25 oC) = 95
|
||||
Density (g/cm3) = 0.99713
|
||||
Volume (L) = 1.00309
|
||||
Activity of water = 1.000
|
||||
Ionic strength = 1.313e-03
|
||||
Mass of water (kg) = 1.000e+00
|
||||
@ -219,19 +219,19 @@ Initial solution 2.
|
||||
C(4) 1.199e-03
|
||||
HCO3- 8.907e-04 8.557e-04 -3.050 -3.068 -0.017 24.59
|
||||
CO2 3.049e-04 3.049e-04 -3.516 -3.516 0.000 30.26
|
||||
CaHCO3+ 2.485e-06 2.387e-06 -5.605 -5.622 -0.017 9.68
|
||||
CaHCO3+ 2.484e-06 2.387e-06 -5.605 -5.622 -0.017 9.68
|
||||
MgHCO3+ 6.233e-07 5.985e-07 -6.205 -6.223 -0.018 5.48
|
||||
CO3-2 2.971e-07 2.532e-07 -6.527 -6.597 -0.069 -3.96
|
||||
NaHCO3 2.126e-07 2.127e-07 -6.672 -6.672 0.000 29.13
|
||||
CaCO3 9.299e-08 9.301e-08 -7.032 -7.031 0.000 -14.60
|
||||
CaCO3 9.299e-08 9.302e-08 -7.032 -7.031 0.000 -14.60
|
||||
MgCO3 1.444e-08 1.444e-08 -7.841 -7.840 0.000 -17.09
|
||||
NaCO3- 1.220e-09 1.172e-09 -8.913 -8.931 -0.018 -2.86
|
||||
NaCO3- 1.220e-09 1.172e-09 -8.914 -8.931 -0.017 -2.86
|
||||
Ca 2.600e-04
|
||||
Ca+2 2.567e-04 2.187e-04 -3.591 -3.660 -0.070 -17.43
|
||||
CaHCO3+ 2.485e-06 2.387e-06 -5.605 -5.622 -0.017 9.68
|
||||
CaHCO3+ 2.484e-06 2.387e-06 -5.605 -5.622 -0.017 9.68
|
||||
CaSO4 7.909e-07 7.911e-07 -6.102 -6.102 0.000 7.50
|
||||
CaCO3 9.299e-08 9.301e-08 -7.032 -7.031 0.000 -14.60
|
||||
CaOH+ 2.385e-10 2.290e-10 -9.623 -9.640 -0.018 (0)
|
||||
CaCO3 9.299e-08 9.302e-08 -7.032 -7.031 0.000 -14.60
|
||||
CaOH+ 2.382e-10 2.290e-10 -9.623 -9.640 -0.017 (0)
|
||||
CaHSO4+ 8.583e-13 8.242e-13 -12.066 -12.084 -0.018 (0)
|
||||
Cl 3.000e-05
|
||||
Cl- 3.000e-05 2.880e-05 -4.523 -4.541 -0.018 18.07
|
||||
@ -239,34 +239,32 @@ 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+ 4.000e-05 3.840e-05 -4.398 -4.416 -0.018 8.94
|
||||
KSO4- 5.717e-09 5.489e-09 -8.243 -8.260 -0.018 (0)
|
||||
KOH 8.398e-13 8.400e-13 -12.076 -12.076 0.000 (0)
|
||||
KSO4- 5.713e-09 5.489e-09 -8.243 -8.260 -0.017 (0)
|
||||
Mg 7.101e-05
|
||||
Mg+2 7.008e-05 5.977e-05 -4.154 -4.224 -0.069 -21.52
|
||||
Mg+2 7.008e-05 5.977e-05 -4.154 -4.224 -0.069 -21.51
|
||||
MgHCO3+ 6.233e-07 5.985e-07 -6.205 -6.223 -0.018 5.48
|
||||
MgSO4 2.850e-07 2.851e-07 -6.545 -6.545 0.000 5.84
|
||||
MgCO3 1.444e-08 1.444e-08 -7.841 -7.840 0.000 -17.09
|
||||
MgOH+ 1.426e-09 1.369e-09 -8.846 -8.864 -0.018 (0)
|
||||
MgOH+ 1.424e-09 1.369e-09 -8.846 -8.864 -0.017 (0)
|
||||
Na 2.590e-04
|
||||
Na+ 2.588e-04 2.485e-04 -3.587 -3.605 -0.018 -1.19
|
||||
NaHCO3 2.126e-07 2.127e-07 -6.672 -6.672 0.000 29.13
|
||||
NaSO4- 2.639e-08 2.534e-08 -7.579 -7.596 -0.018 27.29
|
||||
NaCO3- 1.220e-09 1.172e-09 -8.913 -8.931 -0.018 -2.86
|
||||
NaOH 1.571e-21 1.572e-21 -20.804 -20.804 0.000 (0)
|
||||
NaSO4- 2.638e-08 2.534e-08 -7.579 -7.596 -0.017 27.29
|
||||
NaCO3- 1.220e-09 1.172e-09 -8.914 -8.931 -0.017 -2.86
|
||||
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 2.389e-05 2.034e-05 -4.622 -4.692 -0.070 13.30
|
||||
SO4-2 2.389e-05 2.034e-05 -4.622 -4.692 -0.070 13.31
|
||||
CaSO4 7.909e-07 7.911e-07 -6.102 -6.102 0.000 7.50
|
||||
MgSO4 2.850e-07 2.851e-07 -6.545 -6.545 0.000 5.84
|
||||
NaSO4- 2.639e-08 2.534e-08 -7.579 -7.596 -0.018 27.29
|
||||
KSO4- 5.717e-09 5.489e-09 -8.243 -8.260 -0.018 (0)
|
||||
HSO4- 3.265e-10 3.135e-10 -9.486 -9.504 -0.018 35.17
|
||||
NaSO4- 2.638e-08 2.534e-08 -7.579 -7.596 -0.017 27.29
|
||||
KSO4- 5.713e-09 5.489e-09 -8.243 -8.260 -0.017 (0)
|
||||
HSO4- 3.264e-10 3.135e-10 -9.486 -9.504 -0.018 35.17
|
||||
CaHSO4+ 8.583e-13 8.242e-13 -12.066 -12.084 -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 1.925e-13 1.636e-13 -12.716 -12.786 -0.071 (0)
|
||||
H2SiO4-2 1.920e-13 1.636e-13 -12.717 -12.786 -0.069 (0)
|
||||
|
||||
------------------------------Saturation indices-------------------------------
|
||||
|
||||
@ -436,6 +434,6 @@ Reading input data for simulation 2.
|
||||
------------------------------------
|
||||
|
||||
------------------------------
|
||||
End of Run after 0.07 Seconds.
|
||||
End of Run after 0.05 Seconds.
|
||||
------------------------------
|
||||
|
||||
|
||||
132
ex17.out
132
ex17.out
@ -79,7 +79,7 @@ Initial solution 1. Black Sea water
|
||||
Elements Molality Moles
|
||||
|
||||
Br 4.401e-04 4.401e-04
|
||||
C 8.530e-04 8.530e-04 Equilibrium with CO2(g)
|
||||
C 8.453e-04 8.453e-04 Equilibrium with CO2(g)
|
||||
Ca 5.841e-03 5.841e-03
|
||||
Cl 2.930e-01 2.930e-01
|
||||
K 4.960e-03 4.960e-03
|
||||
@ -91,22 +91,23 @@ Initial solution 1. Black Sea water
|
||||
|
||||
pH = 8.000
|
||||
pe = 4.000
|
||||
Specific Conductance (uS/cm, 25 oC) = 31361
|
||||
Density (g/cm3) = 1.01093
|
||||
Specific Conductance (uS/cm, 25 oC) = 31362
|
||||
Density (g/cm3) = 1.01094
|
||||
Volume (L) = 1.00889
|
||||
Activity of water = 0.990
|
||||
Ionic strength = 3.752e-01
|
||||
Mass of water (kg) = 1.000e+00
|
||||
Total alkalinity (eq/kg) = 8.764e-04
|
||||
Total CO2 (mol/kg) = 8.530e-04
|
||||
Total alkalinity (eq/kg) = 8.684e-04
|
||||
Total CO2 (mol/kg) = 8.453e-04
|
||||
Temperature (deg C) = 25.00
|
||||
Electrical balance (eq) = 2.242e-03
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.34
|
||||
Electrical balance (eq) = 2.250e-03
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.35
|
||||
Iterations = 9
|
||||
Gamma iterations = 3
|
||||
Osmotic coefficient = 0.89851
|
||||
Density of water = 0.99706
|
||||
Total H = 1.110132e+02
|
||||
Total O = 5.556985e+01
|
||||
Total O = 5.556983e+01
|
||||
|
||||
----------------------------Distribution of species----------------------------
|
||||
|
||||
@ -114,49 +115,49 @@ Initial solution 1. Black Sea water
|
||||
MacInnes Log Log Log mole V
|
||||
Species Molality Activity Molality Activity Gamma cm3/mol
|
||||
|
||||
OH- 1.654e-06 9.925e-07 -5.781 -6.003 -0.222 -2.93
|
||||
OH- 1.663e-06 9.977e-07 -5.779 -6.001 -0.222 -2.99
|
||||
H+ 1.290e-08 1.000e-08 -7.889 -8.000 -0.111 0.00
|
||||
H2O 5.551e+01 9.903e-01 1.744 -0.004 0.000 18.07
|
||||
Br 4.401e-04
|
||||
Br- 4.401e-04 3.004e-04 -3.356 -3.522 -0.166 25.36
|
||||
C(4) 8.530e-04
|
||||
HCO3- 8.119e-04 4.990e-04 -3.091 -3.302 -0.211 25.96
|
||||
CO3-2 1.627e-05 2.285e-06 -4.789 -5.641 -0.853 -1.62
|
||||
MgCO3 1.454e-05 1.454e-05 -4.837 -4.837 0.000 -17.09
|
||||
C(4) 8.453e-04
|
||||
HCO3- 8.044e-04 4.944e-04 -3.095 -3.306 -0.211 25.95
|
||||
CO3-2 1.612e-05 2.264e-06 -4.793 -5.645 -0.853 -1.27
|
||||
MgCO3 1.441e-05 1.441e-05 -4.841 -4.841 0.000 -17.09
|
||||
CO2 1.036e-05 1.096e-05 -4.985 -4.960 0.024 30.26
|
||||
Ca 5.841e-03
|
||||
Ca+2 5.841e-03 1.473e-03 -2.233 -2.832 -0.598 -16.61
|
||||
Ca+2 5.841e-03 1.473e-03 -2.233 -2.832 -0.598 -16.97
|
||||
Cl 2.930e-01
|
||||
Cl- 2.930e-01 1.960e-01 -0.533 -0.708 -0.175 18.60
|
||||
Cl- 2.930e-01 1.960e-01 -0.533 -0.708 -0.175 18.61
|
||||
K 4.960e-03
|
||||
K+ 4.960e-03 3.418e-03 -2.305 -2.466 -0.162 9.52
|
||||
K+ 4.960e-03 3.418e-03 -2.305 -2.466 -0.162 9.48
|
||||
Mg 2.807e-02
|
||||
Mg+2 2.805e-02 7.511e-03 -1.552 -2.124 -0.572 -20.67
|
||||
MgCO3 1.454e-05 1.454e-05 -4.837 -4.837 0.000 -17.09
|
||||
Mg+2 2.805e-02 7.511e-03 -1.552 -2.124 -0.572 -20.69
|
||||
MgCO3 1.441e-05 1.441e-05 -4.841 -4.841 0.000 -17.09
|
||||
MgOH+ 1.244e-06 1.155e-06 -5.905 -5.938 -0.032 (0)
|
||||
Na 2.544e-01
|
||||
Na+ 2.544e-01 1.835e-01 -0.595 -0.736 -0.142 -0.75
|
||||
Na+ 2.544e-01 1.836e-01 -0.595 -0.736 -0.142 -0.79
|
||||
S(6) 1.527e-02
|
||||
SO4-2 1.527e-02 2.117e-03 -1.816 -2.674 -0.858 17.17
|
||||
SO4-2 1.527e-02 2.117e-03 -1.816 -2.674 -0.858 17.27
|
||||
HSO4- 2.952e-09 2.017e-09 -8.530 -8.695 -0.165 40.79
|
||||
|
||||
------------------------------Saturation indices-------------------------------
|
||||
|
||||
Phase SI log IAP log K(298 K, 1 atm)
|
||||
|
||||
Anhydrite -1.29 -5.51 -4.22 CaSO4
|
||||
Aragonite -0.25 -8.47 -8.22 CaCO3
|
||||
Anhydrite -1.28 -5.51 -4.22 CaSO4
|
||||
Aragonite -0.26 -8.48 -8.22 CaCO3
|
||||
Arcanite -5.83 -7.61 -1.78 K2SO4
|
||||
Bischofite -8.02 -3.57 4.46 MgCl2:6H2O
|
||||
Bloedite -6.62 -8.96 -2.35 Na2Mg(SO4)2:4H2O
|
||||
Brucite -3.25 -14.13 -10.88 Mg(OH)2
|
||||
Burkeite -14.64 -15.41 -0.77 Na6CO3(SO4)2
|
||||
Calcite -0.07 -8.47 -8.41 CaCO3
|
||||
Calcite -0.07 -8.48 -8.41 CaCO3
|
||||
Carnallite -11.07 -6.74 4.33 KMgCl3:6H2O
|
||||
CO2(g) -3.50 -4.96 -1.46 CO2 Pressure 0.0 atm, phi 1.000.
|
||||
Dolomite 0.84 -16.24 -17.08 CaMg(CO3)2
|
||||
Dolomite 0.84 -16.25 -17.08 CaMg(CO3)2
|
||||
Epsomite -2.95 -4.83 -1.88 MgSO4:7H2O
|
||||
Gaylussite -6.19 -15.61 -9.42 CaNa2(CO3)2:5H2O
|
||||
Gaylussite -6.19 -15.62 -9.42 CaNa2(CO3)2:5H2O
|
||||
Glaserite -9.68 -13.48 -3.80 NaK3(SO4)2
|
||||
Glauberite -4.41 -9.65 -5.25 Na2Ca(SO4)2
|
||||
Gypsum -0.93 -5.51 -4.58 CaSO4:2H2O
|
||||
@ -169,20 +170,20 @@ S(6) 1.527e-02
|
||||
Labile_S -8.14 -13.81 -5.67 Na4Ca(SO4)3:2H2O
|
||||
Leonhardite -3.93 -4.82 -0.89 MgSO4:4H2O
|
||||
Leonite -8.44 -12.42 -3.98 K2Mg(SO4)2:4H2O
|
||||
Magnesite 0.07 -7.77 -7.83 MgCO3
|
||||
Magnesite 0.06 -7.77 -7.83 MgCO3
|
||||
Mirabilite -2.98 -4.19 -1.21 Na2SO4:10H2O
|
||||
Misenite -75.64 -86.45 -10.81 K8H6(SO4)7
|
||||
Nahcolite -3.64 -14.38 -10.74 NaHCO3
|
||||
Natron -6.33 -7.16 -0.82 Na2CO3:10H2O
|
||||
Nesquehonite -2.61 -7.78 -5.17 MgCO3:3H2O
|
||||
Natron -6.34 -7.16 -0.82 Na2CO3:10H2O
|
||||
Nesquehonite -2.62 -7.78 -5.17 MgCO3:3H2O
|
||||
Pentahydrite -3.53 -4.82 -1.28 MgSO4:5H2O
|
||||
Pirssonite -6.36 -15.60 -9.23 Na2Ca(CO3)2:2H2O
|
||||
Pirssonite -6.37 -15.60 -9.23 Na2Ca(CO3)2:2H2O
|
||||
Polyhalite -9.68 -23.43 -13.74 K2MgCa2(SO4)4:2H2O
|
||||
Portlandite -9.65 -14.84 -5.19 Ca(OH)2
|
||||
Portlandite -9.64 -14.83 -5.19 Ca(OH)2
|
||||
Schoenite -8.10 -12.43 -4.33 K2Mg(SO4)2:6H2O
|
||||
Sylvite -4.07 -3.17 0.90 KCl
|
||||
Syngenite -5.67 -13.12 -7.45 K2Ca(SO4)2:H2O
|
||||
Trona -10.12 -21.50 -11.38 Na3H(CO3)2:2H2O
|
||||
Trona -10.12 -21.51 -11.38 Na3H(CO3)2:2H2O
|
||||
|
||||
|
||||
Initial solution 2. Composition during halite precipitation
|
||||
@ -192,7 +193,7 @@ Initial solution 2. Composition during halite precipitation
|
||||
Elements Molality Moles
|
||||
|
||||
Br 3.785e-02 3.785e-02
|
||||
C 7.249e-06 7.249e-06 Equilibrium with CO2(g)
|
||||
C 7.206e-06 7.206e-06 Equilibrium with CO2(g)
|
||||
Cl 6.004e+00 6.004e+00
|
||||
K 4.578e-01 4.578e-01
|
||||
Mg 2.354e+00 2.354e+00
|
||||
@ -204,12 +205,13 @@ Initial solution 2. Composition during halite precipitation
|
||||
pH = 5.000
|
||||
pe = 4.000
|
||||
Specific Conductance (uS/cm, 25 oC) = 598313
|
||||
Density (g/cm3) = 1.26362
|
||||
Density (g/cm3) = 1.26987
|
||||
Volume (L) = 1.17915
|
||||
Activity of water = 0.681
|
||||
Ionic strength = 1.111e+01
|
||||
Mass of water (kg) = 1.000e+00
|
||||
Total alkalinity (eq/kg) = 7.802e-06
|
||||
Total CO2 (mol/kg) = 7.249e-06
|
||||
Total alkalinity (eq/kg) = 7.758e-06
|
||||
Total CO2 (mol/kg) = 7.206e-06
|
||||
Temperature (deg C) = 25.00
|
||||
Electrical balance (eq) = 4.629e-02
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.29
|
||||
@ -227,27 +229,27 @@ Initial solution 2. Composition during halite precipitation
|
||||
Species Molality Activity Molality Activity Gamma cm3/mol
|
||||
|
||||
H+ 5.602e-07 1.000e-05 -6.252 -5.000 1.252 0.00
|
||||
OH- 1.199e-08 6.821e-10 -7.921 -9.166 -1.245 16.97
|
||||
OH- 1.205e-08 6.857e-10 -7.919 -9.164 -1.245 9.31
|
||||
H2O 5.551e+01 6.806e-01 1.744 -0.167 0.000 18.07
|
||||
Br 3.785e-02
|
||||
Br- 3.785e-02 4.950e-02 -1.422 -1.305 0.116 27.92
|
||||
C(4) 7.249e-06
|
||||
HCO3- 4.600e-06 3.429e-07 -5.337 -6.465 -1.128 52.23
|
||||
C(4) 7.206e-06
|
||||
HCO3- 4.558e-06 3.398e-07 -5.341 -6.469 -1.128 47.51
|
||||
CO2 2.575e-06 1.096e-05 -5.589 -4.960 0.629 30.26
|
||||
MgCO3 6.775e-08 6.775e-08 -7.169 -7.169 0.000 -17.09
|
||||
CO3-2 5.932e-09 1.570e-12 -8.227 -11.804 -3.577 13.49
|
||||
MgCO3 6.713e-08 6.713e-08 -7.173 -7.173 0.000 -17.09
|
||||
CO3-2 5.877e-09 1.556e-12 -8.231 -11.808 -3.577 14.84
|
||||
Cl 6.004e+00
|
||||
Cl- 6.004e+00 4.512e+00 0.778 0.654 -0.124 20.70
|
||||
Cl- 6.004e+00 4.512e+00 0.778 0.654 -0.124 20.71
|
||||
K 4.578e-01
|
||||
K+ 4.578e-01 4.785e-01 -0.339 -0.320 0.019 13.34
|
||||
K+ 4.578e-01 4.785e-01 -0.339 -0.320 0.019 14.34
|
||||
Mg 2.354e+00
|
||||
Mg+2 2.354e+00 5.091e+01 0.372 1.707 1.335 -15.42
|
||||
Mg+2 2.354e+00 5.091e+01 0.372 1.707 1.335 -15.59
|
||||
MgOH+ 6.271e-06 5.379e-06 -5.203 -5.269 -0.067 (0)
|
||||
MgCO3 6.775e-08 6.775e-08 -7.169 -7.169 0.000 -17.09
|
||||
MgCO3 6.713e-08 6.713e-08 -7.173 -7.173 0.000 -17.09
|
||||
Na 2.720e+00
|
||||
Na+ 2.720e+00 8.671e+00 0.435 0.938 0.503 3.46
|
||||
Na+ 2.720e+00 8.671e+00 0.435 0.938 0.503 2.74
|
||||
S(6) 8.986e-01
|
||||
SO4-2 8.986e-01 2.260e-03 -0.046 -2.646 -2.599 35.55
|
||||
SO4-2 8.986e-01 2.260e-03 -0.046 -2.646 -2.599 31.36
|
||||
HSO4- 2.669e-06 2.153e-06 -5.574 -5.667 -0.093 42.44
|
||||
|
||||
------------------------------Saturation indices-------------------------------
|
||||
@ -257,7 +259,7 @@ S(6) 8.986e-01
|
||||
Arcanite -1.51 -3.29 -1.78 K2SO4
|
||||
Bischofite -2.44 2.01 4.46 MgCl2:6H2O
|
||||
Bloedite -0.03 -2.38 -2.35 Na2Mg(SO4)2:4H2O
|
||||
Brucite -5.75 -16.63 -10.88 Mg(OH)2
|
||||
Brucite -5.74 -16.62 -10.88 Mg(OH)2
|
||||
Burkeite -10.70 -11.47 -0.77 Na6CO3(SO4)2
|
||||
Carnallite -1.98 2.35 4.33 KMgCl3:6H2O
|
||||
CO2(g) -3.50 -4.96 -1.46 CO2 Pressure 0.0 atm, phi 1.000.
|
||||
@ -267,20 +269,20 @@ S(6) 8.986e-01
|
||||
Halite 0.02 1.59 1.57 NaCl
|
||||
Hexahydrite -0.31 -1.94 -1.63 MgSO4:6H2O
|
||||
Kainite -0.91 -1.11 -0.19 KMgClSO4:3H2O
|
||||
Kalicinite -7.07 -17.12 -10.06 KHCO3
|
||||
Kalicinite -7.07 -17.13 -10.06 KHCO3
|
||||
Kieserite -0.98 -1.11 -0.12 MgSO4:H2O
|
||||
Leonhardite -0.72 -1.61 -0.89 MgSO4:4H2O
|
||||
Leonite -0.91 -4.89 -3.98 K2Mg(SO4)2:4H2O
|
||||
Magnesite -2.26 -10.10 -7.83 MgCO3
|
||||
Magnesite -2.27 -10.10 -7.83 MgCO3
|
||||
Mirabilite -1.23 -2.44 -1.21 Na2SO4:10H2O
|
||||
Misenite -40.28 -51.08 -10.81 K8H6(SO4)7
|
||||
Nahcolite -5.12 -15.87 -10.74 NaHCO3
|
||||
Natron -10.77 -11.60 -0.82 Na2CO3:10H2O
|
||||
Nesquehonite -5.43 -10.60 -5.17 MgCO3:3H2O
|
||||
Nahcolite -5.13 -15.87 -10.74 NaHCO3
|
||||
Natron -10.78 -11.60 -0.82 Na2CO3:10H2O
|
||||
Nesquehonite -5.44 -10.60 -5.17 MgCO3:3H2O
|
||||
Pentahydrite -0.49 -1.77 -1.28 MgSO4:5H2O
|
||||
Schoenite -0.90 -5.23 -4.33 K2Mg(SO4)2:6H2O
|
||||
Sylvite -0.57 0.33 0.90 KCl
|
||||
Trona -14.74 -26.13 -11.38 Na3H(CO3)2:2H2O
|
||||
Trona -14.75 -26.14 -11.38 Na3H(CO3)2:2H2O
|
||||
|
||||
|
||||
---------------------------------------------
|
||||
@ -293,23 +295,23 @@ Solution 1: Black Sea water
|
||||
|
||||
Input Delta Input+Delta
|
||||
pH 8.000e+00 + 0.000e+00 = 8.000e+00
|
||||
Alkalinity 8.764e-04 + 0.000e+00 = 8.764e-04
|
||||
Alkalinity 8.684e-04 + 0.000e+00 = 8.684e-04
|
||||
Br 4.401e-04 + 0.000e+00 = 4.401e-04
|
||||
C(4) 8.530e-04 + 0.000e+00 = 8.530e-04
|
||||
C(4) 8.453e-04 + 0.000e+00 = 8.453e-04
|
||||
Ca 5.841e-03 + 0.000e+00 = 5.841e-03
|
||||
Cl 2.930e-01 + 8.006e-04 = 2.938e-01
|
||||
K 4.960e-03 + 1.034e-04 = 5.063e-03
|
||||
Mg 2.807e-02 + -7.018e-04 = 2.737e-02
|
||||
Na 2.544e-01 + 0.000e+00 = 2.544e-01
|
||||
S(6) 1.527e-02 + 7.086e-05 = 1.534e-02
|
||||
S(6) 1.527e-02 + 7.486e-05 = 1.535e-02
|
||||
|
||||
Solution 2: Composition during halite precipitation
|
||||
|
||||
Input Delta Input+Delta
|
||||
pH 5.000e+00 + 3.799e-12 = 5.000e+00
|
||||
Alkalinity 7.802e-06 + 0.000e+00 = 7.802e-06
|
||||
pH 5.000e+00 + -9.488e-13 = 5.000e+00
|
||||
Alkalinity 7.758e-06 + 0.000e+00 = 7.758e-06
|
||||
Br 3.785e-02 + 9.440e-04 = 3.880e-02
|
||||
C(4) 7.249e-06 + 0.000e+00 = 7.249e-06
|
||||
C(4) 7.206e-06 + 0.000e+00 = 7.206e-06
|
||||
Ca 0.000e+00 + 0.000e+00 = 0.000e+00
|
||||
Cl 6.004e+00 + 1.501e-01 = 6.154e+00
|
||||
K 4.578e-01 + -1.144e-02 = 4.464e-01
|
||||
@ -323,15 +325,15 @@ Solution fractions: Minimum Maximum
|
||||
|
||||
Phase mole transfers: Minimum Maximum
|
||||
H2O(g) -4.837e+03 -4.817e+03 -4.817e+03 H2O
|
||||
Calcite -3.862e-02 -3.959e-02 -3.751e-02 CaCO3
|
||||
CO2(g) -3.657e-02 -3.771e-02 -3.528e-02 CO2
|
||||
Gypsum -4.763e-01 -4.901e-01 -4.606e-01 CaSO4:2H2O
|
||||
Calcite -3.827e-02 -3.923e-02 -3.716e-02 CaCO3
|
||||
CO2(g) -3.624e-02 -3.737e-02 -3.497e-02 CO2
|
||||
Gypsum -4.767e-01 -4.905e-01 -4.609e-01 CaSO4:2H2O
|
||||
Halite -1.975e+01 -2.033e+01 -1.901e+01 NaCl
|
||||
|
||||
Redox mole transfers:
|
||||
|
||||
Sum of residuals (epsilons in documentation): 1.934e+02
|
||||
Sum of delta/uncertainty limit: 7.809e+00
|
||||
Sum of residuals (epsilons in documentation): 1.943e+02
|
||||
Sum of delta/uncertainty limit: 7.820e+00
|
||||
Maximum fractional error in element concentration: 2.500e-02
|
||||
|
||||
Model contains minimum number of phases.
|
||||
@ -353,6 +355,6 @@ Reading input data for simulation 2.
|
||||
------------------------------------
|
||||
|
||||
------------------------------
|
||||
End of Run after 0.12 Seconds.
|
||||
End of Run after 0.09 Seconds.
|
||||
------------------------------
|
||||
|
||||
|
||||
188
ex18.out
188
ex18.out
@ -119,6 +119,7 @@ Initial solution 1. Recharge number 3
|
||||
pe = 0.000
|
||||
Specific Conductance (uS/cm, 9 oC) = 272
|
||||
Density (g/cm3) = 0.99999
|
||||
Volume (L) = 1.00058
|
||||
Activity of water = 1.000
|
||||
Ionic strength = 6.547e-03
|
||||
Mass of water (kg) = 1.000e+00
|
||||
@ -142,21 +143,21 @@ Initial solution 1. Recharge number 3
|
||||
C(4) 4.300e-03
|
||||
HCO3- 3.929e-03 3.622e-03 -2.406 -2.441 -0.035 23.26
|
||||
CO2 2.970e-04 2.974e-04 -3.527 -3.527 0.001 35.36
|
||||
MgHCO3+ 3.097e-05 2.848e-05 -4.509 -4.545 -0.036 4.94
|
||||
CaHCO3+ 3.029e-05 2.793e-05 -4.519 -4.554 -0.035 8.97
|
||||
MgHCO3+ 3.098e-05 2.848e-05 -4.509 -4.545 -0.036 4.94
|
||||
CaHCO3+ 3.026e-05 2.793e-05 -4.519 -4.554 -0.035 8.97
|
||||
CO3-2 5.766e-06 4.167e-06 -5.239 -5.380 -0.141 -6.15
|
||||
CaCO3 4.729e-06 4.736e-06 -5.325 -5.325 0.001 -14.66
|
||||
MgCO3 2.207e-06 2.210e-06 -5.656 -5.656 0.001 -17.07
|
||||
FeHCO3+ 2.086e-07 1.919e-07 -6.681 -6.717 -0.036 (0)
|
||||
NaHCO3 1.610e-07 1.612e-07 -6.793 -6.793 0.001 26.11
|
||||
FeCO3 5.287e-08 5.295e-08 -7.277 -7.276 0.001 (0)
|
||||
NaCO3- 6.904e-10 6.351e-10 -9.161 -9.197 -0.036 -3.74
|
||||
NaCO3- 6.888e-10 6.351e-10 -9.162 -9.197 -0.035 -3.74
|
||||
Ca 1.200e-03
|
||||
Ca+2 1.152e-03 8.322e-04 -2.939 -3.080 -0.141 -18.07
|
||||
CaHCO3+ 3.029e-05 2.793e-05 -4.519 -4.554 -0.035 8.97
|
||||
Ca+2 1.152e-03 8.322e-04 -2.939 -3.080 -0.141 -18.05
|
||||
CaHCO3+ 3.026e-05 2.793e-05 -4.519 -4.554 -0.035 8.97
|
||||
CaSO4 1.288e-05 1.290e-05 -4.890 -4.889 0.001 6.78
|
||||
CaCO3 4.729e-06 4.736e-06 -5.325 -5.325 0.001 -14.66
|
||||
CaOH+ 5.327e-09 4.900e-09 -8.274 -8.310 -0.036 (0)
|
||||
CaOH+ 5.308e-09 4.900e-09 -8.275 -8.310 -0.035 (0)
|
||||
CaHSO4+ 2.152e-12 1.980e-12 -11.667 -11.703 -0.036 (0)
|
||||
Cl 2.000e-05
|
||||
Cl- 2.000e-05 1.838e-05 -4.699 -4.736 -0.037 17.39
|
||||
@ -166,37 +167,37 @@ Fe(2) 1.000e-06
|
||||
FeHCO3+ 2.086e-07 1.919e-07 -6.681 -6.717 -0.036 (0)
|
||||
FeCO3 5.287e-08 5.295e-08 -7.277 -7.276 0.001 (0)
|
||||
FeSO4 6.907e-09 6.917e-09 -8.161 -8.160 0.001 (0)
|
||||
FeOH+ 1.968e-09 1.811e-09 -8.706 -8.742 -0.036 (0)
|
||||
FeOH+ 1.965e-09 1.811e-09 -8.707 -8.742 -0.036 (0)
|
||||
FeCl+ 1.461e-11 1.344e-11 -10.835 -10.872 -0.036 (0)
|
||||
Fe(OH)2 1.369e-13 1.371e-13 -12.864 -12.863 0.001 (0)
|
||||
FeHSO4+ 1.370e-15 1.260e-15 -14.863 -14.900 -0.036 (0)
|
||||
Fe(OH)3- 1.677e-16 1.545e-16 -15.775 -15.811 -0.036 (0)
|
||||
H(0) 1.316e-18
|
||||
H2 6.579e-19 6.588e-19 -18.182 -18.181 0.001 28.63
|
||||
K 2.000e-05
|
||||
K+ 1.999e-05 1.837e-05 -4.699 -4.736 -0.037 8.22
|
||||
KSO4- 1.044e-08 9.604e-09 -7.981 -8.018 -0.036 (0)
|
||||
KOH 2.256e-12 2.259e-12 -11.647 -11.646 0.001 (0)
|
||||
KSO4- 1.042e-08 9.604e-09 -7.982 -8.018 -0.035 (0)
|
||||
Mg 1.010e-03
|
||||
Mg+2 9.661e-04 7.009e-04 -3.015 -3.154 -0.139 -20.97
|
||||
MgHCO3+ 3.097e-05 2.848e-05 -4.509 -4.545 -0.036 4.94
|
||||
Mg+2 9.661e-04 7.009e-04 -3.015 -3.154 -0.139 -20.96
|
||||
MgHCO3+ 3.098e-05 2.848e-05 -4.509 -4.545 -0.036 4.94
|
||||
MgSO4 1.070e-05 1.071e-05 -4.971 -4.970 0.001 5.11
|
||||
MgCO3 2.207e-06 2.210e-06 -5.656 -5.656 0.001 -17.07
|
||||
MgOH+ 2.334e-08 2.147e-08 -7.632 -7.668 -0.036 (0)
|
||||
MgOH+ 2.324e-08 2.147e-08 -7.634 -7.668 -0.034 (0)
|
||||
Na 2.000e-05
|
||||
Na+ 1.983e-05 1.825e-05 -4.703 -4.739 -0.036 -2.09
|
||||
NaHCO3 1.610e-07 1.612e-07 -6.793 -6.793 0.001 26.11
|
||||
NaSO4- 8.832e-09 8.124e-09 -8.054 -8.090 -0.036 27.88
|
||||
NaCO3- 6.904e-10 6.351e-10 -9.161 -9.197 -0.036 -3.74
|
||||
NaOH 1.832e-22 1.835e-22 -21.737 -21.736 0.001 (0)
|
||||
NaSO4- 8.811e-09 8.124e-09 -8.055 -8.090 -0.035 27.88
|
||||
NaCO3- 6.888e-10 6.351e-10 -9.162 -9.197 -0.035 -3.74
|
||||
O(0) 0.000e+00
|
||||
O2 0.000e+00 0.000e+00 -61.151 -61.151 0.001 28.94
|
||||
S(6) 1.600e-04
|
||||
SO4-2 1.364e-04 9.822e-05 -3.865 -4.008 -0.143 10.70
|
||||
SO4-2 1.364e-04 9.822e-05 -3.865 -4.008 -0.143 10.72
|
||||
CaSO4 1.288e-05 1.290e-05 -4.890 -4.889 0.001 6.78
|
||||
MgSO4 1.070e-05 1.071e-05 -4.971 -4.970 0.001 5.11
|
||||
KSO4- 1.044e-08 9.604e-09 -7.981 -8.018 -0.036 (0)
|
||||
NaSO4- 8.832e-09 8.124e-09 -8.054 -8.090 -0.036 27.88
|
||||
KSO4- 1.042e-08 9.604e-09 -7.982 -8.018 -0.035 (0)
|
||||
NaSO4- 8.811e-09 8.124e-09 -8.055 -8.090 -0.035 27.88
|
||||
FeSO4 6.907e-09 6.917e-09 -8.161 -8.160 0.001 (0)
|
||||
HSO4- 2.151e-10 1.978e-10 -9.667 -9.704 -0.036 33.81
|
||||
HSO4- 2.149e-10 1.978e-10 -9.668 -9.704 -0.036 33.81
|
||||
CaHSO4+ 2.152e-12 1.980e-12 -11.667 -11.703 -0.036 (0)
|
||||
FeHSO4+ 1.370e-15 1.260e-15 -14.863 -14.900 -0.036 (0)
|
||||
|
||||
@ -205,7 +206,7 @@ S(6) 1.600e-04
|
||||
Phase SI log IAP log K(283 K, 1 atm)
|
||||
|
||||
Anhydrite -3.01 -7.09 -4.08 CaSO4
|
||||
Aragonite -0.21 -8.46 -8.25 CaCO3
|
||||
Aragonite -0.20 -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
|
||||
@ -240,10 +241,11 @@ Initial solution 2. Mysse
|
||||
|
||||
pH = 6.610
|
||||
pe = 0.000
|
||||
Specific Conductance (uS/cm, 63 oC) = 10096
|
||||
Specific Conductance (uS/cm, 63 oC) = 10099
|
||||
Density (g/cm3) = 0.98527
|
||||
Volume (L) = 1.02100
|
||||
Activity of water = 0.999
|
||||
Ionic strength = 7.404e-02
|
||||
Ionic strength = 7.406e-02
|
||||
Mass of water (kg) = 1.000e+00
|
||||
Total alkalinity (eq/kg) = 5.255e-03
|
||||
Total CO2 (mol/kg) = 6.870e-03
|
||||
@ -258,7 +260,7 @@ Initial solution 2. Mysse
|
||||
|
||||
Redox couple pe Eh (volts)
|
||||
|
||||
S(-2)/S(6) -3.6475 -0.2433
|
||||
S(-2)/S(6) -3.6474 -0.2433
|
||||
|
||||
----------------------------Distribution of species----------------------------
|
||||
|
||||
@ -269,73 +271,73 @@ Initial solution 2. Mysse
|
||||
H+ 2.966e-07 2.455e-07 -6.528 -6.610 -0.082 0.00
|
||||
H2O 5.551e+01 9.985e-01 1.744 -0.001 0.000 18.35
|
||||
C(4) 6.870e-03
|
||||
HCO3- 4.732e-03 3.757e-03 -2.325 -2.425 -0.100 25.47
|
||||
CO2 1.788e-03 1.819e-03 -2.748 -2.740 0.007 23.72
|
||||
CaHCO3+ 2.468e-04 1.960e-04 -3.608 -3.708 -0.100 10.78
|
||||
MgHCO3+ 6.518e-05 5.114e-05 -4.186 -4.291 -0.105 6.21
|
||||
CaCO3 1.637e-05 1.666e-05 -4.786 -4.778 0.007 -14.51
|
||||
NaHCO3 1.359e-05 1.382e-05 -4.867 -4.859 0.007 33.01
|
||||
NaCO3- 3.523e-06 2.764e-06 -5.453 -5.558 -0.105 -0.91
|
||||
CO3-2 2.805e-06 1.115e-06 -5.552 -5.953 -0.401 -2.22
|
||||
HCO3- 4.733e-03 3.758e-03 -2.325 -2.425 -0.100 25.47
|
||||
CO2 1.789e-03 1.820e-03 -2.747 -2.740 0.007 23.72
|
||||
CaHCO3+ 2.449e-04 1.960e-04 -3.611 -3.708 -0.097 10.78
|
||||
MgHCO3+ 6.579e-05 5.112e-05 -4.182 -4.291 -0.110 6.21
|
||||
CaCO3 1.638e-05 1.666e-05 -4.786 -4.778 0.007 -14.51
|
||||
NaHCO3 1.360e-05 1.383e-05 -4.867 -4.859 0.007 33.01
|
||||
NaCO3- 3.484e-06 2.766e-06 -5.458 -5.558 -0.100 -0.91
|
||||
CO3-2 2.806e-06 1.115e-06 -5.552 -5.953 -0.401 -2.22
|
||||
MgCO3 1.624e-06 1.652e-06 -5.789 -5.782 0.007 -17.09
|
||||
FeHCO3+ 1.180e-08 9.260e-09 -7.928 -8.033 -0.105 (0)
|
||||
FeCO3 6.480e-10 6.592e-10 -9.188 -9.181 0.007 (0)
|
||||
FeHCO3+ 1.180e-08 9.261e-09 -7.928 -8.033 -0.105 (0)
|
||||
FeCO3 6.481e-10 6.593e-10 -9.188 -9.181 0.007 (0)
|
||||
Ca 1.128e-02
|
||||
Ca+2 7.602e-03 3.036e-03 -2.119 -2.518 -0.399 -16.66
|
||||
CaSO4 3.415e-03 3.474e-03 -2.467 -2.459 0.007 8.42
|
||||
CaHCO3+ 2.468e-04 1.960e-04 -3.608 -3.708 -0.100 10.78
|
||||
CaCO3 1.637e-05 1.666e-05 -4.786 -4.778 0.007 -14.51
|
||||
CaHSO4+ 1.416e-08 1.111e-08 -7.849 -7.954 -0.105 (0)
|
||||
CaOH+ 2.612e-09 2.050e-09 -8.583 -8.688 -0.105 (0)
|
||||
Ca+2 7.602e-03 3.036e-03 -2.119 -2.518 -0.399 -16.59
|
||||
CaSO4 3.417e-03 3.476e-03 -2.466 -2.459 0.007 8.42
|
||||
CaHCO3+ 2.449e-04 1.960e-04 -3.611 -3.708 -0.097 10.78
|
||||
CaCO3 1.638e-05 1.666e-05 -4.786 -4.778 0.007 -14.51
|
||||
CaHSO4+ 1.417e-08 1.112e-08 -7.849 -7.954 -0.105 (0)
|
||||
CaOH+ 2.560e-09 2.049e-09 -8.592 -8.688 -0.097 (0)
|
||||
Cl 1.785e-02
|
||||
Cl- 1.785e-02 1.378e-02 -1.748 -1.861 -0.112 18.29
|
||||
FeCl+ 5.978e-10 4.690e-10 -9.223 -9.329 -0.105 (0)
|
||||
FeCl+ 5.977e-10 4.690e-10 -9.224 -9.329 -0.105 (0)
|
||||
Fe(2) 4.000e-07
|
||||
Fe(HS)2 2.820e-07 2.868e-07 -6.550 -6.542 0.007 (0)
|
||||
Fe+2 6.004e-08 2.465e-08 -7.222 -7.608 -0.387 -22.14
|
||||
FeSO4 3.988e-08 4.057e-08 -7.399 -7.392 0.007 (0)
|
||||
FeHCO3+ 1.180e-08 9.260e-09 -7.928 -8.033 -0.105 (0)
|
||||
Fe(HS)3- 4.549e-09 3.569e-09 -8.342 -8.447 -0.105 (0)
|
||||
FeCO3 6.480e-10 6.592e-10 -9.188 -9.181 0.007 (0)
|
||||
FeCl+ 5.978e-10 4.690e-10 -9.223 -9.329 -0.105 (0)
|
||||
FeOH+ 5.015e-10 3.935e-10 -9.300 -9.405 -0.105 (0)
|
||||
FeHSO4+ 1.150e-13 9.021e-14 -12.939 -13.045 -0.105 (0)
|
||||
H(0) 1.183e-09
|
||||
H2 5.913e-10 6.015e-10 -9.228 -9.221 0.007 28.58
|
||||
FeSO4 3.990e-08 4.059e-08 -7.399 -7.392 0.007 (0)
|
||||
FeHCO3+ 1.180e-08 9.261e-09 -7.928 -8.033 -0.105 (0)
|
||||
Fe(HS)3- 4.548e-09 3.569e-09 -8.342 -8.447 -0.105 (0)
|
||||
FeCO3 6.481e-10 6.593e-10 -9.188 -9.181 0.007 (0)
|
||||
FeCl+ 5.977e-10 4.690e-10 -9.224 -9.329 -0.105 (0)
|
||||
FeOH+ 4.984e-10 3.934e-10 -9.302 -9.405 -0.103 (0)
|
||||
Fe(OH)2 2.512e-13 2.555e-13 -12.600 -12.593 0.007 (0)
|
||||
FeHSO4+ 1.150e-13 9.026e-14 -12.939 -13.045 -0.105 (0)
|
||||
Fe(OH)3- 6.811e-17 5.376e-17 -16.167 -16.270 -0.103 (0)
|
||||
H(0) 1.182e-09
|
||||
H2 5.912e-10 6.013e-10 -9.228 -9.221 0.007 28.58
|
||||
K 2.540e-03
|
||||
K+ 2.391e-03 1.847e-03 -2.621 -2.734 -0.112 9.94
|
||||
KSO4- 1.488e-04 1.167e-04 -3.827 -3.933 -0.105 (0)
|
||||
KOH 2.561e-11 2.605e-11 -10.592 -10.584 0.007 (0)
|
||||
K+ 2.393e-03 1.848e-03 -2.621 -2.733 -0.112 9.94
|
||||
KSO4- 1.472e-04 1.169e-04 -3.832 -3.932 -0.100 (0)
|
||||
Mg 4.540e-03
|
||||
MgSO4 2.377e-03 2.418e-03 -2.624 -2.617 0.007 6.77
|
||||
Mg+2 2.096e-03 8.665e-04 -2.679 -3.062 -0.384 -22.22
|
||||
MgHCO3+ 6.518e-05 5.114e-05 -4.186 -4.291 -0.105 6.21
|
||||
MgSO4 2.378e-03 2.419e-03 -2.624 -2.616 0.007 6.77
|
||||
Mg+2 2.095e-03 8.660e-04 -2.679 -3.062 -0.384 -22.15
|
||||
MgHCO3+ 6.579e-05 5.112e-05 -4.182 -4.291 -0.110 6.21
|
||||
MgCO3 1.624e-06 1.652e-06 -5.789 -5.782 0.007 -17.09
|
||||
MgOH+ 3.422e-07 2.685e-07 -6.466 -6.571 -0.105 (0)
|
||||
MgOH+ 3.331e-07 2.683e-07 -6.477 -6.571 -0.094 (0)
|
||||
Na 3.189e-02
|
||||
Na+ 3.091e-02 2.433e-02 -1.510 -1.614 -0.104 0.16
|
||||
NaSO4- 9.615e-04 7.544e-04 -3.017 -3.122 -0.105 25.82
|
||||
NaHCO3 1.359e-05 1.382e-05 -4.867 -4.859 0.007 33.01
|
||||
NaCO3- 3.523e-06 2.764e-06 -5.453 -5.558 -0.105 -0.91
|
||||
NaOH 1.102e-18 1.121e-18 -17.958 -17.950 0.007 (0)
|
||||
Na+ 3.092e-02 2.434e-02 -1.510 -1.614 -0.104 0.18
|
||||
NaSO4- 9.512e-04 7.552e-04 -3.022 -3.122 -0.100 25.83
|
||||
NaHCO3 1.360e-05 1.383e-05 -4.867 -4.859 0.007 33.01
|
||||
NaCO3- 3.484e-06 2.766e-06 -5.458 -5.558 -0.100 -0.91
|
||||
O(0) 0.000e+00
|
||||
O2 0.000e+00 0.000e+00 -63.070 -63.062 0.007 32.51
|
||||
S(-2) 2.600e-04
|
||||
HS- 1.483e-04 1.143e-04 -3.829 -3.942 -0.113 21.39
|
||||
H2S 1.111e-04 1.130e-04 -3.954 -3.947 0.007 37.26
|
||||
Fe(HS)2 2.820e-07 2.868e-07 -6.550 -6.542 0.007 (0)
|
||||
Fe(HS)3- 4.549e-09 3.569e-09 -8.342 -8.447 -0.105 (0)
|
||||
Fe(HS)3- 4.548e-09 3.569e-09 -8.342 -8.447 -0.105 (0)
|
||||
S-2 1.457e-09 5.656e-10 -8.837 -9.247 -0.411 (0)
|
||||
S(6) 1.986e-02
|
||||
SO4-2 1.296e-02 4.997e-03 -1.888 -2.301 -0.414 15.11
|
||||
CaSO4 3.415e-03 3.474e-03 -2.467 -2.459 0.007 8.42
|
||||
MgSO4 2.377e-03 2.418e-03 -2.624 -2.617 0.007 6.77
|
||||
NaSO4- 9.615e-04 7.544e-04 -3.017 -3.122 -0.105 25.82
|
||||
KSO4- 1.488e-04 1.167e-04 -3.827 -3.933 -0.105 (0)
|
||||
HSO4- 3.879e-07 3.044e-07 -6.411 -6.517 -0.105 36.61
|
||||
FeSO4 3.988e-08 4.057e-08 -7.399 -7.392 0.007 (0)
|
||||
CaHSO4+ 1.416e-08 1.111e-08 -7.849 -7.954 -0.105 (0)
|
||||
FeHSO4+ 1.150e-13 9.021e-14 -12.939 -13.045 -0.105 (0)
|
||||
SO4-2 1.297e-02 5.000e-03 -1.887 -2.301 -0.414 15.14
|
||||
CaSO4 3.417e-03 3.476e-03 -2.466 -2.459 0.007 8.42
|
||||
MgSO4 2.378e-03 2.419e-03 -2.624 -2.616 0.007 6.77
|
||||
NaSO4- 9.512e-04 7.552e-04 -3.022 -3.122 -0.100 25.83
|
||||
KSO4- 1.472e-04 1.169e-04 -3.832 -3.932 -0.100 (0)
|
||||
HSO4- 3.888e-07 3.046e-07 -6.410 -6.516 -0.106 36.61
|
||||
FeSO4 3.990e-08 4.059e-08 -7.399 -7.392 0.007 (0)
|
||||
CaHSO4+ 1.417e-08 1.112e-08 -7.849 -7.954 -0.105 (0)
|
||||
FeHSO4+ 1.150e-13 9.026e-14 -12.939 -13.045 -0.105 (0)
|
||||
|
||||
------------------------------Saturation indices-------------------------------
|
||||
|
||||
@ -348,7 +350,7 @@ S(6) 1.986e-02
|
||||
CO2(g) -0.95 -2.74 -1.79 CO2
|
||||
Dolomite 0.39 -17.49 -17.87 CaMg(CO3)2
|
||||
FeS(ppt) -1.03 -4.94 -3.92 FeS
|
||||
Gypsum -0.16 -4.82 -4.67 CaSO4:2H2O
|
||||
Gypsum -0.15 -4.82 -4.67 CaSO4:2H2O
|
||||
H2(g) -6.08 -9.22 -3.14 H2
|
||||
H2O(g) -0.65 -0.00 0.65 H2O
|
||||
H2S(g) -2.62 -10.55 -7.94 H2S
|
||||
@ -403,7 +405,7 @@ Solution 2: Mysse
|
||||
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) 1.183e-09 + 0.000e+00 = 1.183e-09
|
||||
H(0) 1.182e-09 + 0.000e+00 = 1.182e-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 + -1.260e-03 = 3.063e-02
|
||||
@ -419,8 +421,8 @@ Solution 2: Mysse
|
||||
Isotopic composition of phases:
|
||||
13C Dolomite 3 + 0 = 3
|
||||
13C Calcite -1.5 + 0 = -1.5
|
||||
34S Anhydrite 13.5 + -0.653942 = 12.8461
|
||||
13C CH2O -25 + 3.58691 = -21.4131
|
||||
34S Anhydrite 13.5 + -0.654266 = 12.8457
|
||||
13C CH2O -25 + 3.58938 = -21.4106
|
||||
34S Pyrite -22 + 2 = -20
|
||||
|
||||
Solution fractions: Minimum Maximum
|
||||
@ -431,17 +433,17 @@ 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 2.077e-02 2.348e-02 CaSO4
|
||||
CH2O 4.141e-03 3.006e-03 5.277e-03 CH2O
|
||||
Goethite 9.652e-04 6.540e-04 1.276e-03 FeOOH
|
||||
Pyrite -9.658e-04 -1.275e-03 -6.560e-04 FeS2
|
||||
CH2O 4.142e-03 3.006e-03 5.278e-03 CH2O
|
||||
Goethite 9.653e-04 6.541e-04 1.276e-03 FeOOH
|
||||
Pyrite -9.659e-04 -1.276e-03 -6.561e-04 FeS2
|
||||
MgX2 -7.650e-03 -8.574e-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) 9.652e-04
|
||||
H(0) -1.183e-09
|
||||
Fe(3) 9.653e-04
|
||||
H(0) -1.182e-09
|
||||
S(-2) -2.192e-03
|
||||
|
||||
Sum of residuals (epsilons in documentation): 2.686e+00
|
||||
@ -479,15 +481,15 @@ Solution 1: Recharge number 3
|
||||
Solution 2: Mysse
|
||||
|
||||
Input Delta Input+Delta
|
||||
pH 6.610e+00 + 5.897e-02 = 6.669e+00
|
||||
pH 6.610e+00 + 5.901e-02 = 6.669e+00
|
||||
Alkalinity 5.255e-03 + 0.000e+00 = 5.255e-03
|
||||
C(-4) 0.000e+00 + 0.000e+00 = 0.000e+00
|
||||
C(4) 6.870e-03 + -2.600e-04 = 6.610e-03
|
||||
C(4) 6.870e-03 + -2.602e-04 = 6.610e-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) 1.183e-09 + 0.000e+00 = 1.183e-09
|
||||
H(0) 1.182e-09 + 0.000e+00 = 1.182e-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 + -1.260e-03 = 3.063e-02
|
||||
@ -503,7 +505,7 @@ Solution 2: Mysse
|
||||
Isotopic composition of phases:
|
||||
13C Dolomite 3 + 2 = 5
|
||||
13C Calcite -1.5 + -1 = -2.5
|
||||
34S Anhydrite 13.5 + -0.119664 = 13.3803
|
||||
34S Anhydrite 13.5 + -0.119632 = 13.3804
|
||||
13C CH2O -25 + 5 = -20
|
||||
34S Pyrite -22 + 2 = -20
|
||||
|
||||
@ -513,11 +515,11 @@ Solution fractions: Minimum Maximum
|
||||
|
||||
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
|
||||
Calcite -1.214e-02 -1.333e-02 -1.099e-02 CaCO3
|
||||
Anhydrite 2.252e-02 2.077e-02 2.297e-02 CaSO4
|
||||
CH2O 3.455e-03 3.006e-03 4.297e-03 CH2O
|
||||
Goethite 7.820e-04 6.540e-04 1.015e-03 FeOOH
|
||||
Pyrite -7.826e-04 -1.014e-03 -6.560e-04 FeS2
|
||||
Goethite 7.820e-04 6.541e-04 1.015e-03 FeOOH
|
||||
Pyrite -7.826e-04 -1.014e-03 -6.561e-04 FeS2
|
||||
Ca.75Mg.25X2 -7.650e-03 -8.574e-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
|
||||
@ -525,11 +527,11 @@ Phase mole transfers: Minimum Maximum
|
||||
|
||||
Redox mole transfers:
|
||||
Fe(3) 7.820e-04
|
||||
H(0) -1.183e-09
|
||||
H(0) -1.182e-09
|
||||
S(-2) -1.825e-03
|
||||
|
||||
Sum of residuals (epsilons in documentation): 4.216e+00
|
||||
Sum of delta/uncertainty limit: 8.253e+00
|
||||
Sum of residuals (epsilons in documentation): 4.218e+00
|
||||
Sum of delta/uncertainty limit: 8.254e+00
|
||||
Maximum fractional error in element concentration: 5.000e-02
|
||||
|
||||
Model contains minimum number of phases.
|
||||
@ -550,7 +552,7 @@ End of simulation.
|
||||
Reading input data for simulation 2.
|
||||
------------------------------------
|
||||
|
||||
------------------------------
|
||||
End of Run after 0.14 Seconds.
|
||||
------------------------------
|
||||
-----------------------------
|
||||
End of Run after 0.2 Seconds.
|
||||
-----------------------------
|
||||
|
||||
|
||||
2
ex19.out
2
ex19.out
@ -69,6 +69,6 @@ Reading input data for simulation 1.
|
||||
PRINT
|
||||
reset false
|
||||
------------------------------
|
||||
End of Run after 0.03 Seconds.
|
||||
End of Run after 0.04 Seconds.
|
||||
------------------------------
|
||||
|
||||
|
||||
@ -22,6 +22,6 @@ Reading input data for simulation 1.
|
||||
PRINT
|
||||
reset false
|
||||
------------------------------
|
||||
End of Run after 0.13 Seconds.
|
||||
End of Run after 0.19 Seconds.
|
||||
------------------------------
|
||||
|
||||
|
||||
102
ex2.sel
102
ex2.sel
@ -1,53 +1,53 @@
|
||||
sim state soln dist_x time step pH pe temp si_anhydrite si_gypsum
|
||||
1 i_soln 1 -99 -99 -99 7 4 25.000 -999.9990 -999.9990
|
||||
1 react 1 -99 0 1 7.06668 -1.23764 25.000 -0.3388 -0.0000
|
||||
1 react 1 -99 0 2 7.05291 -1.32727 26.000 -0.3275 -0.0000
|
||||
1 react 1 -99 0 3 7.03925 -1.31303 27.000 -0.3162 -0.0000
|
||||
1 react 1 -99 0 4 7.0257 -1.30089 28.000 -0.3050 -0.0000
|
||||
1 react 1 -99 0 5 7.01227 -1.28971 29.000 -0.2938 -0.0000
|
||||
1 react 1 -99 0 6 6.99895 -1.1796 30.000 -0.2827 0.0000
|
||||
1 react 1 -99 0 7 6.98576 -1.26739 31.000 -0.2716 -0.0000
|
||||
1 react 1 -99 0 8 6.97269 -1.25691 32.000 -0.2605 -0.0000
|
||||
1 react 1 -99 0 9 6.95976 -1.24596 33.000 -0.2495 0.0000
|
||||
1 react 1 -99 0 10 6.94696 -1.23499 34.000 -0.2385 0.0000
|
||||
1 react 1 -99 0 11 6.93429 -1.22436 35.000 -0.2275 0.0000
|
||||
1 react 1 -99 0 12 6.92177 -1.21404 36.000 -0.2166 0.0000
|
||||
1 react 1 -99 0 13 6.90938 -1.20401 37.000 -0.2058 -0.0000
|
||||
1 react 1 -99 0 14 6.89713 -1.19293 38.000 -0.1949 0.0000
|
||||
1 react 1 -99 0 15 6.88503 -1.18323 39.000 -0.1841 -0.0000
|
||||
1 react 1 -99 0 16 6.87307 -1.17313 40.000 -0.1734 0.0000
|
||||
1 react 1 -99 0 17 6.86125 -1.16322 41.000 -0.1627 0.0000
|
||||
1 react 1 -99 0 18 6.84958 -1.15308 42.000 -0.1520 -0.0000
|
||||
1 react 1 -99 0 19 6.83806 -1.14954 43.000 -0.1413 -0.0000
|
||||
1 react 1 -99 0 20 6.82668 -1.13479 44.000 -0.1307 -0.0000
|
||||
1 react 1 -99 0 21 6.81544 -1.12337 45.000 -0.1202 -0.0000
|
||||
1 react 1 -99 0 22 6.80436 -1.11358 46.000 -0.1096 0.0000
|
||||
1 react 1 -99 0 23 6.79342 -1.10682 47.000 -0.0991 -0.0000
|
||||
1 react 1 -99 0 24 6.78263 -1.09805 48.000 -0.0887 -0.0000
|
||||
1 react 1 -99 0 25 6.77198 -0.789324 49.000 -0.0782 -0.0000
|
||||
1 react 1 -99 0 26 6.76148 9.53194 50.000 -0.0678 -0.0000
|
||||
1 react 1 -99 0 27 6.75112 -1.07601 51.000 -0.0575 0.0000
|
||||
1 react 1 -99 0 28 6.74091 -1.07353 52.000 -0.0471 0.0000
|
||||
1 react 1 -99 0 29 6.73084 9.35295 53.000 -0.0368 -0.0000
|
||||
1 react 1 -99 0 30 6.72092 -1.05052 54.000 -0.0266 0.0000
|
||||
1 react 1 -99 0 31 6.71114 -1.03927 55.000 -0.0164 -0.0000
|
||||
1 react 1 -99 0 32 6.70151 -1.03067 56.000 -0.0062 -0.0000
|
||||
1 react 1 -99 0 33 6.6915 -1.00726 57.000 0.0000 -0.0040
|
||||
1 react 1 -99 0 34 6.68085 -0.997484 58.000 0.0000 -0.0141
|
||||
1 react 1 -99 0 35 6.67032 -0.989336 59.000 0.0000 -0.0242
|
||||
1 react 1 -99 0 36 6.65991 -0.980851 60.000 0.0000 -0.0343
|
||||
1 react 1 -99 0 37 6.64962 -0.971528 61.000 0.0000 -0.0443
|
||||
1 react 1 -99 0 38 6.63945 -0.964481 62.000 0.0000 -0.0543
|
||||
1 react 1 -99 0 39 6.62939 -0.95524 63.000 0.0000 -0.0642
|
||||
1 react 1 -99 0 40 6.61946 -0.946418 64.000 0.0000 -0.0741
|
||||
1 react 1 -99 0 41 6.60964 -0.938352 65.000 0.0000 -0.0840
|
||||
1 react 1 -99 0 42 6.59993 -0.929742 66.000 0.0000 -0.0939
|
||||
1 react 1 -99 0 43 6.59035 -0.922106 67.000 0.0000 -0.1037
|
||||
1 react 1 -99 0 44 6.58087 -0.915602 68.000 0.0000 -0.1135
|
||||
1 react 1 -99 0 45 6.57152 -0.907286 69.000 0.0000 -0.1233
|
||||
1 react 1 -99 0 46 6.56227 -0.899442 70.000 0.0000 -0.1330
|
||||
1 react 1 -99 0 47 6.55314 -0.891857 71.000 0.0000 -0.1428
|
||||
1 react 1 -99 0 48 6.54412 -0.886708 72.000 0.0000 -0.1524
|
||||
1 react 1 -99 0 49 6.53521 -0.881125 73.000 0.0000 -0.1621
|
||||
1 react 1 -99 0 50 6.52641 -0.873221 74.000 0.0000 -0.1717
|
||||
1 react 1 -99 0 51 6.51772 -0.865716 75.000 0.0000 -0.1813
|
||||
1 react 1 -99 0 1 7.06689 -1.40789 25.000 -0.3388 0.0000
|
||||
1 react 1 -99 0 2 7.05311 -1.32673 26.000 -0.3275 -0.0000
|
||||
1 react 1 -99 0 3 7.03943 -1.31173 27.000 -0.3162 0.0000
|
||||
1 react 1 -99 0 4 7.02587 -1.30021 28.000 -0.3050 -0.0000
|
||||
1 react 1 -99 0 5 7.01242 -1.2899 29.000 -0.2938 0.0000
|
||||
1 react 1 -99 0 6 6.99909 -1.27955 30.000 -0.2827 -0.0000
|
||||
1 react 1 -99 0 7 6.98588 -1.26711 31.000 -0.2716 -0.0000
|
||||
1 react 1 -99 0 8 6.97281 -1.25791 32.000 -0.2605 -0.0000
|
||||
1 react 1 -99 0 9 6.95986 -1.2453 33.000 -0.2495 -0.0000
|
||||
1 react 1 -99 0 10 6.94705 -1.23379 34.000 -0.2385 0.0000
|
||||
1 react 1 -99 0 11 6.93437 -1.22503 35.000 -0.2275 -0.0000
|
||||
1 react 1 -99 0 12 6.92184 -1.21362 36.000 -0.2166 0.0000
|
||||
1 react 1 -99 0 13 6.90944 -1.20317 37.000 -0.2058 -0.0000
|
||||
1 react 1 -99 0 14 6.89718 -1.19281 38.000 -0.1949 -0.0000
|
||||
1 react 1 -99 0 15 6.88507 -1.18284 39.000 -0.1841 -0.0000
|
||||
1 react 1 -99 0 16 6.8731 -1.17339 40.000 -0.1734 0.0000
|
||||
1 react 1 -99 0 17 6.86128 -1.16284 41.000 -0.1627 0.0000
|
||||
1 react 1 -99 0 18 6.8496 -1.15363 42.000 -0.1520 -0.0000
|
||||
1 react 1 -99 0 19 6.83807 -1.14474 43.000 -0.1413 0.0000
|
||||
1 react 1 -99 0 20 6.82668 -1.13473 44.000 -0.1307 -0.0000
|
||||
1 react 1 -99 0 21 6.81544 -1.1248 45.000 -0.1202 -0.0000
|
||||
1 react 1 -99 0 22 6.80435 -1.11744 46.000 -0.1096 -0.0000
|
||||
1 react 1 -99 0 23 6.7934 -1.10764 47.000 -0.0991 -0.0000
|
||||
1 react 1 -99 0 24 6.7826 -1.09497 48.000 -0.0887 0.0000
|
||||
1 react 1 -99 0 25 6.77194 -1.0877 49.000 -0.0782 -0.0000
|
||||
1 react 1 -99 0 26 6.76144 9.53198 50.000 -0.0678 0.0000
|
||||
1 react 1 -99 0 27 6.75107 -1.07083 51.000 -0.0575 -0.0000
|
||||
1 react 1 -99 0 28 6.74086 -1.06337 52.000 -0.0471 -0.0000
|
||||
1 react 1 -99 0 29 6.73078 9.35301 53.000 -0.0368 0.0000
|
||||
1 react 1 -99 0 30 6.72086 9.29391 54.000 -0.0266 -0.0000
|
||||
1 react 1 -99 0 31 6.71107 -2.47242 55.000 -0.0164 -0.0000
|
||||
1 react 1 -99 0 32 6.70143 -1.03107 56.000 -0.0062 -0.0000
|
||||
1 react 1 -99 0 33 6.69141 -1.07938 57.000 0.0000 -0.0040
|
||||
1 react 1 -99 0 34 6.68075 -1.00077 58.000 0.0000 -0.0141
|
||||
1 react 1 -99 0 35 6.67021 -0.99245 59.000 0.0000 -0.0242
|
||||
1 react 1 -99 0 36 6.65979 -0.98348 60.000 0.0000 -0.0343
|
||||
1 react 1 -99 0 37 6.64949 -0.872765 61.000 0.0000 -0.0443
|
||||
1 react 1 -99 0 38 6.63931 -0.864622 62.000 0.0000 -0.0543
|
||||
1 react 1 -99 0 39 6.62925 -0.958498 63.000 0.0000 -0.0642
|
||||
1 react 1 -99 0 40 6.61931 -0.949686 64.000 0.0000 -0.0741
|
||||
1 react 1 -99 0 41 6.60948 -0.937962 65.000 0.0000 -0.0840
|
||||
1 react 1 -99 0 42 6.59977 -0.930616 66.000 0.0000 -0.0939
|
||||
1 react 1 -99 0 43 6.59017 -0.921426 67.000 0.0000 -0.1037
|
||||
1 react 1 -99 0 44 6.58069 -0.917724 68.000 0.0000 -0.1135
|
||||
1 react 1 -99 0 45 6.57133 -0.909934 69.000 0.0000 -0.1233
|
||||
1 react 1 -99 0 46 6.56208 -0.902873 70.000 0.0000 -0.1330
|
||||
1 react 1 -99 0 47 6.55294 -0.79319 71.000 0.0000 -0.1428
|
||||
1 react 1 -99 0 48 6.54391 -0.889812 72.000 0.0000 -0.1524
|
||||
1 react 1 -99 0 49 6.535 -0.953583 73.000 0.0000 -0.1621
|
||||
1 react 1 -99 0 50 6.5262 -0.769715 74.000 0.0000 -0.1717
|
||||
1 react 1 -99 0 51 6.5175 -0.762826 75.000 0.0000 -0.1813
|
||||
|
||||
70
ex20a.out
70
ex20a.out
@ -216,7 +216,7 @@ Calcite 2.54e-07
|
||||
|
||||
Isotope Ratio Ratio Input Units
|
||||
|
||||
R(D) 1.55760e-04 -1.2181e-12 permil
|
||||
R(D) 1.55760e-04 -1.9142e-12 permil
|
||||
R(18O) 2.00520e-03 -3.9446e-07 permil
|
||||
R(13C) 1.11802e-02 -0.00026756 permil
|
||||
R(D) H2O(l) 1.55760e-04 1.138e-05 permil
|
||||
@ -248,15 +248,15 @@ Alpha D OH-/H2O(l) 0.23812 -1435 -1435
|
||||
Alpha 18O OH-/H2O(l) 0.96293 -37.777 -37.777
|
||||
Alpha D H3O+/H2O(l) 1.0417 40.82 40.82
|
||||
Alpha 18O H3O+/H2O(l) 1.0231 22.86 22.86
|
||||
Alpha D H2(aq)/H2O(l) 1 -1.8874e-12 0
|
||||
Alpha D H2(aq)/H2O(l) 1 -1.4433e-12 0
|
||||
Alpha 18O CO2(aq)/H2O(l) 1.0421 41.223 41.223
|
||||
Alpha D HCO3-/H2O(l) 1 2.2593e-09 0
|
||||
Alpha 18O HCO3-/H2O(l) 1 2.6645e-12 0
|
||||
Alpha D HCO3-/H2O(l) 1 2.256e-09 0
|
||||
Alpha 18O HCO3-/H2O(l) 1 -4.4409e-13 0
|
||||
Alpha 13C HCO3-/CO2(aq) 1.0087 8.6622 8.6622
|
||||
Alpha 18O CO3-2/H2O(l) 1 -1.6692e-09 0
|
||||
Alpha 18O CO3-2/H2O(l) 1 -1.6831e-09 0
|
||||
Alpha 13C CO3-2/CO2(aq) 1.0073 7.2261 7.2261
|
||||
Alpha D CH4(aq)/H2O(l) 1 -1.0769e-11 0
|
||||
Alpha 13C CH4(aq)/CO2(aq) 1 -6.5503e-12 0
|
||||
Alpha D CH4(aq)/H2O(l) 1 -1.0436e-11 0
|
||||
Alpha 13C CH4(aq)/CO2(aq) 1 -4.6629e-12 0
|
||||
Alpha 18O Calcite/H2O(l) 1.0288 28.383 28.383
|
||||
Alpha 13C Calcite/CO2(aq) 1.0107 10.641 10.641
|
||||
|
||||
@ -274,7 +274,7 @@ Alpha 13C Calcite/CO2(aq) 1.0107 10.641 10.641
|
||||
----------------------------Description of solution----------------------------
|
||||
|
||||
pH = 8.199 Charge balance
|
||||
pe = -2.748 Adjusted to redox equilibrium
|
||||
pe = -2.749 Adjusted to redox equilibrium
|
||||
Activity of water = 0.998
|
||||
Ionic strength = 2.301e-03
|
||||
Mass of water (kg) = 9.968e-01
|
||||
@ -283,7 +283,7 @@ Alpha 13C Calcite/CO2(aq) 1.0107 10.641 10.641
|
||||
Temperature (deg C) = 25.00
|
||||
Electrical balance (eq) = 1.667e-13
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
|
||||
Iterations = 30
|
||||
Iterations = 34
|
||||
Total H = 1.109971e+02
|
||||
Total O = 5.540110e+01
|
||||
|
||||
@ -295,9 +295,9 @@ Alpha 13C Calcite/CO2(aq) 1.0107 10.641 10.641
|
||||
OH- 1.661e-06 1.575e-06 -5.780 -5.803 -0.023 (0)
|
||||
H3O+ 6.648e-09 6.328e-09 -8.177 -8.199 -0.021 (0)
|
||||
H2O 5.556e+01 9.977e-01 1.745 -0.001 0.000 18.07
|
||||
C(-4) 1.626e-24
|
||||
CH4 1.625e-24 1.625e-24 -23.789 -23.789 0.000 (0)
|
||||
CH3D 1.012e-27 1.013e-27 -26.995 -26.995 0.000 (0)
|
||||
C(-4) 1.645e-24
|
||||
CH4 1.644e-24 1.645e-24 -23.784 -23.784 0.000 (0)
|
||||
CH3D 1.025e-27 1.025e-27 -26.989 -26.989 0.000 (0)
|
||||
C(4) 1.984e-03
|
||||
HCO3- 1.916e-03 1.817e-03 -2.718 -2.741 -0.023 (0)
|
||||
CO2 2.597e-05 2.598e-05 -4.586 -4.585 0.000 (0)
|
||||
@ -335,17 +335,17 @@ Ca 3.098e-04
|
||||
CaHC[18O]O2+ 1.186e-08 1.126e-08 -7.926 -7.948 -0.023 (0)
|
||||
CaDCO3+ 9.216e-10 8.750e-10 -9.035 -9.058 -0.023 (0)
|
||||
Ca[13C]O2[18O] 3.672e-10 3.674e-10 -9.435 -9.435 0.000 (0)
|
||||
D(0) 2.782e-18
|
||||
HD 2.781e-18 2.783e-18 -17.556 -17.555 0.000 (0)
|
||||
D2 2.166e-22 2.167e-22 -21.664 -21.664 0.000 (0)
|
||||
D(0) 2.790e-18
|
||||
HD 2.790e-18 2.791e-18 -17.554 -17.554 0.000 (0)
|
||||
D2 2.173e-22 2.174e-22 -21.663 -21.663 0.000 (0)
|
||||
D(1) 1.734e-02
|
||||
HDO 1.731e-02 3.108e-04 -1.762 -3.507 -1.746 (0)
|
||||
HD[18O] 3.470e-05 6.233e-07 -4.460 -6.205 -1.746 (0)
|
||||
D2O 1.348e-06 2.421e-08 -5.870 -7.616 -1.746 (0)
|
||||
DCO3- 2.985e-07 2.831e-07 -6.525 -6.548 -0.023 (0)
|
||||
H(0) 1.786e-14
|
||||
H2 8.929e-15 8.933e-15 -14.049 -14.049 0.000 (0)
|
||||
HD 2.781e-18 2.783e-18 -17.556 -17.555 0.000 (0)
|
||||
H(0) 1.792e-14
|
||||
H2 8.956e-15 8.961e-15 -14.048 -14.048 0.000 (0)
|
||||
HD 2.790e-18 2.791e-18 -17.554 -17.554 0.000 (0)
|
||||
Na 1.385e-03
|
||||
Na+ 1.383e-03 1.312e-03 -2.859 -2.882 -0.023 (0)
|
||||
NaHCO3 1.340e-06 1.341e-06 -5.873 -5.873 0.000 (0)
|
||||
@ -357,11 +357,11 @@ Na 1.385e-03
|
||||
NaHC[18O]O2 2.687e-09 2.689e-09 -8.571 -8.570 0.000 (0)
|
||||
NaCO2[18O]- 2.083e-09 1.976e-09 -8.681 -8.704 -0.023 (0)
|
||||
O(0) 0.000e+00
|
||||
O2 0.000e+00 0.000e+00 -64.284 -64.284 0.000 (0)
|
||||
O[18O] 0.000e+00 0.000e+00 -66.681 -66.681 0.000 (0)
|
||||
[13C](-4) 1.802e-26
|
||||
[13C]H4 1.801e-26 1.802e-26 -25.745 -25.744 0.000 (0)
|
||||
[13C]H3D 1.122e-29 1.123e-29 -28.950 -28.950 0.000 (0)
|
||||
O2 0.000e+00 0.000e+00 -64.287 -64.287 0.000 (0)
|
||||
O[18O] 0.000e+00 0.000e+00 -66.684 -66.683 0.000 (0)
|
||||
[13C](-4) 1.824e-26
|
||||
[13C]H4 1.823e-26 1.824e-26 -25.739 -25.739 0.000 (0)
|
||||
[13C]H3D 1.136e-29 1.136e-29 -28.945 -28.945 0.000 (0)
|
||||
[13C](4) 2.218e-05
|
||||
H[13C]O3- 2.143e-05 2.032e-05 -4.669 -4.692 -0.023 (0)
|
||||
[13C]O2 2.878e-07 2.880e-07 -6.541 -6.541 0.000 (0)
|
||||
@ -394,8 +394,8 @@ O(0) 0.000e+00
|
||||
HCO[18O]O- 3.842e-06 3.644e-06 -5.415 -5.438 -0.023 (0)
|
||||
HC[18O]O2- 3.842e-06 3.644e-06 -5.415 -5.438 -0.023 (0)
|
||||
[18O](0) 0.000e+00
|
||||
O[18O] 0.000e+00 0.000e+00 -66.681 -66.681 0.000 (0)
|
||||
[18O]2 0.000e+00 0.000e+00 -69.680 -69.680 0.000 (0)
|
||||
O[18O] 0.000e+00 0.000e+00 -66.684 -66.683 0.000 (0)
|
||||
[18O]2 0.000e+00 0.000e+00 -69.683 -69.682 0.000 (0)
|
||||
|
||||
------------------------------Saturation indices-------------------------------
|
||||
|
||||
@ -403,10 +403,10 @@ O(0) 0.000e+00
|
||||
|
||||
[13C][18O]2(g) -10.43 -11.94 -1.50 [13C][18O]2
|
||||
[13C]D4(g) -38.11 -40.97 -2.86 [13C]D4
|
||||
[13C]H2D2(g) -29.72 -33.36 -3.64 [13C]H2D2
|
||||
[13C]H3D(g) -26.09 -29.55 -3.46 [13C]H3D
|
||||
[13C]H2D2(g) -29.72 -33.35 -3.64 [13C]H2D2
|
||||
[13C]H3D(g) -26.08 -29.55 -3.46 [13C]H3D
|
||||
[13C]H4(g) -22.88 -25.74 -2.86 [13C]H4
|
||||
[13C]HD3(g) -33.70 -37.17 -3.46 [13C]HD3
|
||||
[13C]HD3(g) -33.70 -37.16 -3.46 [13C]HD3
|
||||
[13C]O2(g) -5.07 -6.54 -1.47 [13C]O2
|
||||
[13C]O[18O](g) -7.45 -9.24 -1.79 [13C]O[18O]
|
||||
[18O]2(g) -67.39 -69.68 -2.29 [18O]2
|
||||
@ -419,11 +419,11 @@ O(0) 0.000e+00
|
||||
CaCO2[18O](s) -2.22 5.50 7.71 CaCO2[18O]
|
||||
CaCO[18O]2(s) -4.90 2.80 7.70 CaCO[18O]2
|
||||
Calcite -0.01 -8.49 -8.48 CaCO3
|
||||
CD4(g) -36.16 -39.02 -2.86 CD4
|
||||
CH2D2(g) -27.77 -31.40 -3.64 CH2D2
|
||||
CH3D(g) -24.13 -27.60 -3.46 CH3D
|
||||
CH4(g) -20.93 -23.79 -2.86 CH4
|
||||
CHD3(g) -31.75 -35.21 -3.46 CHD3
|
||||
CD4(g) -36.15 -39.01 -2.86 CD4
|
||||
CH2D2(g) -27.76 -31.40 -3.64 CH2D2
|
||||
CH3D(g) -24.13 -27.59 -3.46 CH3D
|
||||
CH4(g) -20.92 -23.78 -2.86 CH4
|
||||
CHD3(g) -31.74 -35.21 -3.46 CHD3
|
||||
CO2(g) -3.12 -4.59 -1.47 CO2
|
||||
CO[18O](g) -5.50 -7.28 -1.79 CO[18O]
|
||||
D2(g) -18.51 -21.66 -3.15 D2
|
||||
@ -432,10 +432,10 @@ O(0) 0.000e+00
|
||||
H2(g) -10.90 -14.05 -3.15 H2
|
||||
H2[18O](g) -4.21 -2.70 1.51 H2[18O]
|
||||
H2O(g) -1.51 -0.00 1.51 H2O
|
||||
HD(g) -14.41 -17.86 -3.45 HD
|
||||
HD(g) -14.40 -17.86 -3.45 HD
|
||||
HD[18O](g) -7.75 -6.51 1.25 HD[18O]
|
||||
HDO(g) -5.05 -3.81 1.24 HDO
|
||||
O2(g) -61.39 -64.28 -2.89 O2
|
||||
O2(g) -61.39 -64.29 -2.89 O2
|
||||
O[18O](g) -64.09 -66.98 -2.89 O[18O]
|
||||
|
||||
|
||||
|
||||
4
ex21
4
ex21
@ -37,7 +37,7 @@ SOLUTION 0-2 column with only cell 1, two boundary solutions 0 and 2.
|
||||
Na 1; Cl 1
|
||||
END
|
||||
|
||||
KNOBS; -tolerance 1e-20; -diagonal_scale true # because of low concentrations
|
||||
KNOBS; -diagonal_scale true # -tolerance 1e-20 # because of low concentrations
|
||||
|
||||
SOLUTION 3 tracer solution
|
||||
pH 7.6; pe 14 O2(g) -1.0; temp 23
|
||||
@ -331,4 +331,4 @@ END
|
||||
PRINT
|
||||
-selected_out false; -status false
|
||||
INCLUDE$ radial
|
||||
END
|
||||
END
|
||||
|
||||
160
ex21.out
160
ex21.out
@ -1,5 +1,5 @@
|
||||
Input file: ../examples/ex21_radial
|
||||
Output file: ex21_radial.out
|
||||
Input file: ../examples/ex21
|
||||
Output file: ex21.out
|
||||
Database file: ../database/phreeqc.dat
|
||||
|
||||
------------------
|
||||
@ -19,8 +19,7 @@ Reading data base.
|
||||
Reading input data for simulation 1.
|
||||
------------------------------------
|
||||
|
||||
TITLE Diffusion through Opalinus Clay in a radial diffusion cell, Appelo, Van Loon and Wersin,
|
||||
2010, GCA 74, 1201
|
||||
TITLE Diffusion through Opalinus Clay in a radial diffusion cell, Appelo, Van Loon and Wersin, 2010, GCA 74, 1201
|
||||
SOLUTION_MASTER_SPECIES
|
||||
Hto Hto 0.0 20 20
|
||||
Na_tr Na_tr+ 0.0 22 22
|
||||
@ -87,8 +86,7 @@ Reading input data for simulation 1.
|
||||
TITLE
|
||||
-----
|
||||
|
||||
Diffusion through Opalinus Clay in a radial diffusion cell, Appelo, Van Loon and Wersin,
|
||||
2010, GCA 74, 1201
|
||||
Diffusion through Opalinus Clay in a radial diffusion cell, Appelo, Van Loon and Wersin, 2010, GCA 74, 1201
|
||||
|
||||
-------------------------------------------
|
||||
Beginning of initial solution calculations.
|
||||
@ -109,6 +107,7 @@ Initial solution 0. column with only cell 1, two boundary solutions 0 and 2.
|
||||
pe = 4.000
|
||||
Specific Conductance (uS/cm, 25 oC) = 123
|
||||
Density (g/cm3) = 0.99708
|
||||
Volume (L) = 1.00298
|
||||
Activity of water = 1.000
|
||||
Ionic strength = 1.000e-03
|
||||
Mass of water (kg) = 1.000e+00
|
||||
@ -136,7 +135,6 @@ H(0) 1.416e-25
|
||||
H2 7.078e-26 7.079e-26 -25.150 -25.150 0.000 28.61
|
||||
Na 1.000e-03
|
||||
Na+ 1.000e-03 9.651e-04 -3.000 -3.015 -0.015 -1.20
|
||||
NaOH 9.670e-21 9.672e-21 -20.015 -20.014 0.000 (0)
|
||||
O(0) 0.000e+00
|
||||
O2 0.000e+00 0.000e+00 -42.080 -42.080 0.000 30.40
|
||||
|
||||
@ -159,7 +157,7 @@ Reading input data for simulation 2.
|
||||
------------------------------------
|
||||
|
||||
KNOBS
|
||||
diagonal_scale true #; -tolerance 1e-17 # if necessary, try lower tolereance
|
||||
diagonal_scale true # -tolerance 1e-20 # because of low concentrations
|
||||
SOLUTION 3 tracer solution
|
||||
pH 7.6
|
||||
pe 14 O2(g) -1.0
|
||||
@ -173,7 +171,7 @@ Reading input data for simulation 2.
|
||||
S(6) 14.1
|
||||
Fe(2) 0.0
|
||||
Alkalinity 0.476
|
||||
Hto 1.14e-6
|
||||
Hto 1.14e-6
|
||||
water 0.2
|
||||
SELECTED_OUTPUT
|
||||
file radial
|
||||
@ -231,7 +229,7 @@ Reading input data for simulation 2.
|
||||
540 sol$ = sol$ + nl$ + ' Cl 300' + sc$ +' S(6) 14.1' + sc$ +' Fe(2) 0.0' + sc$ +' Alkalinity 0.476'
|
||||
550 tracer_phases$ = nl$ + 'PHASES '
|
||||
560 tracer_phases$ = tracer_phases$ + nl$ + ' A_Hto' + nl$ + ' Hto = Hto' + sc$ +' log_k -15'
|
||||
570 tracer_phases$ = tracer_phases$ + nl$ + ' A_Na_tr' + nl$ + ' Na_trCl = Na_tr+ + Cl-' + sc$ +' log_k -14'
|
||||
570 tracer_phases$ = tracer_phases$ + nl$ + ' A_Na_tr' + nl$ + ' Na_trCl = Na_tr+ + Cl-' + sc$ + ' log_k -14'
|
||||
580 tracer_phases$ = tracer_phases$ + nl$ + ' A_Cl_tr' + nl$ + ' NaCl_tr = Na+ + Cl_tr-' + sc$ +' log_k -14'
|
||||
590 tracer_phases$ = tracer_phases$ + nl$ + ' A_Cs' + nl$ + ' CsCl = Cs+ + Cl-' + sc$ + ' log_k -13'
|
||||
600 DIM tracer_equi$(4)
|
||||
@ -349,9 +347,9 @@ Reading input data for simulation 2.
|
||||
2280 punch nl$ + ' 40 dt = get(1)'
|
||||
2290 A = 2 * pi * r_ext * height
|
||||
2300 i$ = TRIM(STR$(2 + i))
|
||||
2310 punch nl$ + ' 50 plot_xy days - dt / (2 * 3600 * 24), (a - get(' + i$ + ')) / dt /' + STR$(A) + ', color = Green, symbol = None'
|
||||
2310 punch nl$ + ' 50 plot_xy days - dt / (2 * 3600 * 24), (a - get(' + i$ + ')) / dt /' + STR$(A) +', color = Green, symbol = None'
|
||||
2320 punch nl$ + ' 60 put(a, ' + i$ + ')'
|
||||
2330 punch nl$ + ' 70 plot_xy days, equi("A_' + tracer$(tracer + i) + '"), y_axis = 2, color = Red, symbol = None'
|
||||
2330 punch nl$ + ' 70 plot_xy days, equi("A_' + tracer$(tracer + i) + '"), y_axis = 2, color = Red, symbol = None'
|
||||
2340 IF tracer < 3 THEN GOTO 2360
|
||||
2350 NEXT i
|
||||
2360 punch nl$ + 'END'
|
||||
@ -373,7 +371,7 @@ Reading input data for simulation 2.
|
||||
3040 punch nl$ + 'USER_GRAPH ' + TRIM(STR$(tracer + 4)) + ' Example 21' + nl$
|
||||
3050 punch nl$ + ' -chart_title "' + tracer$(tracer) + ' Concentration Profile: Filter1 | Clay | Filter2"'
|
||||
3060 REM punch nl$ + ' -plot_tsv_file + tracer$(tracer) + '_prof.tsv'
|
||||
3070 punch nl$ + ' -axis_scale x_axis 0 ' + TRIM(STR$((thickn_filter1 + thickn_clay + thickn_filter2) * 1e3))
|
||||
3070 punch nl$ + ' -axis_scale x_axis 0 ' + TRIM(STR$((thickn_filter1 + thickn_clay + thickn_filter2) * 1e3))
|
||||
3080 punch nl$ + ' -axis_scale y_axis ' + profile_y1$(tracer)
|
||||
3090 punch nl$ + ' -axis_scale sy_axis ' + profile_y2$(tracer)
|
||||
3100 punch nl$ + ' -axis_titles ' + '"DISTANCE, IN MILLIMETERS" "FREE PORE-WATER MOLALITY" "TOTAL MOLALITY"'
|
||||
@ -381,26 +379,26 @@ Reading input data for simulation 2.
|
||||
3120 punch nl$ + ' -plot_concentration_vs x'
|
||||
3130 punch nl$ + ' -initial_solutions true'
|
||||
3140 punch nl$ + ' 10 IF cell_no = 3 THEN xval = 0 ELSE xval = get(14)'
|
||||
3150 punch nl$ + ' 20 IF (' + TRIM(STR$(nfilt1)) + ' = 0 OR cell_no > ' + TRIM(STR$(nfilt1 + 3)) + ') THEN GOTO 60'
|
||||
3150 punch nl$ + ' 20 IF (' + TRIM(STR$(nfilt1)) + ' = 0 OR cell_no > ' + TRIM(STR$(nfilt1 + 3)) + ') THEN GOTO 60'
|
||||
3160 punch nl$ + ' 30 IF (cell_no = 4) THEN xval = xval + 0.5 * ' + TRIM(STR$(xf1))
|
||||
3170 punch nl$ + ' 40 IF (cell_no > 4 AND cell_no < ' + TRIM(STR$(nfilt1 + 4)) + ') THEN xval = xval + ' + TRIM(STR$(xf1))
|
||||
3170 punch nl$ + ' 40 IF (cell_no > 4 AND cell_no < ' + TRIM(STR$(nfilt1 + 4)) + ') THEN xval = xval + ' + TRIM(STR$(xf1))
|
||||
3180 punch nl$ + ' 50 GOTO 200'
|
||||
3190 punch nl$ + ' 60 IF (cell_no = ' + TRIM(STR$(4 + nfilt1)) + ') THEN xval = xval + 0.5 * ' + TRIM(STR$(xf1)) + ' + 0.5 * ' + TRIM(STR$(x))
|
||||
3200 punch nl$ + ' 70 IF (cell_no > ' + TRIM(STR$(4 + nfilt1)) + ' AND cell_no < ' + TRIM(STR$(4 + nfilt1 + nclay)) + ') THEN xval = xval + ' + TRIM(STR$(x)) + ' ELSE GOTO 90'
|
||||
3190 punch nl$ + ' 60 IF (cell_no = ' + TRIM(STR$(4 + nfilt1)) + ') THEN xval = xval + 0.5 * ' + TRIM(STR$(xf1)) + ' + 0.5 * ' + TRIM(STR$(x))
|
||||
3200 punch nl$ + ' 70 IF (cell_no > ' + TRIM(STR$(4 + nfilt1)) + ' AND cell_no < ' + TRIM(STR$(4 + nfilt1 + nclay)) + ') THEN xval = xval + ' + TRIM(STR$(x)) + ' ELSE GOTO 90'
|
||||
3210 punch nl$ + ' 80 GOTO 200'
|
||||
3220 punch nl$ + ' 90 IF (cell_no = ' + TRIM(STR$(4 + nfilt1 + nclay)) + ') THEN xval = xval + 0.5 * ' + TRIM(STR$(x)) + ' + 0.5 * ' + TRIM(STR$(xf2))
|
||||
3230 punch nl$ + ' 100 IF (cell_no > ' + TRIM(STR$(4 + nfilt1 + nclay)) + ' AND cell_no <= ' + TRIM(STR$(3 + nfilt1 + nclay + nfilt2)) + ') THEN xval = xval + ' + TRIM(STR$(xf2))
|
||||
3240 punch nl$ + ' 110 IF (cell_no = ' + TRIM(STR$(4 + nfilt1 + nclay + nfilt2)) + ') THEN xval = xval + 0.5 * ' + TRIM(STR$(xf2))
|
||||
3220 punch nl$ + ' 90 IF (cell_no = ' + TRIM(STR$(4 + nfilt1 + nclay)) + ') THEN xval = xval + 0.5 * ' + TRIM(STR$(x)) + ' + 0.5 * ' + TRIM(STR$(xf2))
|
||||
3230 punch nl$ + ' 100 IF (cell_no > ' + TRIM(STR$(4 + nfilt1 + nclay)) + ' AND cell_no <= ' + TRIM(STR$(3 + nfilt1 + nclay + nfilt2)) + ') THEN xval = xval + ' + TRIM(STR$(xf2))
|
||||
3240 punch nl$ + ' 110 IF (cell_no = ' + TRIM(STR$(4 + nfilt1 + nclay + nfilt2)) + ') THEN xval = xval + 0.5 * ' + TRIM(STR$(xf2))
|
||||
3250 punch nl$ + ' 200 y1 = TOT("' + tracer$(tracer) + '")'
|
||||
3260 punch nl$ + ' 210 plot_xy xval * 1e3, y1, color = Blue, symbol = Plus'
|
||||
3270 punch nl$ + ' 220 IF cell_no = 3 THEN put(y1, 15)'
|
||||
3280 punch nl$ + ' 230 IF (cell_no < ' + TRIM(STR$(4 + nfilt1)) + ' OR cell_no > ' + TRIM(STR$(3 + nfilt1 + nclay)) + ') THEN GOTO 400'
|
||||
3280 punch nl$ + ' 230 IF (cell_no < ' + TRIM(STR$(4 + nfilt1)) + ' OR cell_no > ' + TRIM(STR$(3 + nfilt1 + nclay)) + ') THEN GOTO 400'
|
||||
3290 punch nl$ + ' 240 y2 = SYS("' + tracer$(tracer) + '") / (tot("water") + edl("water"))'
|
||||
3310 punch nl$ + ' 250 REM y2 = y2 / ' + TRIM(STR$(rho_b_eps)) + x$ + ' conc / kg solid'
|
||||
3320 punch nl$ + ' 260 plot_xy xval * 1e3, y2, symbol = Circle, y_axis = 2'
|
||||
3330 punch nl$ + ' 270 IF (cell_no > ' + TRIM(STR$(5 + nfilt1)) + ') THEN GOTO 400'
|
||||
3340 punch nl$ + ' 280 IF ' + TRIM(STR$(nfilt1)) + ' THEN plot_xy ' + TRIM(STR$(thickn_filter1 * 1e3)) + ', get(15), color = Black, symbol = None'
|
||||
3350 punch nl$ + ' 290 IF ' + TRIM(STR$(nfilt2)) + ' THEN plot_xy ' + TRIM(STR$((thickn_filter1 + thickn_clay) * 1e3)) + ', get(15), color = Black, symbol = None'
|
||||
3340 punch nl$ + ' 280 IF ' + TRIM(STR$(nfilt1)) + ' THEN plot_xy ' + TRIM(STR$(thickn_filter1 * 1e3)) + ', get(15), color = Black, symbol = None'
|
||||
3350 punch nl$ + ' 290 IF ' + TRIM(STR$(nfilt2)) + ' THEN plot_xy ' + TRIM(STR$((thickn_filter1 + thickn_clay) * 1e3)) + ', get(15), color = Black, symbol = None'
|
||||
3360 punch nl$ + ' 300 put(0, 15)'
|
||||
3370 punch nl$ + ' 400 put(xval, 14)'
|
||||
3380 punch nl$ + 'END'
|
||||
@ -432,13 +430,14 @@ WARNING: USER_PUNCH: Headings count doesn't match number of calls to PUNCH.
|
||||
|
||||
pH = 7.600
|
||||
pe = 13.120 Equilibrium with O2(g)
|
||||
Specific Conductance (uS/cm, 23 oC) = 29748
|
||||
Density (g/cm3) = 1.01167
|
||||
Specific Conductance (uS/cm, 23 oC) = 29745
|
||||
Density (g/cm3) = 1.01166
|
||||
Volume (L) = 0.20165
|
||||
Activity of water = 0.990
|
||||
Ionic strength = 3.658e-01
|
||||
Mass of water (kg) = 2.000e-01
|
||||
Total carbon (mol/kg) = 4.786e-04
|
||||
Total CO2 (mol/kg) = 4.786e-04
|
||||
Total carbon (mol/kg) = 4.785e-04
|
||||
Total CO2 (mol/kg) = 4.785e-04
|
||||
Temperature (deg C) = 23.00
|
||||
Electrical balance (eq) = -1.312e-04
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.10
|
||||
@ -454,25 +453,25 @@ WARNING: USER_PUNCH: Headings count doesn't match number of calls to PUNCH.
|
||||
OH- 5.132e-07 3.380e-07 -6.290 -6.471 -0.181 -3.05
|
||||
H+ 3.238e-08 2.512e-08 -7.490 -7.600 -0.110 0.00
|
||||
H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.06
|
||||
C(4) 4.786e-04
|
||||
HCO3- 3.609e-04 2.565e-04 -3.443 -3.591 -0.148 25.80
|
||||
NaHCO3 4.505e-05 4.901e-05 -4.346 -4.310 0.037 28.81
|
||||
CaHCO3+ 2.941e-05 2.090e-05 -4.532 -4.680 -0.148 10.13
|
||||
MgHCO3+ 1.877e-05 1.373e-05 -4.726 -4.862 -0.136 5.95
|
||||
CO2 1.380e-05 1.502e-05 -4.860 -4.823 0.037 30.80
|
||||
CaCO3 4.500e-06 4.895e-06 -5.347 -5.310 0.037 -14.61
|
||||
MgCO3 1.804e-06 1.962e-06 -5.744 -5.707 0.037 -17.09
|
||||
NaCO3- 1.804e-06 1.319e-06 -5.744 -5.880 -0.136 -0.58
|
||||
CO3-2 1.802e-06 4.594e-07 -5.744 -6.338 -0.594 -1.87
|
||||
SrHCO3+ 6.601e-07 4.691e-07 -6.180 -6.329 -0.148 (0)
|
||||
SrCO3 3.254e-08 3.540e-08 -7.488 -7.451 0.037 -14.14
|
||||
C(4) 4.785e-04
|
||||
HCO3- 3.600e-04 2.558e-04 -3.444 -3.592 -0.148 25.80
|
||||
NaHCO3 4.493e-05 4.888e-05 -4.347 -4.311 0.037 28.81
|
||||
CaHCO3+ 2.881e-05 2.086e-05 -4.540 -4.681 -0.140 10.13
|
||||
MgHCO3+ 2.033e-05 1.370e-05 -4.692 -4.863 -0.171 5.95
|
||||
CO2 1.377e-05 1.498e-05 -4.861 -4.825 0.037 30.80
|
||||
CaCO3 4.491e-06 4.885e-06 -5.348 -5.311 0.037 -14.61
|
||||
NaCO3- 1.852e-06 1.316e-06 -5.732 -5.881 -0.148 -0.58
|
||||
MgCO3 1.800e-06 1.958e-06 -5.745 -5.708 0.037 -17.09
|
||||
CO3-2 1.797e-06 4.583e-07 -5.745 -6.339 -0.594 -1.87
|
||||
SrHCO3+ 6.588e-07 4.681e-07 -6.181 -6.330 -0.148 (0)
|
||||
SrCO3 3.247e-08 3.533e-08 -7.488 -7.452 0.037 -14.14
|
||||
Ca 2.580e-02
|
||||
Ca+2 2.376e-02 6.593e-03 -1.624 -2.181 -0.557 -16.69
|
||||
CaSO4 2.002e-03 2.178e-03 -2.699 -2.662 0.037 7.42
|
||||
CaHCO3+ 2.941e-05 2.090e-05 -4.532 -4.680 -0.148 10.13
|
||||
CaCO3 4.500e-06 4.895e-06 -5.347 -5.310 0.037 -14.61
|
||||
CaOH+ 5.895e-08 4.312e-08 -7.230 -7.365 -0.136 (0)
|
||||
CaHSO4+ 4.779e-10 3.496e-10 -9.321 -9.456 -0.136 (0)
|
||||
Ca+2 2.377e-02 6.596e-03 -1.624 -2.181 -0.557 -16.65
|
||||
CaSO4 1.994e-03 2.169e-03 -2.700 -2.664 0.037 7.42
|
||||
CaHCO3+ 2.881e-05 2.086e-05 -4.540 -4.681 -0.140 10.13
|
||||
CaCO3 4.491e-06 4.885e-06 -5.348 -5.311 0.037 -14.61
|
||||
CaOH+ 5.959e-08 4.314e-08 -7.225 -7.365 -0.140 (0)
|
||||
CaHSO4+ 4.759e-10 3.481e-10 -9.322 -9.458 -0.136 (0)
|
||||
Cl 3.000e-01
|
||||
Cl- 3.000e-01 2.001e-01 -0.523 -0.699 -0.176 18.52
|
||||
H(0) 0.000e+00
|
||||
@ -481,37 +480,35 @@ Hto 1.140e-09
|
||||
Hto 1.140e-09 1.140e-09 -8.943 -8.943 0.000 (0)
|
||||
K 1.610e-03
|
||||
K+ 1.591e-03 1.061e-03 -2.798 -2.974 -0.176 9.44
|
||||
KSO4- 1.856e-05 1.358e-05 -4.731 -4.867 -0.136 (0)
|
||||
KOH 1.333e-10 1.450e-10 -9.875 -9.839 0.037 (0)
|
||||
KSO4- 1.902e-05 1.351e-05 -4.721 -4.869 -0.148 (0)
|
||||
Mg 1.690e-02
|
||||
Mg+2 1.510e-02 4.615e-03 -1.821 -2.336 -0.515 -20.63
|
||||
MgSO4 1.781e-03 1.937e-03 -2.749 -2.713 0.037 5.76
|
||||
MgHCO3+ 1.877e-05 1.373e-05 -4.726 -4.862 -0.136 5.95
|
||||
MgCO3 1.804e-06 1.962e-06 -5.744 -5.707 0.037 -17.09
|
||||
MgOH+ 7.526e-07 5.506e-07 -6.123 -6.259 -0.136 (0)
|
||||
Mg+2 1.510e-02 4.617e-03 -1.821 -2.336 -0.515 -20.58
|
||||
MgSO4 1.773e-03 1.929e-03 -2.751 -2.715 0.037 5.76
|
||||
MgHCO3+ 2.033e-05 1.370e-05 -4.692 -4.863 -0.171 5.95
|
||||
MgCO3 1.800e-06 1.958e-06 -5.745 -5.708 0.037 -17.09
|
||||
MgOH+ 7.503e-07 5.508e-07 -6.125 -6.259 -0.134 (0)
|
||||
Na 2.400e-01
|
||||
Na+ 2.378e-01 1.707e-01 -0.624 -0.768 -0.144 -0.85
|
||||
NaSO4- 2.178e-03 1.593e-03 -2.662 -2.798 -0.136 29.59
|
||||
NaHCO3 4.505e-05 4.901e-05 -4.346 -4.310 0.037 28.81
|
||||
NaCO3- 1.804e-06 1.319e-06 -5.744 -5.880 -0.136 -0.58
|
||||
NaOH 5.303e-18 5.769e-18 -17.275 -17.239 0.037 (0)
|
||||
Na+ 2.377e-01 1.707e-01 -0.624 -0.768 -0.144 -0.82
|
||||
NaSO4- 2.231e-03 1.585e-03 -2.652 -2.800 -0.148 29.59
|
||||
NaHCO3 4.493e-05 4.888e-05 -4.347 -4.311 0.037 28.81
|
||||
NaCO3- 1.852e-06 1.316e-06 -5.732 -5.881 -0.148 -0.58
|
||||
O(0) 2.437e-04
|
||||
O2 1.218e-04 1.325e-04 -3.914 -3.878 0.037 30.24
|
||||
S(6) 1.410e-02
|
||||
SO4-2 8.079e-03 1.886e-03 -2.093 -2.724 -0.632 13.42
|
||||
NaSO4- 2.178e-03 1.593e-03 -2.662 -2.798 -0.136 29.59
|
||||
CaSO4 2.002e-03 2.178e-03 -2.699 -2.662 0.037 7.42
|
||||
MgSO4 1.781e-03 1.937e-03 -2.749 -2.713 0.037 5.76
|
||||
SrSO4 4.227e-05 4.598e-05 -4.374 -4.337 0.037 24.16
|
||||
KSO4- 1.856e-05 1.358e-05 -4.731 -4.867 -0.136 (0)
|
||||
HSO4- 6.030e-09 4.411e-09 -8.220 -8.355 -0.136 35.56
|
||||
CaHSO4+ 4.779e-10 3.496e-10 -9.321 -9.456 -0.136 (0)
|
||||
SO4-2 8.041e-03 1.877e-03 -2.095 -2.726 -0.632 13.40
|
||||
NaSO4- 2.231e-03 1.585e-03 -2.652 -2.800 -0.148 29.59
|
||||
CaSO4 1.994e-03 2.169e-03 -2.700 -2.664 0.037 7.42
|
||||
MgSO4 1.773e-03 1.929e-03 -2.751 -2.715 0.037 5.76
|
||||
SrSO4 4.209e-05 4.579e-05 -4.376 -4.339 0.037 24.16
|
||||
KSO4- 1.902e-05 1.351e-05 -4.721 -4.869 -0.148 (0)
|
||||
HSO4- 6.381e-09 4.390e-09 -8.195 -8.358 -0.162 35.56
|
||||
CaHSO4+ 4.759e-10 3.481e-10 -9.322 -9.458 -0.136 (0)
|
||||
Sr 5.050e-04
|
||||
Sr+2 4.620e-04 1.280e-04 -3.335 -3.893 -0.557 -17.67
|
||||
SrSO4 4.227e-05 4.598e-05 -4.374 -4.337 0.037 24.16
|
||||
SrHCO3+ 6.601e-07 4.691e-07 -6.180 -6.329 -0.148 (0)
|
||||
SrCO3 3.254e-08 3.540e-08 -7.488 -7.451 0.037 -14.14
|
||||
SrOH+ 3.692e-10 2.588e-10 -9.433 -9.587 -0.154 (0)
|
||||
Sr+2 4.622e-04 1.281e-04 -3.335 -3.892 -0.557 -17.72
|
||||
SrSO4 4.209e-05 4.579e-05 -4.376 -4.339 0.037 24.16
|
||||
SrHCO3+ 6.588e-07 4.681e-07 -6.181 -6.330 -0.148 (0)
|
||||
SrCO3 3.247e-08 3.533e-08 -7.488 -7.452 0.037 -14.14
|
||||
SrOH+ 3.693e-10 2.589e-10 -9.433 -9.587 -0.154 (0)
|
||||
|
||||
------------------------------Saturation indices-------------------------------
|
||||
|
||||
@ -523,7 +520,7 @@ Sr 5.050e-04
|
||||
Celestite 0.03 -6.62 -6.65 SrSO4
|
||||
CO2(g) -3.39 -4.82 -1.44 CO2
|
||||
Dolomite -0.15 -17.19 -17.04 CaMg(CO3)2
|
||||
Gypsum -0.33 -4.91 -4.58 CaSO4:2H2O
|
||||
Gypsum -0.34 -4.92 -4.58 CaSO4:2H2O
|
||||
H2(g) -41.48 -44.58 -3.10 H2
|
||||
H2O(g) -1.56 -0.00 1.55 H2O
|
||||
Halite -3.04 -1.47 1.58 NaCl
|
||||
@ -541,6 +538,7 @@ Reading input data for simulation 3.
|
||||
|
||||
PRINT
|
||||
selected_output false
|
||||
status false
|
||||
PRINT
|
||||
reset false
|
||||
user_print true
|
||||
@ -913,18 +911,6 @@ WARNING: No dispersivities were read; disp = 0 assumed.
|
||||
60 put(a, 2)
|
||||
70 plot_xy days, equi("A_Hto"), y_axis = 2, color = Red, symbol = None
|
||||
END
|
||||
WARNING: Maximum iterations exceeded, 100
|
||||
|
||||
WARNING: Numerical method failed with this set of convergence parameters.
|
||||
|
||||
WARNING: Trying smaller step size, pe step size 10, 5 ...
|
||||
|
||||
WARNING: Maximum iterations exceeded, 200
|
||||
|
||||
WARNING: Numerical method failed with this set of convergence parameters.
|
||||
|
||||
WARNING: Trying reduced tolerance 1e-16 ...
|
||||
|
||||
TRANSPORT
|
||||
shifts 0
|
||||
punch_frequency 2
|
||||
@ -945,12 +931,12 @@ WARNING: Trying reduced tolerance 1e-16 ...
|
||||
30 IF (cell_no = 4) THEN xval = xval + 0.5 * 1.8000e-03
|
||||
40 IF (cell_no > 4 AND cell_no < 5) THEN xval = xval + 1.8000e-03
|
||||
50 GOTO 200
|
||||
60 IF (cell_no = 5) THEN xval = xval + 0.5 * 1.8000e-03 + 0.5 * 1.7109e-03
|
||||
60 IF (cell_no = 5) THEN xval = xval + 0.5 * 1.8000e-03 + 0.5 * 1.7109e-03
|
||||
70 IF (cell_no > 5 AND cell_no < 16) THEN xval = xval + 1.7109e-03 ELSE GOTO 90
|
||||
80 GOTO 200
|
||||
90 IF (cell_no = 16) THEN xval = xval + 0.5 * 1.7109e-03 + 0.5 * 1.6000e-03
|
||||
90 IF (cell_no = 16) THEN xval = xval + 0.5 * 1.7109e-03 + 0.5 * 1.6000e-03
|
||||
100 IF (cell_no > 16 AND cell_no <= 16) THEN xval = xval + 1.6000e-03
|
||||
110 IF (cell_no = 17) THEN xval = xval + 0.5 * 1.6000e-03
|
||||
110 IF (cell_no = 17) THEN xval = xval + 0.5 * 1.6000e-03
|
||||
200 y1 = TOT("Hto")
|
||||
210 plot_xy xval * 1e3, y1, color = Blue, symbol = Plus
|
||||
220 IF cell_no = 3 THEN put(y1, 15)
|
||||
@ -966,6 +952,6 @@ WARNING: Trying reduced tolerance 1e-16 ...
|
||||
END
|
||||
END
|
||||
-------------------------------
|
||||
End of Run after 32.23 Seconds.
|
||||
End of Run after 28.75 Seconds.
|
||||
-------------------------------
|
||||
|
||||
|
||||
2
ex2b.out
2
ex2b.out
@ -24,6 +24,6 @@ Reading input data for simulation 1.
|
||||
PRINT
|
||||
reset false
|
||||
------------------------------
|
||||
End of Run after 0.07 Seconds.
|
||||
End of Run after 0.05 Seconds.
|
||||
------------------------------
|
||||
|
||||
|
||||
526
ex3.out
526
ex3.out
@ -52,6 +52,7 @@ Initial solution 1. Pure water
|
||||
pe = 4.000
|
||||
Specific Conductance (uS/cm, 25 oC) = 0
|
||||
Density (g/cm3) = 0.99704
|
||||
Volume (L) = 1.00297
|
||||
Activity of water = 1.000
|
||||
Ionic strength = 1.002e-07
|
||||
Mass of water (kg) = 1.000e+00
|
||||
@ -117,15 +118,16 @@ Calcite 0.00 -8.48 -8.48 1.000e+01 9.998e+00 -1.657e-03
|
||||
pe = -1.809 Adjusted to redox equilibrium
|
||||
Specific Conductance (uS/cm, 25 oC) = 308
|
||||
Density (g/cm3) = 0.99726
|
||||
Volume (L) = 1.00318
|
||||
Activity of water = 1.000
|
||||
Ionic strength = 4.858e-03
|
||||
Mass of water (kg) = 1.000e+00
|
||||
Total alkalinity (eq/kg) = 3.313e-03
|
||||
Total CO2 (mol/kg) = 3.650e-03
|
||||
Temperature (deg C) = 25.00
|
||||
Electrical balance (eq) = -2.208e-10
|
||||
Electrical balance (eq) = -2.412e-10
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
|
||||
Iterations = 17
|
||||
Iterations = 16
|
||||
Total H = 1.110124e+02
|
||||
Total O = 5.551517e+01
|
||||
|
||||
@ -138,22 +140,22 @@ Calcite 0.00 -8.48 -8.48 1.000e+01 9.998e+00 -1.657e-03
|
||||
H+ 5.467e-08 5.109e-08 -7.262 -7.292 -0.029 0.00
|
||||
H2O 5.551e+01 9.999e-01 1.744 -0.000 0.000 18.07
|
||||
C(-4) 1.165e-23
|
||||
CH4 1.165e-23 1.167e-23 -22.933 -22.933 0.000 32.22
|
||||
CH4 1.165e-23 1.166e-23 -22.934 -22.933 0.000 32.22
|
||||
C(4) 3.650e-03
|
||||
HCO3- 3.245e-03 3.017e-03 -2.489 -2.520 -0.032 24.63
|
||||
CO2 3.462e-04 3.466e-04 -3.461 -3.460 0.000 30.26
|
||||
CaHCO3+ 4.952e-05 4.604e-05 -4.305 -4.337 -0.032 9.71
|
||||
CaHCO3+ 4.947e-05 4.604e-05 -4.306 -4.337 -0.031 9.71
|
||||
CaCO3 5.559e-06 5.565e-06 -5.255 -5.255 0.000 -14.60
|
||||
CO3-2 3.707e-06 2.770e-06 -5.431 -5.558 -0.127 -3.84
|
||||
Ca 1.657e-03
|
||||
Ca+2 1.602e-03 1.196e-03 -2.795 -2.922 -0.127 -17.35
|
||||
CaHCO3+ 4.952e-05 4.604e-05 -4.305 -4.337 -0.032 9.71
|
||||
Ca+2 1.602e-03 1.196e-03 -2.795 -2.922 -0.127 -17.33
|
||||
CaHCO3+ 4.947e-05 4.604e-05 -4.306 -4.337 -0.031 9.71
|
||||
CaCO3 5.559e-06 5.565e-06 -5.255 -5.255 0.000 -14.60
|
||||
CaOH+ 4.187e-09 3.885e-09 -8.378 -8.411 -0.032 (0)
|
||||
CaOH+ 4.175e-09 3.885e-09 -8.379 -8.411 -0.031 (0)
|
||||
H(0) 1.530e-14
|
||||
H2 7.651e-15 7.660e-15 -14.116 -14.116 0.000 28.61
|
||||
H2 7.650e-15 7.659e-15 -14.116 -14.116 0.000 28.61
|
||||
O(0) 0.000e+00
|
||||
O2 0.000e+00 0.000e+00 -64.149 -64.149 0.000 30.40
|
||||
O2 0.000e+00 0.000e+00 -64.149 -64.148 0.000 30.40
|
||||
|
||||
------------------------------Saturation indices-------------------------------
|
||||
|
||||
@ -221,101 +223,100 @@ Initial solution 2. Seawater
|
||||
|
||||
pH = 8.220
|
||||
pe = 8.451
|
||||
Specific Conductance (uS/cm, 25 oC) = 52785
|
||||
Density (g/cm3) = 1.02327
|
||||
Specific Conductance (uS/cm, 25 oC) = 52753
|
||||
Density (g/cm3) = 1.02324
|
||||
Volume (L) = 1.01474
|
||||
Activity of water = 0.981
|
||||
Ionic strength = 6.751e-01
|
||||
Ionic strength = 6.747e-01
|
||||
Mass of water (kg) = 1.000e+00
|
||||
Total carbon (mol/kg) = 2.191e-03
|
||||
Total CO2 (mol/kg) = 2.191e-03
|
||||
Total carbon (mol/kg) = 2.187e-03
|
||||
Total CO2 (mol/kg) = 2.187e-03
|
||||
Temperature (deg C) = 25.00
|
||||
Electrical balance (eq) = 7.967e-04
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.07
|
||||
Iterations = 7
|
||||
Total H = 1.110147e+02
|
||||
Total O = 5.563012e+01
|
||||
Total O = 5.563011e+01
|
||||
|
||||
----------------------------Distribution of species----------------------------
|
||||
|
||||
Log Log Log mole V
|
||||
Species Molality Activity Molality Activity Gamma cm3/mol
|
||||
|
||||
OH- 2.679e-06 1.631e-06 -5.572 -5.788 -0.215 -2.24
|
||||
OH- 2.679e-06 1.631e-06 -5.572 -5.788 -0.215 -2.25
|
||||
H+ 7.984e-09 6.026e-09 -8.098 -8.220 -0.122 0.00
|
||||
H2O 5.551e+01 9.806e-01 1.744 -0.009 0.000 18.07
|
||||
C(4) 2.191e-03
|
||||
HCO3- 1.436e-03 9.698e-04 -2.843 -3.013 -0.171 26.82
|
||||
NaHCO3 2.810e-04 3.282e-04 -3.551 -3.484 0.068 29.13
|
||||
MgHCO3+ 2.079e-04 1.553e-04 -3.682 -3.809 -0.127 6.22
|
||||
MgCO3 8.439e-05 9.858e-05 -4.074 -4.006 0.068 -17.09
|
||||
NaCO3- 6.368e-05 4.756e-05 -4.196 -4.323 -0.127 1.32
|
||||
CaHCO3+ 4.404e-05 2.974e-05 -4.356 -4.527 -0.171 10.42
|
||||
CO3-2 3.630e-05 7.548e-06 -4.440 -5.122 -0.682 -0.70
|
||||
CaCO3 2.609e-05 3.047e-05 -4.584 -4.516 0.068 -14.60
|
||||
CO2 1.147e-05 1.340e-05 -4.940 -4.873 0.068 30.26
|
||||
C(4) 2.187e-03
|
||||
HCO3- 1.405e-03 9.486e-04 -2.852 -3.023 -0.171 26.82
|
||||
NaHCO3 2.746e-04 3.207e-04 -3.561 -3.494 0.067 29.13
|
||||
MgHCO3+ 2.422e-04 1.523e-04 -3.616 -3.817 -0.201 6.22
|
||||
MgCO3 8.275e-05 9.666e-05 -4.082 -4.015 0.067 -17.09
|
||||
NaCO3- 6.882e-05 4.648e-05 -4.162 -4.333 -0.171 1.31
|
||||
CaHCO3+ 4.214e-05 2.915e-05 -4.375 -4.535 -0.160 10.42
|
||||
CO3-2 3.550e-05 7.383e-06 -4.450 -5.132 -0.682 -0.70
|
||||
CaCO3 2.558e-05 2.988e-05 -4.592 -4.525 0.067 -14.60
|
||||
CO2 1.122e-05 1.311e-05 -4.950 -4.883 0.067 30.26
|
||||
Ca 1.066e-02
|
||||
Ca+2 9.613e-03 2.403e-03 -2.017 -2.619 -0.602 -16.39
|
||||
CaSO4 9.779e-04 1.142e-03 -3.010 -2.942 0.068 7.50
|
||||
CaHCO3+ 4.404e-05 2.974e-05 -4.356 -4.527 -0.171 10.42
|
||||
CaCO3 2.609e-05 3.047e-05 -4.584 -4.516 0.068 -14.60
|
||||
CaOH+ 8.690e-08 6.490e-08 -7.061 -7.188 -0.127 (0)
|
||||
CaHSO4+ 6.058e-11 4.525e-11 -10.218 -10.344 -0.127 (0)
|
||||
Ca+2 9.635e-03 2.409e-03 -2.016 -2.618 -0.602 -16.37
|
||||
CaSO4 9.583e-04 1.119e-03 -3.018 -2.951 0.067 7.50
|
||||
CaHCO3+ 4.214e-05 2.915e-05 -4.375 -4.535 -0.160 10.42
|
||||
CaCO3 2.558e-05 2.988e-05 -4.592 -4.525 0.067 -14.60
|
||||
CaOH+ 9.403e-08 6.506e-08 -7.027 -7.187 -0.160 (0)
|
||||
CaHSO4+ 5.936e-11 4.434e-11 -10.226 -10.353 -0.127 (0)
|
||||
Cl 5.657e-01
|
||||
Cl- 5.657e-01 3.526e-01 -0.247 -0.453 -0.205 18.78
|
||||
H(0) 5.515e-37
|
||||
H2 2.757e-37 3.221e-37 -36.560 -36.492 0.068 28.61
|
||||
H2 2.758e-37 3.221e-37 -36.559 -36.492 0.067 28.61
|
||||
K 1.058e-02
|
||||
K+ 1.041e-02 6.490e-03 -1.982 -2.188 -0.205 9.76
|
||||
KSO4- 1.632e-04 1.219e-04 -3.787 -3.914 -0.127 (0)
|
||||
KOH 3.135e-09 3.662e-09 -8.504 -8.436 0.068 (0)
|
||||
K+ 1.040e-02 6.483e-03 -1.983 -2.188 -0.205 9.75
|
||||
KSO4- 1.763e-04 1.190e-04 -3.754 -3.924 -0.171 (0)
|
||||
Mg 5.507e-02
|
||||
Mg+2 4.742e-02 1.369e-02 -1.324 -1.864 -0.540 -20.43
|
||||
MgSO4 7.342e-03 8.576e-03 -2.134 -2.067 0.068 5.84
|
||||
MgHCO3+ 2.079e-04 1.553e-04 -3.682 -3.809 -0.127 6.22
|
||||
MgCO3 8.439e-05 9.858e-05 -4.074 -4.006 0.068 -17.09
|
||||
MgOH+ 1.083e-05 8.087e-06 -4.965 -5.092 -0.127 (0)
|
||||
Mg+2 4.753e-02 1.372e-02 -1.323 -1.863 -0.540 -20.41
|
||||
MgSO4 7.195e-03 8.404e-03 -2.143 -2.075 0.067 5.84
|
||||
MgHCO3+ 2.422e-04 1.523e-04 -3.616 -3.817 -0.201 6.22
|
||||
MgCO3 8.275e-05 9.666e-05 -4.082 -4.015 0.067 -17.09
|
||||
MgOH+ 1.151e-05 8.106e-06 -4.939 -5.091 -0.152 (0)
|
||||
Na 4.854e-01
|
||||
Na+ 4.790e-01 3.384e-01 -0.320 -0.471 -0.151 -0.58
|
||||
NaSO4- 6.070e-03 4.534e-03 -2.217 -2.344 -0.127 31.17
|
||||
NaHCO3 2.810e-04 3.282e-04 -3.551 -3.484 0.068 29.13
|
||||
NaCO3- 6.368e-05 4.756e-05 -4.196 -4.323 -0.127 1.32
|
||||
NaOH 4.725e-17 5.519e-17 -16.326 -16.258 0.068 (0)
|
||||
O(0) 6.614e-20
|
||||
O2 3.307e-20 3.863e-20 -19.481 -19.413 0.068 30.40
|
||||
Na+ 4.785e-01 3.381e-01 -0.320 -0.471 -0.151 -0.54
|
||||
NaSO4- 6.557e-03 4.428e-03 -2.183 -2.354 -0.171 31.16
|
||||
NaHCO3 2.746e-04 3.207e-04 -3.561 -3.494 0.067 29.13
|
||||
NaCO3- 6.882e-05 4.648e-05 -4.162 -4.333 -0.171 1.31
|
||||
O(0) 6.615e-20
|
||||
O2 3.307e-20 3.863e-20 -19.481 -19.413 0.067 30.40
|
||||
S(6) 2.926e-02
|
||||
SO4-2 1.470e-02 2.673e-03 -1.833 -2.573 -0.740 13.72
|
||||
MgSO4 7.342e-03 8.576e-03 -2.134 -2.067 0.068 5.84
|
||||
NaSO4- 6.070e-03 4.534e-03 -2.217 -2.344 -0.127 31.17
|
||||
CaSO4 9.779e-04 1.142e-03 -3.010 -2.942 0.068 7.50
|
||||
KSO4- 1.632e-04 1.219e-04 -3.787 -3.914 -0.127 (0)
|
||||
HSO4- 2.097e-09 1.566e-09 -8.678 -8.805 -0.127 35.91
|
||||
CaHSO4+ 6.058e-11 4.525e-11 -10.218 -10.344 -0.127 (0)
|
||||
SO4-2 1.437e-02 2.613e-03 -1.842 -2.583 -0.740 13.67
|
||||
MgSO4 7.195e-03 8.404e-03 -2.143 -2.075 0.067 5.84
|
||||
NaSO4- 6.557e-03 4.428e-03 -2.183 -2.354 -0.171 31.16
|
||||
CaSO4 9.583e-04 1.119e-03 -3.018 -2.951 0.067 7.50
|
||||
KSO4- 1.763e-04 1.190e-04 -3.754 -3.924 -0.171 (0)
|
||||
HSO4- 2.367e-09 1.531e-09 -8.626 -8.815 -0.189 35.91
|
||||
CaHSO4+ 5.936e-11 4.434e-11 -10.226 -10.353 -0.127 (0)
|
||||
Si 7.382e-05
|
||||
H4SiO4 7.110e-05 8.306e-05 -4.148 -4.081 0.068 52.08
|
||||
H3SiO4- 2.721e-06 2.033e-06 -5.565 -5.692 -0.127 28.72
|
||||
H2SiO4-2 7.374e-11 2.295e-11 -10.132 -10.639 -0.507 (0)
|
||||
H4SiO4 7.061e-05 8.248e-05 -4.151 -4.084 0.067 52.08
|
||||
H3SiO4- 3.210e-06 2.018e-06 -5.494 -5.695 -0.201 28.72
|
||||
H2SiO4-2 1.096e-10 2.279e-11 -9.960 -10.642 -0.682 (0)
|
||||
|
||||
------------------------------Saturation indices-------------------------------
|
||||
|
||||
Phase SI log IAP log K(298 K, 1 atm)
|
||||
|
||||
Anhydrite -0.95 -5.19 -4.24 CaSO4
|
||||
Aragonite 0.59 -7.74 -8.34 CaCO3
|
||||
Calcite 0.74 -7.74 -8.48 CaCO3
|
||||
Chalcedony -0.51 -4.06 -3.55 SiO2
|
||||
Anhydrite -0.96 -5.20 -4.24 CaSO4
|
||||
Aragonite 0.59 -7.75 -8.34 CaCO3
|
||||
Calcite 0.73 -7.75 -8.48 CaCO3
|
||||
Chalcedony -0.52 -4.07 -3.55 SiO2
|
||||
Chrysotile 3.36 35.56 32.20 Mg3Si2O5(OH)4
|
||||
CO2(g) -3.41 -4.87 -1.46 CO2
|
||||
Dolomite 2.36 -14.73 -17.09 CaMg(CO3)2
|
||||
Gypsum -0.63 -5.21 -4.58 CaSO4:2H2O
|
||||
CO2(g) -3.42 -4.88 -1.46 CO2
|
||||
Dolomite 2.35 -14.74 -17.09 CaMg(CO3)2
|
||||
Gypsum -0.64 -5.22 -4.58 CaSO4:2H2O
|
||||
H2(g) -33.39 -36.49 -3.10 H2
|
||||
H2O(g) -1.51 -0.01 1.50 H2O
|
||||
Halite -2.51 -0.92 1.58 NaCl
|
||||
O2(g) -16.52 -19.41 -2.89 O2
|
||||
Quartz -0.08 -4.06 -3.98 SiO2
|
||||
Sepiolite 1.16 16.92 15.76 Mg2Si3O7.5OH:3H2O
|
||||
Sepiolite(d) -1.74 16.92 18.66 Mg2Si3O7.5OH:3H2O
|
||||
SiO2(a) -1.35 -4.06 -2.71 SiO2
|
||||
Talc 6.04 27.44 21.40 Mg3Si4O10(OH)2
|
||||
Quartz -0.09 -4.07 -3.98 SiO2
|
||||
Sepiolite 1.15 16.91 15.76 Mg2Si3O7.5OH:3H2O
|
||||
Sepiolite(d) -1.75 16.91 18.66 Mg2Si3O7.5OH:3H2O
|
||||
SiO2(a) -1.35 -4.07 -2.71 SiO2
|
||||
Talc 6.03 27.43 21.40 Mg3Si4O10(OH)2
|
||||
|
||||
|
||||
------------------
|
||||
@ -355,7 +356,7 @@ Mixture 1.
|
||||
|
||||
Elements Molality Moles
|
||||
|
||||
C 3.212e-03 3.212e-03
|
||||
C 3.211e-03 3.211e-03
|
||||
Ca 4.358e-03 4.358e-03
|
||||
Cl 1.697e-01 1.697e-01
|
||||
K 3.173e-03 3.173e-03
|
||||
@ -366,87 +367,86 @@ Mixture 1.
|
||||
|
||||
----------------------------Description of solution----------------------------
|
||||
|
||||
pH = 7.328 Charge balance
|
||||
pe = -1.708 Adjusted to redox equilibrium
|
||||
Specific Conductance (uS/cm, 25 oC) = 18674
|
||||
pH = 7.329 Charge balance
|
||||
pe = -1.681 Adjusted to redox equilibrium
|
||||
Specific Conductance (uS/cm, 25 oC) = 18673
|
||||
Density (g/cm3) = 1.00524
|
||||
Volume (L) = 1.00653
|
||||
Activity of water = 0.994
|
||||
Ionic strength = 2.087e-01
|
||||
Mass of water (kg) = 1.000e+00
|
||||
Total alkalinity (eq/kg) = 3.041e-03
|
||||
Total CO2 (mol/kg) = 3.212e-03
|
||||
Total CO2 (mol/kg) = 3.211e-03
|
||||
Temperature (deg C) = 25.00
|
||||
Electrical balance (eq) = 2.390e-04
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.06
|
||||
Iterations = 12
|
||||
Iterations = 11
|
||||
Total H = 1.110131e+02
|
||||
Total O = 5.554966e+01
|
||||
Total O = 5.554965e+01
|
||||
|
||||
----------------------------Distribution of species----------------------------
|
||||
|
||||
Log Log Log mole V
|
||||
Species Molality Activity Molality Activity Gamma cm3/mol
|
||||
|
||||
OH- 3.013e-07 2.119e-07 -6.521 -6.674 -0.153 -3.34
|
||||
H+ 5.906e-08 4.701e-08 -7.229 -7.328 -0.099 0.00
|
||||
OH- 3.023e-07 2.127e-07 -6.520 -6.672 -0.153 -3.34
|
||||
H+ 5.886e-08 4.685e-08 -7.230 -7.329 -0.099 0.00
|
||||
H2O 5.551e+01 9.941e-01 1.744 -0.003 0.000 18.07
|
||||
C(-4) 5.410e-25
|
||||
CH4 5.410e-25 5.677e-25 -24.267 -24.246 0.021 32.22
|
||||
C(4) 3.212e-03
|
||||
HCO3- 2.602e-03 1.935e-03 -2.585 -2.713 -0.129 25.45
|
||||
NaHCO3 1.972e-04 2.070e-04 -3.705 -3.684 0.021 29.13
|
||||
CO2 1.961e-04 2.057e-04 -3.708 -3.687 0.021 30.26
|
||||
MgHCO3+ 1.508e-04 1.123e-04 -3.822 -3.950 -0.128 5.88
|
||||
CaHCO3+ 4.190e-05 3.115e-05 -4.378 -4.507 -0.129 10.07
|
||||
MgCO3 8.708e-06 9.137e-06 -5.060 -5.039 0.021 -17.09
|
||||
CO3-2 6.315e-06 1.930e-06 -5.200 -5.714 -0.515 -2.28
|
||||
NaCO3- 5.162e-06 3.844e-06 -5.287 -5.415 -0.128 -1.41
|
||||
CaCO3 3.900e-06 4.092e-06 -5.409 -5.388 0.021 -14.60
|
||||
C(-4) 3.138e-25
|
||||
CH4 3.138e-25 3.292e-25 -24.503 -24.483 0.021 32.22
|
||||
C(4) 3.211e-03
|
||||
HCO3- 2.597e-03 1.931e-03 -2.585 -2.714 -0.129 25.45
|
||||
NaHCO3 1.969e-04 2.066e-04 -3.706 -3.685 0.021 29.13
|
||||
CO2 1.950e-04 2.046e-04 -3.710 -3.689 0.021 30.26
|
||||
MgHCO3+ 1.567e-04 1.121e-04 -3.805 -3.951 -0.146 5.88
|
||||
CaHCO3+ 4.124e-05 3.110e-05 -4.385 -4.507 -0.123 10.07
|
||||
MgCO3 8.719e-06 9.148e-06 -5.060 -5.039 0.021 -17.09
|
||||
CO3-2 6.325e-06 1.933e-06 -5.199 -5.714 -0.515 -2.28
|
||||
NaCO3- 5.178e-06 3.850e-06 -5.286 -5.415 -0.129 -1.41
|
||||
CaCO3 3.907e-06 4.099e-06 -5.408 -5.387 0.021 -14.60
|
||||
Ca 4.358e-03
|
||||
Ca+2 3.973e-03 1.262e-03 -2.401 -2.899 -0.498 -16.77
|
||||
CaSO4 3.391e-04 3.557e-04 -3.470 -3.449 0.021 7.50
|
||||
CaHCO3+ 4.190e-05 3.115e-05 -4.378 -4.507 -0.129 10.07
|
||||
CaCO3 3.900e-06 4.092e-06 -5.409 -5.388 0.021 -14.60
|
||||
CaOH+ 5.947e-09 4.429e-09 -8.226 -8.354 -0.128 (0)
|
||||
CaHSO4+ 1.476e-10 1.099e-10 -9.831 -9.959 -0.128 (0)
|
||||
Ca+2 3.974e-03 1.262e-03 -2.401 -2.899 -0.498 -16.72
|
||||
CaSO4 3.391e-04 3.558e-04 -3.470 -3.449 0.021 7.50
|
||||
CaHCO3+ 4.124e-05 3.110e-05 -4.385 -4.507 -0.123 10.07
|
||||
CaCO3 3.907e-06 4.099e-06 -5.408 -5.387 0.021 -14.60
|
||||
CaOH+ 5.895e-09 4.445e-09 -8.230 -8.352 -0.123 (0)
|
||||
CaHSO4+ 1.471e-10 1.096e-10 -9.832 -9.960 -0.128 (0)
|
||||
Cl 1.697e-01
|
||||
Cl- 1.697e-01 1.203e-01 -0.770 -0.920 -0.150 18.46
|
||||
H(0) 7.789e-15
|
||||
H2 3.895e-15 4.086e-15 -14.410 -14.389 0.021 28.61
|
||||
H(0) 6.807e-15
|
||||
H2 3.403e-15 3.571e-15 -14.468 -14.447 0.021 28.61
|
||||
K 3.173e-03
|
||||
K+ 3.140e-03 2.225e-03 -2.503 -2.653 -0.150 9.36
|
||||
KSO4- 3.327e-05 2.478e-05 -4.478 -4.606 -0.128 (0)
|
||||
KOH 1.555e-10 1.631e-10 -9.808 -9.787 0.021 (0)
|
||||
KSO4- 3.332e-05 2.478e-05 -4.477 -4.606 -0.129 (0)
|
||||
Mg 1.652e-02
|
||||
Mg+2 1.460e-02 4.961e-03 -1.836 -2.304 -0.469 -20.84
|
||||
MgSO4 1.757e-03 1.844e-03 -2.755 -2.734 0.021 5.84
|
||||
MgHCO3+ 1.508e-04 1.123e-04 -3.822 -3.950 -0.128 5.88
|
||||
MgCO3 8.708e-06 9.137e-06 -5.060 -5.039 0.021 -17.09
|
||||
MgOH+ 5.115e-07 3.809e-07 -6.291 -6.419 -0.128 (0)
|
||||
Mg+2 1.460e-02 4.960e-03 -1.836 -2.305 -0.469 -20.79
|
||||
MgSO4 1.756e-03 1.843e-03 -2.755 -2.735 0.021 5.84
|
||||
MgHCO3+ 1.567e-04 1.121e-04 -3.805 -3.951 -0.146 5.88
|
||||
MgCO3 8.719e-06 9.148e-06 -5.060 -5.039 0.021 -17.09
|
||||
MgOH+ 5.013e-07 3.821e-07 -6.300 -6.418 -0.118 (0)
|
||||
Na 1.456e-01
|
||||
Na+ 1.443e-01 1.070e-01 -0.841 -0.971 -0.130 -0.87
|
||||
NaSO4- 1.141e-03 8.498e-04 -2.943 -3.071 -0.128 28.65
|
||||
NaHCO3 1.972e-04 2.070e-04 -3.705 -3.684 0.021 29.13
|
||||
NaCO3- 5.162e-06 3.844e-06 -5.287 -5.415 -0.128 -1.41
|
||||
NaOH 2.161e-18 2.267e-18 -17.665 -17.645 0.021 (0)
|
||||
Na+ 1.443e-01 1.070e-01 -0.841 -0.971 -0.130 -0.84
|
||||
NaSO4- 1.143e-03 8.497e-04 -2.942 -3.071 -0.129 28.65
|
||||
NaHCO3 1.969e-04 2.066e-04 -3.706 -3.685 0.021 29.13
|
||||
NaCO3- 5.178e-06 3.850e-06 -5.286 -5.415 -0.129 -1.41
|
||||
O(0) 0.000e+00
|
||||
O2 0.000e+00 0.000e+00 -63.629 -63.608 0.021 30.40
|
||||
S(-2) 6.862e-22
|
||||
HS- 5.379e-22 3.784e-22 -21.269 -21.422 -0.153 21.00
|
||||
H2S 1.482e-22 1.555e-22 -21.829 -21.808 0.021 37.16
|
||||
S-2 3.313e-27 9.722e-28 -26.480 -27.012 -0.532 (0)
|
||||
O2 0.000e+00 0.000e+00 -63.512 -63.491 0.021 30.40
|
||||
S(-2) 3.984e-22
|
||||
HS- 3.125e-22 2.199e-22 -21.505 -21.658 -0.153 21.00
|
||||
H2S 8.583e-23 9.006e-23 -22.066 -22.045 0.021 37.16
|
||||
S-2 1.932e-27 5.668e-28 -26.714 -27.247 -0.532 (0)
|
||||
S(6) 8.777e-03
|
||||
SO4-2 5.507e-03 1.585e-03 -2.259 -2.800 -0.541 13.64
|
||||
MgSO4 1.757e-03 1.844e-03 -2.755 -2.734 0.021 5.84
|
||||
NaSO4- 1.141e-03 8.498e-04 -2.943 -3.071 -0.128 28.65
|
||||
CaSO4 3.391e-04 3.557e-04 -3.470 -3.449 0.021 7.50
|
||||
KSO4- 3.327e-05 2.478e-05 -4.478 -4.606 -0.128 (0)
|
||||
HSO4- 9.729e-09 7.245e-09 -8.012 -8.140 -0.128 35.57
|
||||
CaHSO4+ 1.476e-10 1.099e-10 -9.831 -9.959 -0.128 (0)
|
||||
SO4-2 5.506e-03 1.585e-03 -2.259 -2.800 -0.541 13.64
|
||||
MgSO4 1.756e-03 1.843e-03 -2.755 -2.735 0.021 5.84
|
||||
NaSO4- 1.143e-03 8.497e-04 -2.942 -3.071 -0.129 28.65
|
||||
CaSO4 3.391e-04 3.558e-04 -3.470 -3.449 0.021 7.50
|
||||
KSO4- 3.332e-05 2.478e-05 -4.477 -4.606 -0.129 (0)
|
||||
HSO4- 9.944e-09 7.219e-09 -8.002 -8.142 -0.139 35.57
|
||||
CaHSO4+ 1.471e-10 1.096e-10 -9.832 -9.960 -0.128 (0)
|
||||
Si 2.215e-05
|
||||
H4SiO4 2.205e-05 2.314e-05 -4.657 -4.636 0.021 52.08
|
||||
H3SiO4- 9.744e-08 7.256e-08 -7.011 -7.139 -0.128 28.37
|
||||
H2SiO4-2 3.414e-13 1.050e-13 -12.467 -12.979 -0.512 (0)
|
||||
H4SiO4 2.205e-05 2.313e-05 -4.657 -4.636 0.021 52.08
|
||||
H3SiO4- 1.018e-07 7.280e-08 -6.992 -7.138 -0.146 28.37
|
||||
H2SiO4-2 3.459e-13 1.057e-13 -12.461 -12.976 -0.515 (0)
|
||||
|
||||
------------------------------Saturation indices-------------------------------
|
||||
|
||||
@ -455,23 +455,23 @@ Si 2.215e-05
|
||||
Anhydrite -1.46 -5.70 -4.24 CaSO4
|
||||
Aragonite -0.28 -8.61 -8.34 CaCO3
|
||||
Calcite -0.13 -8.61 -8.48 CaCO3
|
||||
CH4(g) -21.40 -24.25 -2.84 CH4
|
||||
CH4(g) -21.64 -24.48 -2.84 CH4
|
||||
Chalcedony -1.08 -4.63 -3.55 SiO2
|
||||
Chrysotile -4.42 27.78 32.20 Mg3Si2O5(OH)4
|
||||
Chrysotile -4.41 27.79 32.20 Mg3Si2O5(OH)4
|
||||
CO2(g) -2.23 -3.69 -1.46 CO2
|
||||
Dolomite 0.46 -16.63 -17.09 CaMg(CO3)2
|
||||
Gypsum -1.12 -5.70 -4.58 CaSO4:2H2O
|
||||
H2(g) -11.29 -14.39 -3.10 H2
|
||||
H2(g) -11.35 -14.45 -3.10 H2
|
||||
H2O(g) -1.51 -0.00 1.50 H2O
|
||||
H2S(g) -20.76 -28.75 -7.99 H2S
|
||||
H2S(g) -20.99 -28.99 -7.99 H2S
|
||||
Halite -3.47 -1.89 1.58 NaCl
|
||||
O2(g) -60.72 -63.61 -2.89 O2
|
||||
O2(g) -60.60 -63.49 -2.89 O2
|
||||
Quartz -0.65 -4.63 -3.98 SiO2
|
||||
Sepiolite -4.96 10.80 15.76 Mg2Si3O7.5OH:3H2O
|
||||
Sepiolite(d) -7.86 10.80 18.66 Mg2Si3O7.5OH:3H2O
|
||||
SiO2(a) -1.92 -4.63 -2.71 SiO2
|
||||
Sulfur -15.45 -10.57 4.88 S
|
||||
Talc -2.88 18.52 21.40 Mg3Si4O10(OH)2
|
||||
Sulfur -15.63 -10.75 4.88 S
|
||||
Talc -2.87 18.53 21.40 Mg3Si4O10(OH)2
|
||||
|
||||
|
||||
------------------
|
||||
@ -508,18 +508,18 @@ Using pure phase assemblage 1.
|
||||
Moles in assemblage
|
||||
Phase SI log IAP log K(T, P) Initial Final Delta
|
||||
|
||||
Calcite -0.00 -8.48 -8.48 1.000e+01 9.984e+00 -1.561e-02
|
||||
Dolomite -0.00 -17.09 -17.09 1.000e+01 1.001e+01 7.877e-03
|
||||
Calcite 0.00 -8.48 -8.48 1.000e+01 9.984e+00 -1.560e-02
|
||||
Dolomite 0.00 -17.09 -17.09 1.000e+01 1.001e+01 7.875e-03
|
||||
|
||||
-----------------------------Solution composition------------------------------
|
||||
|
||||
Elements Molality Moles
|
||||
|
||||
C 3.067e-03 3.066e-03
|
||||
C 3.065e-03 3.065e-03
|
||||
Ca 1.209e-02 1.209e-02
|
||||
Cl 1.697e-01 1.697e-01
|
||||
K 3.173e-03 3.173e-03
|
||||
Mg 8.643e-03 8.643e-03
|
||||
Mg 8.645e-03 8.645e-03
|
||||
Na 1.456e-01 1.456e-01
|
||||
S 8.777e-03 8.777e-03
|
||||
Si 2.215e-05 2.215e-05
|
||||
@ -527,86 +527,85 @@ Dolomite -0.00 -17.09 -17.09 1.000e+01 1.001e+01 7.877e-03
|
||||
----------------------------Description of solution----------------------------
|
||||
|
||||
pH = 7.060 Charge balance
|
||||
pe = -1.497 Adjusted to redox equilibrium
|
||||
pe = 10.778 Adjusted to redox equilibrium
|
||||
Specific Conductance (uS/cm, 25 oC) = 18726
|
||||
Density (g/cm3) = 1.00532
|
||||
Density (g/cm3) = 1.00531
|
||||
Volume (L) = 1.00655
|
||||
Activity of water = 0.994
|
||||
Ionic strength = 2.091e-01
|
||||
Ionic strength = 2.090e-01
|
||||
Mass of water (kg) = 1.000e+00
|
||||
Total alkalinity (eq/kg) = 2.750e-03
|
||||
Total CO2 (mol/kg) = 3.067e-03
|
||||
Total alkalinity (eq/kg) = 2.749e-03
|
||||
Total CO2 (mol/kg) = 3.065e-03
|
||||
Temperature (deg C) = 25.00
|
||||
Electrical balance (eq) = 2.390e-04
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.06
|
||||
Iterations = 5
|
||||
Iterations = 13
|
||||
Total H = 1.110131e+02
|
||||
Total O = 5.554922e+01
|
||||
Total O = 5.554921e+01
|
||||
|
||||
----------------------------Distribution of species----------------------------
|
||||
|
||||
Log Log Log mole V
|
||||
Species Molality Activity Molality Activity Gamma cm3/mol
|
||||
|
||||
OH- 1.626e-07 1.144e-07 -6.789 -6.942 -0.153 -3.34
|
||||
H+ 1.094e-07 8.710e-08 -6.961 -7.060 -0.099 0.00
|
||||
OH- 1.628e-07 1.145e-07 -6.788 -6.941 -0.153 -3.34
|
||||
H+ 1.093e-07 8.701e-08 -6.961 -7.060 -0.099 0.00
|
||||
H2O 5.551e+01 9.941e-01 1.744 -0.003 0.000 18.07
|
||||
C(-4) 2.557e-24
|
||||
CH4 2.557e-24 2.683e-24 -23.592 -23.571 0.021 32.22
|
||||
C(4) 3.067e-03
|
||||
HCO3- 2.367e-03 1.759e-03 -2.626 -2.755 -0.129 25.45
|
||||
CO2 3.303e-04 3.466e-04 -3.481 -3.460 0.021 30.26
|
||||
NaHCO3 1.793e-04 1.882e-04 -3.746 -3.725 0.021 29.13
|
||||
CaHCO3+ 1.056e-04 7.849e-05 -3.976 -4.105 -0.129 10.08
|
||||
MgHCO3+ 7.160e-05 5.332e-05 -4.145 -4.273 -0.128 5.88
|
||||
C(-4) 0.000e+00
|
||||
CH4 0.000e+00 0.000e+00 -121.791 -121.771 0.021 32.22
|
||||
C(4) 3.065e-03
|
||||
HCO3- 2.364e-03 1.758e-03 -2.626 -2.755 -0.129 25.45
|
||||
CO2 3.297e-04 3.459e-04 -3.482 -3.461 0.021 30.26
|
||||
NaHCO3 1.792e-04 1.880e-04 -3.747 -3.726 0.021 29.13
|
||||
CaHCO3+ 1.040e-04 7.842e-05 -3.983 -4.106 -0.123 10.08
|
||||
MgHCO3+ 7.450e-05 5.327e-05 -4.128 -4.274 -0.146 5.88
|
||||
CaCO3 5.303e-06 5.565e-06 -5.275 -5.255 0.021 -14.60
|
||||
CO3-2 3.101e-06 9.473e-07 -5.508 -6.023 -0.515 -2.28
|
||||
NaCO3- 2.534e-06 1.887e-06 -5.596 -5.724 -0.128 -1.41
|
||||
CO3-2 3.102e-06 9.474e-07 -5.508 -6.023 -0.515 -2.28
|
||||
NaCO3- 2.538e-06 1.887e-06 -5.596 -5.724 -0.129 -1.41
|
||||
MgCO3 2.231e-06 2.341e-06 -5.651 -5.631 0.021 -17.09
|
||||
Ca 1.209e-02
|
||||
Ca+2 1.101e-02 3.497e-03 -1.958 -2.456 -0.498 -16.77
|
||||
CaSO4 9.654e-04 1.013e-03 -3.015 -2.994 0.021 7.50
|
||||
CaHCO3+ 1.056e-04 7.849e-05 -3.976 -4.105 -0.129 10.08
|
||||
Ca+2 1.101e-02 3.497e-03 -1.958 -2.456 -0.498 -16.72
|
||||
CaSO4 9.651e-04 1.013e-03 -3.015 -2.995 0.021 7.50
|
||||
CaHCO3+ 1.040e-04 7.842e-05 -3.983 -4.106 -0.123 10.08
|
||||
CaCO3 5.303e-06 5.565e-06 -5.275 -5.255 0.021 -14.60
|
||||
CaOH+ 8.895e-09 6.624e-09 -8.051 -8.179 -0.128 (0)
|
||||
CaHSO4+ 7.788e-10 5.799e-10 -9.109 -9.237 -0.128 (0)
|
||||
CaOH+ 8.793e-09 6.630e-09 -8.056 -8.179 -0.123 (0)
|
||||
CaHSO4+ 7.778e-10 5.792e-10 -9.109 -9.237 -0.128 (0)
|
||||
Cl 1.697e-01
|
||||
Cl- 1.697e-01 1.202e-01 -0.770 -0.920 -0.150 18.46
|
||||
H(0) 1.008e-14
|
||||
H2 5.040e-15 5.289e-15 -14.298 -14.277 0.021 28.61
|
||||
H(0) 2.844e-39
|
||||
H2 1.422e-39 1.492e-39 -38.847 -38.826 0.021 28.61
|
||||
K 3.173e-03
|
||||
K+ 3.139e-03 2.224e-03 -2.503 -2.653 -0.150 9.36
|
||||
KSO4- 3.418e-05 2.545e-05 -4.466 -4.594 -0.128 (0)
|
||||
KOH 8.387e-11 8.801e-11 -10.076 -10.055 0.021 (0)
|
||||
Mg 8.643e-03
|
||||
Mg+2 7.627e-03 2.590e-03 -2.118 -2.587 -0.469 -20.84
|
||||
MgSO4 9.427e-04 9.891e-04 -3.026 -3.005 0.021 5.84
|
||||
MgHCO3+ 7.160e-05 5.332e-05 -4.145 -4.273 -0.128 5.88
|
||||
KSO4- 3.423e-05 2.545e-05 -4.466 -4.594 -0.129 (0)
|
||||
Mg 8.645e-03
|
||||
Mg+2 7.626e-03 2.590e-03 -2.118 -2.587 -0.469 -20.79
|
||||
MgSO4 9.424e-04 9.889e-04 -3.026 -3.005 0.021 5.84
|
||||
MgHCO3+ 7.450e-05 5.327e-05 -4.128 -4.274 -0.146 5.88
|
||||
MgCO3 2.231e-06 2.341e-06 -5.651 -5.631 0.021 -17.09
|
||||
MgOH+ 1.441e-07 1.073e-07 -6.841 -6.969 -0.128 (0)
|
||||
MgOH+ 1.410e-07 1.074e-07 -6.851 -6.969 -0.118 (0)
|
||||
Na 1.456e-01
|
||||
Na+ 1.443e-01 1.070e-01 -0.841 -0.971 -0.130 -0.87
|
||||
NaSO4- 1.173e-03 8.732e-04 -2.931 -3.059 -0.128 28.65
|
||||
NaHCO3 1.793e-04 1.882e-04 -3.746 -3.725 0.021 29.13
|
||||
NaCO3- 2.534e-06 1.887e-06 -5.596 -5.724 -0.128 -1.41
|
||||
NaOH 1.166e-18 1.223e-18 -17.933 -17.912 0.021 (0)
|
||||
O(0) 0.000e+00
|
||||
O2 0.000e+00 0.000e+00 -63.853 -63.832 0.021 30.40
|
||||
S(-2) 4.341e-21
|
||||
HS- 2.874e-21 2.021e-21 -20.542 -20.694 -0.153 21.00
|
||||
H2S 1.467e-21 1.539e-21 -20.834 -20.813 0.021 37.16
|
||||
S-2 9.558e-27 2.803e-27 -26.020 -26.552 -0.533 (0)
|
||||
Na+ 1.443e-01 1.069e-01 -0.841 -0.971 -0.130 -0.84
|
||||
NaSO4- 1.174e-03 8.730e-04 -2.930 -3.059 -0.129 28.65
|
||||
NaHCO3 1.792e-04 1.880e-04 -3.747 -3.726 0.021 29.13
|
||||
NaCO3- 2.538e-06 1.887e-06 -5.596 -5.724 -0.129 -1.41
|
||||
O(0) 3.527e-15
|
||||
O2 1.764e-15 1.851e-15 -14.754 -14.733 0.021 30.40
|
||||
S(-2) 0.000e+00
|
||||
HS- 0.000e+00 0.000e+00 -118.740 -118.893 -0.153 21.00
|
||||
H2S 0.000e+00 0.000e+00 -119.033 -119.012 0.021 37.16
|
||||
S-2 0.000e+00 0.000e+00 -124.218 -124.751 -0.533 (0)
|
||||
S(6) 8.777e-03
|
||||
SO4-2 5.663e-03 1.629e-03 -2.247 -2.788 -0.541 13.64
|
||||
NaSO4- 1.173e-03 8.732e-04 -2.931 -3.059 -0.128 28.65
|
||||
CaSO4 9.654e-04 1.013e-03 -3.015 -2.994 0.021 7.50
|
||||
MgSO4 9.427e-04 9.891e-04 -3.026 -3.005 0.021 5.84
|
||||
KSO4- 3.418e-05 2.545e-05 -4.466 -4.594 -0.128 (0)
|
||||
HSO4- 1.852e-08 1.379e-08 -7.732 -7.860 -0.128 35.57
|
||||
CaHSO4+ 7.788e-10 5.799e-10 -9.109 -9.237 -0.128 (0)
|
||||
SO4-2 5.661e-03 1.629e-03 -2.247 -2.788 -0.541 13.64
|
||||
NaSO4- 1.174e-03 8.730e-04 -2.930 -3.059 -0.129 28.65
|
||||
CaSO4 9.651e-04 1.013e-03 -3.015 -2.995 0.021 7.50
|
||||
MgSO4 9.424e-04 9.889e-04 -3.026 -3.005 0.021 5.84
|
||||
KSO4- 3.423e-05 2.545e-05 -4.466 -4.594 -0.129 (0)
|
||||
HSO4- 1.898e-08 1.378e-08 -7.722 -7.861 -0.139 35.57
|
||||
CaHSO4+ 7.778e-10 5.792e-10 -9.109 -9.237 -0.128 (0)
|
||||
Si 2.215e-05
|
||||
H4SiO4 2.209e-05 2.318e-05 -4.656 -4.635 0.021 52.08
|
||||
H3SiO4- 5.271e-08 3.925e-08 -7.278 -7.406 -0.128 28.38
|
||||
H2SiO4-2 9.969e-14 3.065e-14 -13.001 -13.514 -0.512 (0)
|
||||
H3SiO4- 5.494e-08 3.928e-08 -7.260 -7.406 -0.146 28.38
|
||||
H2SiO4-2 1.005e-13 3.071e-14 -12.998 -13.513 -0.515 (0)
|
||||
|
||||
------------------------------Saturation indices-------------------------------
|
||||
|
||||
@ -614,23 +613,23 @@ Si 2.215e-05
|
||||
|
||||
Anhydrite -1.00 -5.24 -4.24 CaSO4
|
||||
Aragonite -0.14 -8.48 -8.34 CaCO3
|
||||
Calcite -0.00 -8.48 -8.48 CaCO3
|
||||
CH4(g) -20.73 -23.57 -2.84 CH4
|
||||
Calcite 0.00 -8.48 -8.48 CaCO3
|
||||
CH4(g) -118.93 -121.77 -2.84 CH4
|
||||
Chalcedony -1.08 -4.63 -3.55 SiO2
|
||||
Chrysotile -6.87 25.33 32.20 Mg3Si2O5(OH)4
|
||||
CO2(g) -2.00 -3.46 -1.46 CO2
|
||||
Dolomite -0.00 -17.09 -17.09 CaMg(CO3)2
|
||||
Dolomite 0.00 -17.09 -17.09 CaMg(CO3)2
|
||||
Gypsum -0.67 -5.25 -4.58 CaSO4:2H2O
|
||||
H2(g) -11.18 -14.28 -3.10 H2
|
||||
H2(g) -35.73 -38.83 -3.10 H2
|
||||
H2O(g) -1.51 -0.00 1.50 H2O
|
||||
H2S(g) -19.76 -27.75 -7.99 H2S
|
||||
H2S(g) -117.96 -125.95 -7.99 H2S
|
||||
Halite -3.47 -1.89 1.58 NaCl
|
||||
O2(g) -60.94 -63.83 -2.89 O2
|
||||
O2(g) -11.84 -14.73 -2.89 O2
|
||||
Quartz -0.65 -4.63 -3.98 SiO2
|
||||
Sepiolite -6.60 9.16 15.76 Mg2Si3O7.5OH:3H2O
|
||||
Sepiolite(d) -9.50 9.16 18.66 Mg2Si3O7.5OH:3H2O
|
||||
Sepiolite -6.59 9.17 15.76 Mg2Si3O7.5OH:3H2O
|
||||
Sepiolite(d) -9.49 9.17 18.66 Mg2Si3O7.5OH:3H2O
|
||||
SiO2(a) -1.92 -4.63 -2.71 SiO2
|
||||
Sulfur -14.57 -9.69 4.88 S
|
||||
Sulfur -88.22 -83.34 4.88 S
|
||||
Talc -5.33 16.07 21.40 Mg3Si4O10(OH)2
|
||||
|
||||
|
||||
@ -667,14 +666,14 @@ Using pure phase assemblage 2.
|
||||
Moles in assemblage
|
||||
Phase SI log IAP log K(T, P) Initial Final Delta
|
||||
|
||||
Calcite -0.00 -8.48 -8.48 1.000e+01 1.000e+01 -5.070e-05
|
||||
Calcite 0.00 -8.48 -8.48 1.000e+01 1.000e+01 -5.027e-05
|
||||
|
||||
-----------------------------Solution composition------------------------------
|
||||
|
||||
Elements Molality Moles
|
||||
|
||||
C 3.263e-03 3.263e-03
|
||||
Ca 4.409e-03 4.409e-03
|
||||
C 3.261e-03 3.261e-03
|
||||
Ca 4.408e-03 4.408e-03
|
||||
Cl 1.697e-01 1.697e-01
|
||||
K 3.173e-03 3.173e-03
|
||||
Mg 1.652e-02 1.652e-02
|
||||
@ -685,86 +684,85 @@ Calcite -0.00 -8.48 -8.48 1.000e+01 1.000e+01 -5.070e-05
|
||||
----------------------------Description of solution----------------------------
|
||||
|
||||
pH = 7.445 Charge balance
|
||||
pe = -1.880 Adjusted to redox equilibrium
|
||||
Specific Conductance (uS/cm, 25 oC) = 18679
|
||||
Density (g/cm3) = 1.00525
|
||||
pe = 10.394 Adjusted to redox equilibrium
|
||||
Specific Conductance (uS/cm, 25 oC) = 18678
|
||||
Density (g/cm3) = 1.00524
|
||||
Volume (L) = 1.00653
|
||||
Activity of water = 0.994
|
||||
Ionic strength = 2.089e-01
|
||||
Ionic strength = 2.088e-01
|
||||
Mass of water (kg) = 1.000e+00
|
||||
Total alkalinity (eq/kg) = 3.143e-03
|
||||
Total CO2 (mol/kg) = 3.263e-03
|
||||
Total alkalinity (eq/kg) = 3.142e-03
|
||||
Total CO2 (mol/kg) = 3.261e-03
|
||||
Temperature (deg C) = 25.00
|
||||
Electrical balance (eq) = 2.390e-04
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.06
|
||||
Iterations = 5
|
||||
Iterations = 12
|
||||
Total H = 1.110131e+02
|
||||
Total O = 5.554981e+01
|
||||
Total O = 5.554980e+01
|
||||
|
||||
----------------------------Distribution of species----------------------------
|
||||
|
||||
Log Log Log mole V
|
||||
Species Molality Activity Molality Activity Gamma cm3/mol
|
||||
|
||||
OH- 3.942e-07 2.773e-07 -6.404 -6.557 -0.153 -3.34
|
||||
H+ 4.514e-08 3.593e-08 -7.345 -7.445 -0.099 0.00
|
||||
OH- 3.951e-07 2.779e-07 -6.403 -6.556 -0.153 -3.34
|
||||
H+ 4.504e-08 3.585e-08 -7.346 -7.445 -0.099 0.00
|
||||
H2O 5.551e+01 9.941e-01 1.744 -0.003 0.000 18.07
|
||||
C(-4) 1.169e-24
|
||||
CH4 1.169e-24 1.226e-24 -23.932 -23.911 0.021 32.22
|
||||
C(4) 3.263e-03
|
||||
HCO3- 2.675e-03 1.989e-03 -2.573 -2.701 -0.129 25.45
|
||||
NaHCO3 2.028e-04 2.127e-04 -3.693 -3.672 0.021 29.13
|
||||
MgHCO3+ 1.550e-04 1.154e-04 -3.810 -3.938 -0.128 5.88
|
||||
CO2 1.540e-04 1.616e-04 -3.812 -3.792 0.021 30.26
|
||||
CaHCO3+ 4.355e-05 3.238e-05 -4.361 -4.490 -0.129 10.07
|
||||
MgCO3 1.171e-05 1.229e-05 -4.931 -4.911 0.021 -17.09
|
||||
CO3-2 8.497e-06 2.596e-06 -5.071 -5.586 -0.515 -2.28
|
||||
NaCO3- 6.944e-06 5.171e-06 -5.158 -5.286 -0.128 -1.41
|
||||
C(-4) 0.000e+00
|
||||
CH4 0.000e+00 0.000e+00 -122.135 -122.115 0.021 32.22
|
||||
C(4) 3.261e-03
|
||||
HCO3- 2.669e-03 1.985e-03 -2.574 -2.702 -0.129 25.45
|
||||
NaHCO3 2.023e-04 2.123e-04 -3.694 -3.673 0.021 29.13
|
||||
MgHCO3+ 1.610e-04 1.151e-04 -3.793 -3.939 -0.146 5.88
|
||||
CO2 1.534e-04 1.609e-04 -3.814 -3.793 0.021 30.26
|
||||
CaHCO3+ 4.285e-05 3.231e-05 -4.368 -4.491 -0.123 10.07
|
||||
MgCO3 1.170e-05 1.228e-05 -4.932 -4.911 0.021 -17.09
|
||||
CO3-2 8.496e-06 2.596e-06 -5.071 -5.586 -0.515 -2.28
|
||||
NaCO3- 6.955e-06 5.171e-06 -5.158 -5.286 -0.129 -1.41
|
||||
CaCO3 5.304e-06 5.565e-06 -5.275 -5.255 0.021 -14.60
|
||||
Ca 4.409e-03
|
||||
Ca+2 4.017e-03 1.276e-03 -2.396 -2.894 -0.498 -16.77
|
||||
Ca 4.408e-03
|
||||
Ca+2 4.017e-03 1.276e-03 -2.396 -2.894 -0.498 -16.72
|
||||
CaSO4 3.426e-04 3.595e-04 -3.465 -3.444 0.021 7.50
|
||||
CaHCO3+ 4.355e-05 3.238e-05 -4.361 -4.490 -0.129 10.07
|
||||
CaHCO3+ 4.285e-05 3.231e-05 -4.368 -4.491 -0.123 10.07
|
||||
CaCO3 5.304e-06 5.565e-06 -5.275 -5.255 0.021 -14.60
|
||||
CaOH+ 7.868e-09 5.859e-09 -8.104 -8.232 -0.128 (0)
|
||||
CaHSO4+ 1.140e-10 8.489e-11 -9.943 -10.071 -0.128 (0)
|
||||
CaOH+ 7.787e-09 5.872e-09 -8.109 -8.231 -0.123 (0)
|
||||
CaHSO4+ 1.138e-10 8.471e-11 -9.944 -10.072 -0.128 (0)
|
||||
Cl 1.697e-01
|
||||
Cl- 1.697e-01 1.202e-01 -0.770 -0.920 -0.150 18.46
|
||||
H(0) 1.003e-14
|
||||
H2 5.015e-15 5.262e-15 -14.300 -14.279 0.021 28.61
|
||||
H(0) 2.825e-39
|
||||
H2 1.412e-39 1.482e-39 -38.850 -38.829 0.021 28.61
|
||||
K 3.173e-03
|
||||
K+ 3.140e-03 2.225e-03 -2.503 -2.653 -0.150 9.36
|
||||
KSO4- 3.326e-05 2.477e-05 -4.478 -4.606 -0.128 (0)
|
||||
KOH 2.034e-10 2.134e-10 -9.692 -9.671 0.021 (0)
|
||||
KSO4- 3.331e-05 2.476e-05 -4.477 -4.606 -0.129 (0)
|
||||
Mg 1.652e-02
|
||||
Mg+2 1.460e-02 4.959e-03 -1.836 -2.305 -0.469 -20.84
|
||||
MgSO4 1.755e-03 1.842e-03 -2.756 -2.735 0.021 5.84
|
||||
MgHCO3+ 1.550e-04 1.154e-04 -3.810 -3.938 -0.128 5.88
|
||||
MgCO3 1.171e-05 1.229e-05 -4.931 -4.911 0.021 -17.09
|
||||
MgOH+ 6.690e-07 4.982e-07 -6.175 -6.303 -0.128 (0)
|
||||
Mg+2 1.459e-02 4.957e-03 -1.836 -2.305 -0.469 -20.79
|
||||
MgSO4 1.755e-03 1.841e-03 -2.756 -2.735 0.021 5.84
|
||||
MgHCO3+ 1.610e-04 1.151e-04 -3.793 -3.939 -0.146 5.88
|
||||
MgCO3 1.170e-05 1.228e-05 -4.932 -4.911 0.021 -17.09
|
||||
MgOH+ 6.548e-07 4.990e-07 -6.184 -6.302 -0.118 (0)
|
||||
Na 1.456e-01
|
||||
Na+ 1.443e-01 1.070e-01 -0.841 -0.971 -0.130 -0.87
|
||||
NaSO4- 1.141e-03 8.494e-04 -2.943 -3.071 -0.128 28.65
|
||||
NaHCO3 2.028e-04 2.127e-04 -3.693 -3.672 0.021 29.13
|
||||
NaCO3- 6.944e-06 5.171e-06 -5.158 -5.286 -0.128 -1.41
|
||||
NaOH 2.827e-18 2.966e-18 -17.549 -17.528 0.021 (0)
|
||||
O(0) 0.000e+00
|
||||
O2 0.000e+00 0.000e+00 -63.848 -63.827 0.021 30.40
|
||||
S(-2) 1.368e-21
|
||||
HS- 1.130e-21 7.949e-22 -20.947 -21.100 -0.153 21.00
|
||||
H2S 2.380e-22 2.497e-22 -21.624 -21.603 0.021 37.16
|
||||
S-2 9.109e-27 2.672e-27 -26.041 -26.573 -0.533 (0)
|
||||
Na+ 1.443e-01 1.070e-01 -0.841 -0.971 -0.130 -0.84
|
||||
NaSO4- 1.142e-03 8.493e-04 -2.942 -3.071 -0.129 28.65
|
||||
NaHCO3 2.023e-04 2.123e-04 -3.694 -3.673 0.021 29.13
|
||||
NaCO3- 6.955e-06 5.171e-06 -5.158 -5.286 -0.129 -1.41
|
||||
O(0) 3.575e-15
|
||||
O2 1.788e-15 1.876e-15 -14.748 -14.727 0.021 30.40
|
||||
S(-2) 0.000e+00
|
||||
HS- 0.000e+00 0.000e+00 -119.149 -119.302 -0.153 21.00
|
||||
H2S 0.000e+00 0.000e+00 -119.827 -119.806 0.021 37.16
|
||||
S-2 0.000e+00 0.000e+00 -124.242 -124.775 -0.533 (0)
|
||||
S(6) 8.777e-03
|
||||
SO4-2 5.506e-03 1.584e-03 -2.259 -2.800 -0.541 13.64
|
||||
MgSO4 1.755e-03 1.842e-03 -2.756 -2.735 0.021 5.84
|
||||
NaSO4- 1.141e-03 8.494e-04 -2.943 -3.071 -0.128 28.65
|
||||
SO4-2 5.505e-03 1.584e-03 -2.259 -2.800 -0.541 13.64
|
||||
MgSO4 1.755e-03 1.841e-03 -2.756 -2.735 0.021 5.84
|
||||
NaSO4- 1.142e-03 8.493e-04 -2.942 -3.071 -0.129 28.65
|
||||
CaSO4 3.426e-04 3.595e-04 -3.465 -3.444 0.021 7.50
|
||||
KSO4- 3.326e-05 2.477e-05 -4.478 -4.606 -0.128 (0)
|
||||
HSO4- 7.432e-09 5.534e-09 -8.129 -8.257 -0.128 35.57
|
||||
CaHSO4+ 1.140e-10 8.489e-11 -9.943 -10.071 -0.128 (0)
|
||||
KSO4- 3.331e-05 2.476e-05 -4.477 -4.606 -0.129 (0)
|
||||
HSO4- 7.607e-09 5.522e-09 -8.119 -8.258 -0.139 35.57
|
||||
CaHSO4+ 1.138e-10 8.471e-11 -9.944 -10.072 -0.128 (0)
|
||||
Si 2.215e-05
|
||||
H4SiO4 2.202e-05 2.310e-05 -4.657 -4.636 0.021 52.08
|
||||
H3SiO4- 1.273e-07 9.483e-08 -6.895 -7.023 -0.128 28.37
|
||||
H2SiO4-2 5.838e-13 1.795e-13 -12.234 -12.746 -0.512 (0)
|
||||
H4SiO4 2.201e-05 2.310e-05 -4.657 -4.636 0.021 52.08
|
||||
H3SiO4- 1.329e-07 9.500e-08 -6.877 -7.022 -0.146 28.37
|
||||
H2SiO4-2 5.899e-13 1.803e-13 -12.229 -12.744 -0.515 (0)
|
||||
|
||||
------------------------------Saturation indices-------------------------------
|
||||
|
||||
@ -772,23 +770,23 @@ Si 2.215e-05
|
||||
|
||||
Anhydrite -1.45 -5.69 -4.24 CaSO4
|
||||
Aragonite -0.14 -8.48 -8.34 CaCO3
|
||||
Calcite -0.00 -8.48 -8.48 CaCO3
|
||||
CH4(g) -21.07 -23.91 -2.84 CH4
|
||||
Calcite 0.00 -8.48 -8.48 CaCO3
|
||||
CH4(g) -119.27 -122.11 -2.84 CH4
|
||||
Chalcedony -1.08 -4.63 -3.55 SiO2
|
||||
Chrysotile -3.72 28.48 32.20 Mg3Si2O5(OH)4
|
||||
CO2(g) -2.33 -3.79 -1.46 CO2
|
||||
Dolomite 0.72 -16.37 -17.09 CaMg(CO3)2
|
||||
Gypsum -1.12 -5.70 -4.58 CaSO4:2H2O
|
||||
H2(g) -11.18 -14.28 -3.10 H2
|
||||
H2(g) -35.73 -38.83 -3.10 H2
|
||||
H2O(g) -1.51 -0.00 1.50 H2O
|
||||
H2S(g) -20.55 -28.54 -7.99 H2S
|
||||
H2S(g) -118.76 -126.75 -7.99 H2S
|
||||
Halite -3.47 -1.89 1.58 NaCl
|
||||
O2(g) -60.94 -63.83 -2.89 O2
|
||||
O2(g) -11.83 -14.73 -2.89 O2
|
||||
Quartz -0.65 -4.63 -3.98 SiO2
|
||||
Sepiolite -4.50 11.26 15.76 Mg2Si3O7.5OH:3H2O
|
||||
Sepiolite(d) -7.40 11.26 18.66 Mg2Si3O7.5OH:3H2O
|
||||
SiO2(a) -1.92 -4.63 -2.71 SiO2
|
||||
Sulfur -15.36 -10.47 4.88 S
|
||||
Sulfur -89.01 -84.13 4.88 S
|
||||
Talc -2.18 19.22 21.40 Mg3Si4O10(OH)2
|
||||
|
||||
|
||||
@ -801,6 +799,6 @@ Reading input data for simulation 6.
|
||||
------------------------------------
|
||||
|
||||
------------------------------
|
||||
End of Run after 0.03 Seconds.
|
||||
End of Run after 0.02 Seconds.
|
||||
------------------------------
|
||||
|
||||
|
||||
61
ex4.out
61
ex4.out
@ -70,6 +70,7 @@ Initial solution 1. Precipitation from Central Oklahoma
|
||||
pe = 4.000
|
||||
Specific Conductance (uS/cm, 25 oC) = 16
|
||||
Density (g/cm3) = 0.99705
|
||||
Volume (L) = 1.00297
|
||||
Activity of water = 1.000
|
||||
Ionic strength = 8.839e-05
|
||||
Mass of water (kg) = 1.000e+00
|
||||
@ -105,7 +106,7 @@ C(4) 1.112e-05
|
||||
CO3-2 2.388e-13 2.286e-13 -12.622 -12.641 -0.019 -4.07
|
||||
CaCO3 3.515e-15 3.515e-15 -14.454 -14.454 0.000 -14.60
|
||||
MgCO3 3.684e-16 3.684e-16 -15.434 -15.434 0.000 -17.09
|
||||
NaCO3- 2.611e-17 2.582e-17 -16.583 -16.588 -0.005 -2.89
|
||||
NaCO3- 2.610e-17 2.582e-17 -16.583 -16.588 -0.005 -2.89
|
||||
Ca 9.581e-06
|
||||
Ca+2 9.560e-06 9.153e-06 -5.020 -5.038 -0.019 -17.52
|
||||
CaSO4 2.098e-08 2.098e-08 -7.678 -7.678 0.000 7.50
|
||||
@ -120,7 +121,6 @@ H(0) 1.416e-20
|
||||
K 9.207e-07
|
||||
K+ 9.206e-07 9.106e-07 -6.036 -6.041 -0.005 8.91
|
||||
KSO4- 8.338e-11 8.248e-11 -10.079 -10.084 -0.005 (0)
|
||||
KOH 9.984e-17 9.984e-17 -16.001 -16.001 0.000 (0)
|
||||
Mg 1.769e-06
|
||||
Mg+2 1.764e-06 1.689e-06 -5.754 -5.772 -0.019 -21.60
|
||||
MgSO4 5.103e-09 5.103e-09 -8.292 -8.292 0.000 5.84
|
||||
@ -137,8 +137,7 @@ Na 6.133e-06
|
||||
Na+ 6.133e-06 6.066e-06 -5.212 -5.217 -0.005 -1.22
|
||||
NaSO4- 3.962e-10 3.919e-10 -9.402 -9.407 -0.005 27.25
|
||||
NaHCO3 9.351e-13 9.351e-13 -12.029 -12.029 0.000 29.13
|
||||
NaCO3- 2.611e-17 2.582e-17 -16.583 -16.588 -0.005 -2.89
|
||||
NaOH 1.923e-25 1.923e-25 -24.716 -24.716 0.000 (0)
|
||||
NaCO3- 2.610e-17 2.582e-17 -16.583 -16.588 -0.005 -2.89
|
||||
O(0) 0.000e+00
|
||||
O2 0.000e+00 0.000e+00 -52.080 -52.080 0.000 30.40
|
||||
S(6) 1.353e-05
|
||||
@ -210,6 +209,7 @@ Reaction 1.
|
||||
pe = 16.529 Adjusted to redox equilibrium
|
||||
Specific Conductance (uS/cm, 25 oC) = 342
|
||||
Density (g/cm3) = 0.99709
|
||||
Volume (L) = 0.05017
|
||||
Activity of water = 1.000
|
||||
Ionic strength = 1.531e-03
|
||||
Mass of water (kg) = 5.002e-02
|
||||
@ -218,7 +218,7 @@ Reaction 1.
|
||||
Temperature (deg C) = 25.00
|
||||
Electrical balance (eq) = 2.581e-05
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 24.28
|
||||
Iterations = 30
|
||||
Iterations = 32
|
||||
Total H = 5.552525e+00
|
||||
Total O = 2.776344e+00
|
||||
|
||||
@ -241,13 +241,13 @@ C(4) 2.222e-04
|
||||
CO3-2 1.090e-14 9.176e-15 -13.963 -14.037 -0.075 -3.95
|
||||
CaCO3 2.409e-15 2.410e-15 -14.618 -14.618 0.000 -14.60
|
||||
MgCO3 2.505e-16 2.506e-16 -15.601 -15.601 0.000 -17.09
|
||||
NaCO3- 2.093e-17 2.004e-17 -16.679 -16.698 -0.019 -2.86
|
||||
NaCO3- 2.092e-17 2.004e-17 -16.679 -16.698 -0.019 -2.86
|
||||
Ca 1.916e-04
|
||||
Ca+2 1.857e-04 1.564e-04 -3.731 -3.806 -0.075 -17.43
|
||||
Ca+2 1.857e-04 1.564e-04 -3.731 -3.806 -0.075 -17.42
|
||||
CaSO4 5.802e-06 5.804e-06 -5.236 -5.236 0.000 7.50
|
||||
CaHSO4+ 2.832e-08 2.711e-08 -7.548 -7.567 -0.019 (0)
|
||||
CaHCO3+ 2.895e-10 2.774e-10 -9.538 -9.557 -0.019 9.68
|
||||
CaOH+ 3.814e-14 3.651e-14 -13.419 -13.438 -0.019 (0)
|
||||
CaOH+ 3.810e-14 3.651e-14 -13.419 -13.438 -0.019 (0)
|
||||
CaCO3 2.409e-15 2.410e-15 -14.618 -14.618 0.000 -14.60
|
||||
Cl 1.331e-04
|
||||
Cl- 1.331e-04 1.274e-04 -3.876 -3.895 -0.019 18.07
|
||||
@ -255,13 +255,12 @@ H(0) 0.000e+00
|
||||
H2 0.000e+00 0.000e+00 -42.506 -42.506 0.000 28.61
|
||||
K 1.841e-05
|
||||
K+ 1.838e-05 1.759e-05 -4.736 -4.755 -0.019 8.94
|
||||
KSO4- 2.695e-08 2.580e-08 -7.569 -7.588 -0.019 (0)
|
||||
KOH 8.579e-17 8.582e-17 -16.067 -16.066 0.000 (0)
|
||||
KSO4- 2.693e-08 2.580e-08 -7.570 -7.588 -0.019 (0)
|
||||
Mg 3.536e-05
|
||||
Mg+2 3.396e-05 2.863e-05 -4.469 -4.543 -0.074 -21.51
|
||||
MgSO4 1.400e-06 1.401e-06 -5.854 -5.854 0.000 5.84
|
||||
MgHCO3+ 4.865e-11 4.657e-11 -10.313 -10.332 -0.019 5.48
|
||||
MgOH+ 1.528e-13 1.462e-13 -12.816 -12.835 -0.019 (0)
|
||||
MgOH+ 1.526e-13 1.462e-13 -12.817 -12.835 -0.018 (0)
|
||||
MgCO3 2.505e-16 2.506e-16 -15.601 -15.601 0.000 -17.09
|
||||
N(-3) 0.000e+00
|
||||
NH4+ 0.000e+00 0.000e+00 -48.437 -48.457 -0.019 18.02
|
||||
@ -275,10 +274,9 @@ N(5) 1.601e-04
|
||||
NO3- 1.601e-04 1.532e-04 -3.796 -3.815 -0.019 29.46
|
||||
Na 1.226e-04
|
||||
Na+ 1.225e-04 1.173e-04 -3.912 -3.931 -0.019 -1.19
|
||||
NaSO4- 1.282e-07 1.227e-07 -6.892 -6.911 -0.019 27.29
|
||||
NaSO4- 1.281e-07 1.227e-07 -6.892 -6.911 -0.019 27.29
|
||||
NaHCO3 1.630e-11 1.631e-11 -10.788 -10.788 0.000 29.13
|
||||
NaCO3- 2.093e-17 2.004e-17 -16.679 -16.698 -0.019 -2.86
|
||||
NaOH 1.653e-25 1.654e-25 -24.782 -24.781 0.000 (0)
|
||||
NaCO3- 2.092e-17 2.004e-17 -16.679 -16.698 -0.019 -2.86
|
||||
O(0) 8.551e-08
|
||||
O2 4.276e-08 4.277e-08 -7.369 -7.369 0.000 30.40
|
||||
S(-2) 0.000e+00
|
||||
@ -287,12 +285,12 @@ S(-2) 0.000e+00
|
||||
S-2 0.000e+00 0.000e+00 -140.296 -140.371 -0.075 (0)
|
||||
S(6) 2.706e-04
|
||||
SO4-2 2.481e-04 2.087e-04 -3.605 -3.680 -0.075 13.31
|
||||
HSO4- 1.507e-05 1.442e-05 -4.822 -4.841 -0.019 35.17
|
||||
HSO4- 1.506e-05 1.442e-05 -4.822 -4.841 -0.019 35.17
|
||||
CaSO4 5.802e-06 5.804e-06 -5.236 -5.236 0.000 7.50
|
||||
MgSO4 1.400e-06 1.401e-06 -5.854 -5.854 0.000 5.84
|
||||
NaSO4- 1.282e-07 1.227e-07 -6.892 -6.911 -0.019 27.29
|
||||
NaSO4- 1.281e-07 1.227e-07 -6.892 -6.911 -0.019 27.29
|
||||
CaHSO4+ 2.832e-08 2.711e-08 -7.548 -7.567 -0.019 (0)
|
||||
KSO4- 2.695e-08 2.580e-08 -7.569 -7.588 -0.019 (0)
|
||||
KSO4- 2.693e-08 2.580e-08 -7.570 -7.588 -0.019 (0)
|
||||
NH4SO4- 0.000e+00 0.000e+00 -51.008 -51.027 -0.019 (0)
|
||||
|
||||
------------------------------Saturation indices-------------------------------
|
||||
@ -303,7 +301,7 @@ S(6) 2.706e-04
|
||||
Aragonite -9.51 -17.84 -8.34 CaCO3
|
||||
Calcite -9.36 -17.84 -8.48 CaCO3
|
||||
CH4(g) -133.84 -136.69 -2.84 CH4
|
||||
CO2(g) -2.19 -3.65 -1.46 CO2 Pressure 0.0 atm, phi 1.000.
|
||||
CO2(g) -2.19 -3.65 -1.46 CO2
|
||||
Dolomite -19.33 -36.42 -17.09 CaMg(CO3)2
|
||||
Gypsum -2.91 -7.49 -4.58 CaSO4:2H2O
|
||||
H2(g) -39.40 -42.51 -3.10 H2
|
||||
@ -366,6 +364,7 @@ Mixture 1.
|
||||
pe = 16.529 Adjusted to redox equilibrium
|
||||
Specific Conductance (uS/cm, 25 oC) = 342
|
||||
Density (g/cm3) = 0.99709
|
||||
Volume (L) = 1.00335
|
||||
Activity of water = 1.000
|
||||
Ionic strength = 1.531e-03
|
||||
Mass of water (kg) = 1.000e+00
|
||||
@ -374,7 +373,7 @@ Mixture 1.
|
||||
Temperature (deg C) = 25.00
|
||||
Electrical balance (eq) = 5.162e-04
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 24.28
|
||||
Iterations = 6
|
||||
Iterations = 0
|
||||
Total H = 1.110505e+02
|
||||
Total O = 5.552688e+01
|
||||
|
||||
@ -397,13 +396,13 @@ C(4) 2.222e-04
|
||||
CO3-2 1.090e-14 9.176e-15 -13.963 -14.037 -0.075 -3.95
|
||||
CaCO3 2.409e-15 2.410e-15 -14.618 -14.618 0.000 -14.60
|
||||
MgCO3 2.505e-16 2.506e-16 -15.601 -15.601 0.000 -17.09
|
||||
NaCO3- 2.093e-17 2.004e-17 -16.679 -16.698 -0.019 -2.86
|
||||
NaCO3- 2.092e-17 2.004e-17 -16.679 -16.698 -0.019 -2.86
|
||||
Ca 1.916e-04
|
||||
Ca+2 1.857e-04 1.564e-04 -3.731 -3.806 -0.075 -17.43
|
||||
Ca+2 1.857e-04 1.564e-04 -3.731 -3.806 -0.075 -17.42
|
||||
CaSO4 5.802e-06 5.804e-06 -5.236 -5.236 0.000 7.50
|
||||
CaHSO4+ 2.832e-08 2.711e-08 -7.548 -7.567 -0.019 (0)
|
||||
CaHCO3+ 2.895e-10 2.774e-10 -9.538 -9.557 -0.019 9.68
|
||||
CaOH+ 3.814e-14 3.651e-14 -13.419 -13.438 -0.019 (0)
|
||||
CaOH+ 3.810e-14 3.651e-14 -13.419 -13.438 -0.019 (0)
|
||||
CaCO3 2.409e-15 2.410e-15 -14.618 -14.618 0.000 -14.60
|
||||
Cl 1.331e-04
|
||||
Cl- 1.331e-04 1.274e-04 -3.876 -3.895 -0.019 18.07
|
||||
@ -411,13 +410,12 @@ H(0) 0.000e+00
|
||||
H2 0.000e+00 0.000e+00 -42.506 -42.506 0.000 28.61
|
||||
K 1.841e-05
|
||||
K+ 1.838e-05 1.759e-05 -4.736 -4.755 -0.019 8.94
|
||||
KSO4- 2.695e-08 2.580e-08 -7.569 -7.588 -0.019 (0)
|
||||
KOH 8.579e-17 8.582e-17 -16.067 -16.066 0.000 (0)
|
||||
KSO4- 2.693e-08 2.580e-08 -7.570 -7.588 -0.019 (0)
|
||||
Mg 3.536e-05
|
||||
Mg+2 3.396e-05 2.863e-05 -4.469 -4.543 -0.074 -21.51
|
||||
MgSO4 1.400e-06 1.401e-06 -5.854 -5.854 0.000 5.84
|
||||
MgHCO3+ 4.865e-11 4.657e-11 -10.313 -10.332 -0.019 5.48
|
||||
MgOH+ 1.528e-13 1.462e-13 -12.816 -12.835 -0.019 (0)
|
||||
MgOH+ 1.526e-13 1.462e-13 -12.817 -12.835 -0.018 (0)
|
||||
MgCO3 2.505e-16 2.506e-16 -15.601 -15.601 0.000 -17.09
|
||||
N(-3) 0.000e+00
|
||||
NH4+ 0.000e+00 0.000e+00 -48.437 -48.457 -0.019 18.02
|
||||
@ -431,10 +429,9 @@ N(5) 1.601e-04
|
||||
NO3- 1.601e-04 1.532e-04 -3.796 -3.815 -0.019 29.46
|
||||
Na 1.226e-04
|
||||
Na+ 1.225e-04 1.173e-04 -3.912 -3.931 -0.019 -1.19
|
||||
NaSO4- 1.282e-07 1.227e-07 -6.892 -6.911 -0.019 27.29
|
||||
NaSO4- 1.281e-07 1.227e-07 -6.892 -6.911 -0.019 27.29
|
||||
NaHCO3 1.630e-11 1.631e-11 -10.788 -10.788 0.000 29.13
|
||||
NaCO3- 2.093e-17 2.004e-17 -16.679 -16.698 -0.019 -2.86
|
||||
NaOH 1.653e-25 1.654e-25 -24.782 -24.781 0.000 (0)
|
||||
NaCO3- 2.092e-17 2.004e-17 -16.679 -16.698 -0.019 -2.86
|
||||
O(0) 8.551e-08
|
||||
O2 4.276e-08 4.277e-08 -7.369 -7.369 0.000 30.40
|
||||
S(-2) 0.000e+00
|
||||
@ -443,12 +440,12 @@ S(-2) 0.000e+00
|
||||
S-2 0.000e+00 0.000e+00 -140.296 -140.371 -0.075 (0)
|
||||
S(6) 2.706e-04
|
||||
SO4-2 2.481e-04 2.087e-04 -3.605 -3.680 -0.075 13.31
|
||||
HSO4- 1.507e-05 1.442e-05 -4.822 -4.841 -0.019 35.17
|
||||
HSO4- 1.506e-05 1.442e-05 -4.822 -4.841 -0.019 35.17
|
||||
CaSO4 5.802e-06 5.804e-06 -5.236 -5.236 0.000 7.50
|
||||
MgSO4 1.400e-06 1.401e-06 -5.854 -5.854 0.000 5.84
|
||||
NaSO4- 1.282e-07 1.227e-07 -6.892 -6.911 -0.019 27.29
|
||||
NaSO4- 1.281e-07 1.227e-07 -6.892 -6.911 -0.019 27.29
|
||||
CaHSO4+ 2.832e-08 2.711e-08 -7.548 -7.567 -0.019 (0)
|
||||
KSO4- 2.695e-08 2.580e-08 -7.569 -7.588 -0.019 (0)
|
||||
KSO4- 2.693e-08 2.580e-08 -7.570 -7.588 -0.019 (0)
|
||||
NH4SO4- 0.000e+00 0.000e+00 -51.008 -51.027 -0.019 (0)
|
||||
|
||||
------------------------------Saturation indices-------------------------------
|
||||
@ -481,6 +478,6 @@ Reading input data for simulation 3.
|
||||
------------------------------------
|
||||
|
||||
------------------------------
|
||||
End of Run after 0.03 Seconds.
|
||||
End of Run after 0.02 Seconds.
|
||||
------------------------------
|
||||
|
||||
|
||||
476
ex5.out
476
ex5.out
@ -74,6 +74,7 @@ Initial solution 1. PURE WATER
|
||||
pe = 4.000
|
||||
Specific Conductance (uS/cm, 25 oC) = 0
|
||||
Density (g/cm3) = 0.99704
|
||||
Volume (L) = 1.00297
|
||||
Activity of water = 1.000
|
||||
Ionic strength = 1.002e-07
|
||||
Mass of water (kg) = 1.000e+00
|
||||
@ -141,8 +142,8 @@ Reaction 1.
|
||||
Phase SI log IAP log K(T, P) Initial Final Delta
|
||||
|
||||
CO2(g) -3.50 -4.96 -1.46 1.000e+01 1.000e+01 -4.902e-04
|
||||
Calcite -0.00 -8.48 -8.48 1.000e+01 1.000e+01 -4.964e-04
|
||||
Goethite 0.00 -1.00 -1.00 1.000e+01 1.000e+01 1.044e-08
|
||||
Calcite 0.00 -8.48 -8.48 1.000e+01 1.000e+01 -4.964e-04
|
||||
Goethite -0.00 -1.00 -1.00 1.000e+01 1.000e+01 1.044e-08
|
||||
Gypsum -6.13 -10.71 -4.58 0.000e+00 0 0.000e+00
|
||||
Pyrite -0.00 -18.48 -18.48 1.000e+01 1.000e+01 -3.134e-08
|
||||
|
||||
@ -161,15 +162,16 @@ Pyrite -0.00 -18.48 -18.48 1.000e+01 1.000e+01 -3.134e-08
|
||||
pe = -4.936 Adjusted to redox equilibrium
|
||||
Specific Conductance (uS/cm, 25 oC) = 97
|
||||
Density (g/cm3) = 0.99711
|
||||
Volume (L) = 1.00302
|
||||
Activity of water = 1.000
|
||||
Ionic strength = 1.472e-03
|
||||
Mass of water (kg) = 1.000e+00
|
||||
Total alkalinity (eq/kg) = 9.928e-04
|
||||
Total CO2 (mol/kg) = 9.866e-04
|
||||
Temperature (deg C) = 25.00
|
||||
Electrical balance (eq) = -2.184e-10
|
||||
Electrical balance (eq) = -2.208e-10
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
|
||||
Iterations = 13
|
||||
Iterations = 14
|
||||
Total H = 1.110124e+02
|
||||
Total O = 5.550869e+01
|
||||
|
||||
@ -188,32 +190,34 @@ C(4) 9.866e-04
|
||||
CO2 1.096e-05 1.096e-05 -4.960 -4.960 0.000 30.26
|
||||
CO3-2 9.558e-06 8.074e-06 -5.020 -5.093 -0.073 -3.96
|
||||
CaCO3 5.563e-06 5.565e-06 -5.255 -5.255 0.000 -14.60
|
||||
CaHCO3+ 5.002e-06 4.795e-06 -5.301 -5.319 -0.018 9.68
|
||||
CaHCO3+ 5.001e-06 4.795e-06 -5.301 -5.319 -0.018 9.68
|
||||
FeCO3 2.639e-09 2.640e-09 -8.579 -8.578 0.000 (0)
|
||||
FeHCO3+ 1.303e-09 1.249e-09 -8.885 -8.904 -0.019 (0)
|
||||
Ca 4.964e-04
|
||||
Ca+2 4.858e-04 4.103e-04 -3.314 -3.387 -0.073 -17.43
|
||||
Ca+2 4.858e-04 4.103e-04 -3.314 -3.387 -0.073 -17.42
|
||||
CaCO3 5.563e-06 5.565e-06 -5.255 -5.255 0.000 -14.60
|
||||
CaHCO3+ 5.002e-06 4.795e-06 -5.301 -5.319 -0.018 9.68
|
||||
CaOH+ 1.336e-08 1.280e-08 -7.874 -7.893 -0.019 (0)
|
||||
CaHCO3+ 5.001e-06 4.795e-06 -5.301 -5.319 -0.018 9.68
|
||||
CaOH+ 1.334e-08 1.280e-08 -7.875 -7.893 -0.018 (0)
|
||||
CaSO4 3.492e-09 3.493e-09 -8.457 -8.457 0.000 7.50
|
||||
CaHSO4+ 1.275e-16 1.222e-16 -15.894 -15.913 -0.019 (0)
|
||||
Fe(2) 2.090e-08
|
||||
Fe+2 1.612e-08 1.363e-08 -7.793 -7.866 -0.073 -22.13
|
||||
FeCO3 2.639e-09 2.640e-09 -8.579 -8.578 0.000 (0)
|
||||
FeHCO3+ 1.303e-09 1.249e-09 -8.885 -8.904 -0.019 (0)
|
||||
FeOH+ 8.454e-10 8.100e-10 -9.073 -9.092 -0.019 (0)
|
||||
FeOH+ 8.450e-10 8.100e-10 -9.073 -9.092 -0.018 (0)
|
||||
Fe(OH)2 1.295e-12 1.296e-12 -11.888 -11.888 0.000 (0)
|
||||
FeSO4 1.160e-13 1.160e-13 -12.936 -12.935 0.000 (0)
|
||||
Fe(OH)3- 9.437e-15 9.046e-15 -14.025 -14.044 -0.018 (0)
|
||||
Fe(HS)2 6.248e-17 6.250e-17 -16.204 -16.204 0.000 (0)
|
||||
FeHSO4+ 4.236e-21 4.058e-21 -20.373 -20.392 -0.019 (0)
|
||||
Fe(HS)3- 1.612e-23 1.544e-23 -22.793 -22.811 -0.019 (0)
|
||||
Fe(3) 3.365e-14
|
||||
Fe(3) 3.364e-14
|
||||
Fe(OH)3 2.753e-14 2.754e-14 -13.560 -13.560 0.000 (0)
|
||||
Fe(OH)4- 4.927e-15 4.720e-15 -14.307 -14.326 -0.019 (0)
|
||||
Fe(OH)2+ 1.187e-15 1.138e-15 -14.925 -14.944 -0.019 (0)
|
||||
FeOH+2 2.170e-20 1.828e-20 -19.664 -19.738 -0.074 (0)
|
||||
Fe(OH)4- 4.924e-15 4.720e-15 -14.308 -14.326 -0.018 (0)
|
||||
Fe(OH)2+ 1.187e-15 1.138e-15 -14.926 -14.944 -0.018 (0)
|
||||
FeOH+2 2.166e-20 1.828e-20 -19.664 -19.738 -0.074 (0)
|
||||
Fe+3 2.169e-26 1.507e-26 -25.664 -25.822 -0.158 (0)
|
||||
FeSO4+ 8.255e-30 7.909e-30 -29.083 -29.102 -0.019 (0)
|
||||
FeSO4+ 8.251e-30 7.909e-30 -29.083 -29.102 -0.018 (0)
|
||||
Fe(SO4)2- 8.646e-36 8.283e-36 -35.063 -35.082 -0.019 (0)
|
||||
FeHSO4+2 1.338e-37 1.127e-37 -36.874 -36.948 -0.074 (0)
|
||||
Fe2(OH)2+4 1.786e-38 8.995e-39 -37.748 -38.046 -0.298 (0)
|
||||
@ -232,10 +236,10 @@ S(6) 6.022e-08
|
||||
SO4-2 5.672e-08 4.787e-08 -7.246 -7.320 -0.074 13.31
|
||||
CaSO4 3.492e-09 3.493e-09 -8.457 -8.457 0.000 7.50
|
||||
FeSO4 1.160e-13 1.160e-13 -12.936 -12.935 0.000 (0)
|
||||
HSO4- 2.585e-14 2.477e-14 -13.588 -13.606 -0.019 35.17
|
||||
HSO4- 2.584e-14 2.477e-14 -13.588 -13.606 -0.019 35.17
|
||||
CaHSO4+ 1.275e-16 1.222e-16 -15.894 -15.913 -0.019 (0)
|
||||
FeHSO4+ 4.236e-21 4.058e-21 -20.373 -20.392 -0.019 (0)
|
||||
FeSO4+ 8.255e-30 7.909e-30 -29.083 -29.102 -0.019 (0)
|
||||
FeSO4+ 8.251e-30 7.909e-30 -29.083 -29.102 -0.018 (0)
|
||||
Fe(SO4)2- 8.646e-36 8.283e-36 -35.063 -35.082 -0.019 (0)
|
||||
FeHSO4+2 1.338e-37 1.127e-37 -36.874 -36.948 -0.074 (0)
|
||||
|
||||
@ -245,12 +249,12 @@ S(6) 6.022e-08
|
||||
|
||||
Anhydrite -6.47 -10.71 -4.24 CaSO4
|
||||
Aragonite -0.14 -8.48 -8.34 CaCO3
|
||||
Calcite -0.00 -8.48 -8.48 CaCO3
|
||||
Calcite 0.00 -8.48 -8.48 CaCO3
|
||||
CH4(g) -4.43 -7.27 -2.84 CH4
|
||||
CO2(g) -3.50 -4.96 -1.46 CO2 Pressure 0.0 atm, phi 1.000.
|
||||
Fe(OH)3(a) -5.89 -1.00 4.89 Fe(OH)3
|
||||
FeS(ppt) -4.32 -8.24 -3.92 FeS
|
||||
Goethite 0.00 -1.00 -1.00 FeOOH
|
||||
Goethite -0.00 -1.00 -1.00 FeOOH
|
||||
Gypsum -6.13 -10.71 -4.58 CaSO4:2H2O
|
||||
H2(g) -6.72 -9.83 -3.10 H2
|
||||
H2O(g) -1.50 -0.00 1.50 H2O
|
||||
@ -293,7 +297,7 @@ Phase SI log IAP log K(T, P) Initial Final Delta
|
||||
|
||||
CO2(g) -3.50 -4.96 -1.46 1.000e+01 1.000e+01 1.393e-04
|
||||
Calcite -0.00 -8.48 -8.48 1.000e+01 9.999e+00 -9.299e-04
|
||||
Goethite 0.00 -1.00 -1.00 1.000e+01 1.000e+01 2.667e-04
|
||||
Goethite -0.00 -1.00 -1.00 1.000e+01 1.000e+01 2.667e-04
|
||||
Gypsum -2.01 -6.59 -4.58 0.000e+00 0 0.000e+00
|
||||
Pyrite 0.00 -18.48 -18.48 1.000e+01 1.000e+01 -2.667e-04
|
||||
|
||||
@ -314,6 +318,7 @@ Pyrite 0.00 -18.48 -18.48 1.000e+01 1.000e+01 -2.667e-04
|
||||
pe = -4.280 Adjusted to redox equilibrium
|
||||
Specific Conductance (uS/cm, 25 oC) = 257
|
||||
Density (g/cm3) = 0.99719
|
||||
Volume (L) = 1.00305
|
||||
Activity of water = 1.000
|
||||
Ionic strength = 3.617e-03
|
||||
Mass of water (kg) = 1.000e+00
|
||||
@ -322,7 +327,7 @@ Pyrite 0.00 -18.48 -18.48 1.000e+01 1.000e+01 -2.667e-04
|
||||
Temperature (deg C) = 25.00
|
||||
Electrical balance (eq) = -2.208e-10
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
|
||||
Iterations = 25
|
||||
Iterations = 24
|
||||
Total H = 1.110122e+02
|
||||
Total O = 5.551019e+01
|
||||
|
||||
@ -339,46 +344,48 @@ C(-4) 2.201e-12
|
||||
C(4) 7.906e-04
|
||||
HCO3- 7.609e-04 7.138e-04 -3.119 -3.146 -0.028 24.62
|
||||
CO2 1.095e-05 1.096e-05 -4.961 -4.960 0.000 30.26
|
||||
CaHCO3+ 6.559e-06 6.154e-06 -5.183 -5.211 -0.028 9.70
|
||||
CaHCO3+ 6.555e-06 6.154e-06 -5.183 -5.211 -0.027 9.70
|
||||
CO3-2 6.328e-06 4.903e-06 -5.199 -5.310 -0.111 -3.87
|
||||
CaCO3 5.560e-06 5.565e-06 -5.255 -5.255 0.000 -14.60
|
||||
NaHCO3 3.334e-07 3.336e-07 -6.477 -6.477 0.000 29.13
|
||||
NaCO3- 4.555e-08 4.267e-08 -7.342 -7.370 -0.028 -2.83
|
||||
NaCO3- 4.548e-08 4.267e-08 -7.342 -7.370 -0.028 -2.83
|
||||
FeCO3 7.462e-10 7.468e-10 -9.127 -9.127 0.000 (0)
|
||||
FeHCO3+ 4.839e-10 4.533e-10 -9.315 -9.344 -0.028 (0)
|
||||
Ca 9.299e-04
|
||||
Ca+2 8.726e-04 6.757e-04 -3.059 -3.170 -0.111 -17.37
|
||||
Ca+2 8.726e-04 6.757e-04 -3.059 -3.170 -0.111 -17.36
|
||||
CaSO4 4.521e-05 4.525e-05 -4.345 -4.344 0.000 7.50
|
||||
CaHCO3+ 6.559e-06 6.154e-06 -5.183 -5.211 -0.028 9.70
|
||||
CaHCO3+ 6.555e-06 6.154e-06 -5.183 -5.211 -0.027 9.70
|
||||
CaCO3 5.560e-06 5.565e-06 -5.255 -5.255 0.000 -14.60
|
||||
CaOH+ 1.753e-08 1.642e-08 -7.756 -7.785 -0.028 (0)
|
||||
CaOH+ 1.749e-08 1.642e-08 -7.757 -7.785 -0.027 (0)
|
||||
CaHSO4+ 2.168e-12 2.031e-12 -11.664 -11.692 -0.028 (0)
|
||||
Cl 5.000e-04
|
||||
Cl- 5.000e-04 4.681e-04 -3.301 -3.330 -0.029 18.09
|
||||
FeCl+ 4.380e-12 4.103e-12 -11.358 -11.387 -0.028 (0)
|
||||
FeCl+2 5.846e-28 4.501e-28 -27.233 -27.347 -0.114 (0)
|
||||
FeCl2+ 1.005e-30 9.412e-31 -29.998 -30.026 -0.028 (0)
|
||||
FeCl+2 5.821e-28 4.501e-28 -27.235 -27.347 -0.112 (0)
|
||||
FeCl2+ 1.004e-30 9.412e-31 -29.998 -30.026 -0.028 (0)
|
||||
FeCl3 4.402e-35 4.406e-35 -34.356 -34.356 0.000 (0)
|
||||
Fe(2) 1.015e-08
|
||||
Fe+2 8.175e-09 6.350e-09 -8.088 -8.197 -0.110 -22.05
|
||||
FeCO3 7.462e-10 7.468e-10 -9.127 -9.127 0.000 (0)
|
||||
FeHCO3+ 4.839e-10 4.533e-10 -9.315 -9.344 -0.028 (0)
|
||||
FeSO4 4.249e-10 4.253e-10 -9.372 -9.371 0.000 (0)
|
||||
FeOH+ 3.139e-10 2.941e-10 -9.503 -9.532 -0.028 (0)
|
||||
FeOH+ 3.136e-10 2.941e-10 -9.504 -9.532 -0.028 (0)
|
||||
FeCl+ 4.380e-12 4.103e-12 -11.358 -11.387 -0.028 (0)
|
||||
Fe(OH)2 3.662e-13 3.665e-13 -12.436 -12.436 0.000 (0)
|
||||
Fe(OH)3- 2.127e-15 1.994e-15 -14.672 -14.700 -0.028 (0)
|
||||
FeHSO4+ 2.038e-17 1.909e-17 -16.691 -16.719 -0.028 (0)
|
||||
Fe(HS)2 4.999e-18 5.003e-18 -17.301 -17.301 0.000 (0)
|
||||
Fe(HS)3- 5.468e-25 5.122e-25 -24.262 -24.291 -0.028 (0)
|
||||
Fe(3) 3.300e-14
|
||||
Fe(3) 3.299e-14
|
||||
Fe(OH)3 2.752e-14 2.754e-14 -13.560 -13.560 0.000 (0)
|
||||
Fe(OH)4- 3.927e-15 3.678e-15 -14.406 -14.434 -0.028 (0)
|
||||
Fe(OH)2+ 1.558e-15 1.460e-15 -14.807 -14.836 -0.028 (0)
|
||||
FeOH+2 3.910e-20 3.011e-20 -19.408 -19.521 -0.114 (0)
|
||||
FeSO4+ 1.404e-25 1.315e-25 -24.853 -24.881 -0.028 (0)
|
||||
Fe(OH)4- 3.921e-15 3.678e-15 -14.407 -14.434 -0.028 (0)
|
||||
Fe(OH)2+ 1.556e-15 1.460e-15 -14.808 -14.836 -0.028 (0)
|
||||
FeOH+2 3.893e-20 3.011e-20 -19.410 -19.521 -0.112 (0)
|
||||
FeSO4+ 1.402e-25 1.315e-25 -24.853 -24.881 -0.028 (0)
|
||||
Fe+3 5.462e-26 3.184e-26 -25.263 -25.497 -0.234 (0)
|
||||
Fe(SO4)2- 1.157e-27 1.083e-27 -26.937 -26.965 -0.028 (0)
|
||||
FeCl+2 5.846e-28 4.501e-28 -27.233 -27.347 -0.114 (0)
|
||||
FeCl2+ 1.005e-30 9.412e-31 -29.998 -30.026 -0.028 (0)
|
||||
FeCl+2 5.821e-28 4.501e-28 -27.235 -27.347 -0.112 (0)
|
||||
FeCl2+ 1.004e-30 9.412e-31 -29.998 -30.026 -0.028 (0)
|
||||
FeHSO4+2 3.122e-33 2.404e-33 -32.506 -32.619 -0.114 (0)
|
||||
FeCl3 4.402e-35 4.406e-35 -34.356 -34.356 0.000 (0)
|
||||
Fe2(OH)2+4 6.940e-38 2.440e-38 -37.159 -37.613 -0.454 (0)
|
||||
@ -387,10 +394,9 @@ H(0) 2.393e-11
|
||||
H2 1.196e-11 1.197e-11 -10.922 -10.922 0.000 28.61
|
||||
Na 5.000e-04
|
||||
Na+ 4.987e-04 4.674e-04 -3.302 -3.330 -0.028 -1.17
|
||||
NaSO4- 9.418e-07 8.822e-07 -6.026 -6.054 -0.028 27.32
|
||||
NaSO4- 9.403e-07 8.822e-07 -6.027 -6.054 -0.028 27.32
|
||||
NaHCO3 3.334e-07 3.336e-07 -6.477 -6.477 0.000 29.13
|
||||
NaCO3- 4.555e-08 4.267e-08 -7.342 -7.370 -0.028 -2.83
|
||||
NaOH 6.854e-20 6.859e-20 -19.164 -19.164 0.000 (0)
|
||||
NaCO3- 4.548e-08 4.267e-08 -7.342 -7.370 -0.028 -2.83
|
||||
O(0) 0.000e+00
|
||||
O2 0.000e+00 0.000e+00 -70.537 -70.537 0.000 30.40
|
||||
S(-2) 1.061e-09
|
||||
@ -400,14 +406,14 @@ S(-2) 1.061e-09
|
||||
Fe(HS)2 4.999e-18 5.003e-18 -17.301 -17.301 0.000 (0)
|
||||
Fe(HS)3- 5.468e-25 5.122e-25 -24.262 -24.291 -0.028 (0)
|
||||
S(6) 5.333e-04
|
||||
SO4-2 4.872e-04 3.766e-04 -3.312 -3.424 -0.112 13.35
|
||||
SO4-2 4.872e-04 3.766e-04 -3.312 -3.424 -0.112 13.36
|
||||
CaSO4 4.521e-05 4.525e-05 -4.345 -4.344 0.000 7.50
|
||||
NaSO4- 9.418e-07 8.822e-07 -6.026 -6.054 -0.028 27.32
|
||||
NaSO4- 9.403e-07 8.822e-07 -6.027 -6.054 -0.028 27.32
|
||||
FeSO4 4.249e-10 4.253e-10 -9.372 -9.371 0.000 (0)
|
||||
HSO4- 2.669e-10 2.500e-10 -9.574 -9.602 -0.028 35.19
|
||||
HSO4- 2.668e-10 2.500e-10 -9.574 -9.602 -0.028 35.19
|
||||
CaHSO4+ 2.168e-12 2.031e-12 -11.664 -11.692 -0.028 (0)
|
||||
FeHSO4+ 2.038e-17 1.909e-17 -16.691 -16.719 -0.028 (0)
|
||||
FeSO4+ 1.404e-25 1.315e-25 -24.853 -24.881 -0.028 (0)
|
||||
FeSO4+ 1.402e-25 1.315e-25 -24.853 -24.881 -0.028 (0)
|
||||
Fe(SO4)2- 1.157e-27 1.083e-27 -26.937 -26.965 -0.028 (0)
|
||||
FeHSO4+2 3.122e-33 2.404e-33 -32.506 -32.619 -0.114 (0)
|
||||
|
||||
@ -422,7 +428,7 @@ S(6) 5.333e-04
|
||||
CO2(g) -3.50 -4.96 -1.46 CO2 Pressure 0.0 atm, phi 1.000.
|
||||
Fe(OH)3(a) -5.89 -1.00 4.89 Fe(OH)3
|
||||
FeS(ppt) -5.14 -9.06 -3.92 FeS
|
||||
Goethite 0.00 -1.00 -1.00 FeOOH
|
||||
Goethite -0.00 -1.00 -1.00 FeOOH
|
||||
Gypsum -2.01 -6.59 -4.58 CaSO4:2H2O
|
||||
H2(g) -7.82 -10.92 -3.10 H2
|
||||
H2O(g) -1.50 -0.00 1.50 H2O
|
||||
@ -465,17 +471,17 @@ Reaction 1.
|
||||
Phase SI log IAP log K(T, P) Initial Final Delta
|
||||
|
||||
CO2(g) -3.50 -4.96 -1.46 1.000e+01 1.000e+01 2.394e-03
|
||||
Calcite 0.00 -8.48 -8.48 1.000e+01 9.997e+00 -2.939e-03
|
||||
Calcite -0.00 -8.48 -8.48 1.000e+01 9.997e+00 -2.938e-03
|
||||
Goethite -0.00 -1.00 -1.00 1.000e+01 1.000e+01 1.333e-03
|
||||
Gypsum -1.05 -5.63 -4.58 0.000e+00 0 0.000e+00
|
||||
Pyrite 0.00 -18.48 -18.48 1.000e+01 9.999e+00 -1.333e-03
|
||||
Pyrite -0.00 -18.48 -18.48 1.000e+01 9.999e+00 -1.333e-03
|
||||
|
||||
-----------------------------Solution composition------------------------------
|
||||
|
||||
Elements Molality Moles
|
||||
|
||||
C 5.448e-04 5.448e-04
|
||||
Ca 2.939e-03 2.939e-03
|
||||
Ca 2.939e-03 2.938e-03
|
||||
Cl 2.500e-03 2.500e-03
|
||||
Fe 2.185e-08 2.185e-08
|
||||
Na 2.500e-03 2.500e-03
|
||||
@ -487,15 +493,16 @@ Pyrite 0.00 -18.48 -18.48 1.000e+01 9.999e+00 -1.333e-03
|
||||
pe = -3.961 Adjusted to redox equilibrium
|
||||
Specific Conductance (uS/cm, 25 oC) = 863
|
||||
Density (g/cm3) = 0.99755
|
||||
Volume (L) = 1.00319
|
||||
Activity of water = 1.000
|
||||
Ionic strength = 1.226e-02
|
||||
Mass of water (kg) = 1.000e+00
|
||||
Total alkalinity (eq/kg) = 5.437e-04
|
||||
Total CO2 (mol/kg) = 5.448e-04
|
||||
Temperature (deg C) = 25.00
|
||||
Electrical balance (eq) = -2.208e-10
|
||||
Electrical balance (eq) = -1.621e-10
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
|
||||
Iterations = 29
|
||||
Iterations = 24
|
||||
Total H = 1.110111e+02
|
||||
Total O = 5.551758e+01
|
||||
|
||||
@ -512,46 +519,48 @@ C(-4) 2.066e-13
|
||||
C(4) 5.448e-04
|
||||
HCO3- 5.134e-04 4.605e-04 -3.290 -3.337 -0.047 24.69
|
||||
CO2 1.093e-05 1.096e-05 -4.961 -4.960 0.001 30.26
|
||||
CaHCO3+ 1.063e-05 9.537e-06 -4.973 -5.021 -0.047 9.75
|
||||
CaHCO3+ 1.061e-05 9.537e-06 -4.974 -5.021 -0.046 9.75
|
||||
CaCO3 5.549e-06 5.565e-06 -5.256 -5.255 0.001 -14.60
|
||||
CO3-2 3.152e-06 2.041e-06 -5.501 -5.690 -0.189 -3.68
|
||||
NaHCO3 1.019e-06 1.022e-06 -5.992 -5.990 0.001 29.13
|
||||
NaCO3- 9.442e-08 8.435e-08 -7.025 -7.074 -0.049 -2.74
|
||||
NaCO3- 9.404e-08 8.435e-08 -7.027 -7.074 -0.047 -2.74
|
||||
FeHCO3+ 5.852e-10 5.228e-10 -9.233 -9.282 -0.049 (0)
|
||||
FeCO3 5.542e-10 5.558e-10 -9.256 -9.255 0.001 (0)
|
||||
Ca 2.939e-03
|
||||
Ca+2 2.509e-03 1.623e-03 -2.601 -2.790 -0.189 -17.26
|
||||
Ca+2 2.509e-03 1.623e-03 -2.601 -2.790 -0.189 -17.23
|
||||
CaSO4 4.138e-04 4.150e-04 -3.383 -3.382 0.001 7.50
|
||||
CaHCO3+ 1.063e-05 9.537e-06 -4.973 -5.021 -0.047 9.75
|
||||
CaHCO3+ 1.061e-05 9.537e-06 -4.974 -5.021 -0.046 9.75
|
||||
CaCO3 5.549e-06 5.565e-06 -5.256 -5.255 0.001 -14.60
|
||||
CaOH+ 2.849e-08 2.545e-08 -7.545 -7.594 -0.049 (0)
|
||||
CaOH+ 2.832e-08 2.545e-08 -7.548 -7.594 -0.046 (0)
|
||||
CaHSO4+ 3.231e-11 2.887e-11 -10.491 -10.540 -0.049 (0)
|
||||
Cl 2.500e-03
|
||||
Cl- 2.500e-03 2.229e-03 -2.602 -2.652 -0.050 18.14
|
||||
FeCl+ 3.909e-11 3.493e-11 -10.408 -10.457 -0.049 (0)
|
||||
FeCl+2 1.253e-26 7.979e-27 -25.902 -26.098 -0.196 (0)
|
||||
FeCl2+ 8.891e-29 7.943e-29 -28.051 -28.100 -0.049 (0)
|
||||
FeCl+2 1.239e-26 7.979e-27 -25.907 -26.098 -0.191 (0)
|
||||
FeCl2+ 8.867e-29 7.943e-29 -28.052 -28.100 -0.048 (0)
|
||||
FeCl3 1.765e-32 1.770e-32 -31.753 -31.752 0.001 (0)
|
||||
Fe(2) 2.185e-08
|
||||
Fe+2 1.740e-08 1.135e-08 -7.760 -7.945 -0.185 -21.86
|
||||
FeSO4 2.894e-09 2.903e-09 -8.538 -8.537 0.001 (0)
|
||||
FeHCO3+ 5.852e-10 5.228e-10 -9.233 -9.282 -0.049 (0)
|
||||
FeCO3 5.542e-10 5.558e-10 -9.256 -9.255 0.001 (0)
|
||||
FeOH+ 3.797e-10 3.392e-10 -9.421 -9.470 -0.049 (0)
|
||||
FeOH+ 3.786e-10 3.392e-10 -9.422 -9.470 -0.048 (0)
|
||||
FeCl+ 3.909e-11 3.493e-11 -10.408 -10.457 -0.049 (0)
|
||||
Fe(OH)2 2.720e-13 2.727e-13 -12.565 -12.564 0.001 (0)
|
||||
Fe(OH)3- 1.069e-15 9.574e-16 -14.971 -15.019 -0.048 (0)
|
||||
FeHSO4+ 2.260e-16 2.019e-16 -15.646 -15.695 -0.049 (0)
|
||||
Fe(HS)2 2.763e-18 2.770e-18 -17.559 -17.557 0.001 (0)
|
||||
Fe(HS)3- 1.767e-25 1.579e-25 -24.753 -24.802 -0.049 (0)
|
||||
Fe(3) 3.265e-14
|
||||
Fe(3) 3.263e-14
|
||||
Fe(OH)3 2.746e-14 2.754e-14 -13.561 -13.560 0.001 (0)
|
||||
Fe(OH)4- 2.656e-15 2.373e-15 -14.576 -14.625 -0.049 (0)
|
||||
Fe(OH)2+ 2.532e-15 2.262e-15 -14.596 -14.645 -0.049 (0)
|
||||
FeOH+2 1.135e-19 7.232e-20 -18.945 -19.141 -0.196 (0)
|
||||
FeSO4+ 2.092e-24 1.869e-24 -23.679 -23.728 -0.049 (0)
|
||||
Fe(OH)4- 2.645e-15 2.373e-15 -14.578 -14.625 -0.047 (0)
|
||||
Fe(OH)2+ 2.522e-15 2.262e-15 -14.598 -14.645 -0.047 (0)
|
||||
FeOH+2 1.123e-19 7.232e-20 -18.950 -19.141 -0.191 (0)
|
||||
FeSO4+ 2.086e-24 1.869e-24 -23.681 -23.728 -0.048 (0)
|
||||
Fe+3 2.863e-25 1.186e-25 -24.543 -24.926 -0.383 (0)
|
||||
Fe(SO4)2- 6.580e-26 5.879e-26 -25.182 -25.231 -0.049 (0)
|
||||
FeCl+2 1.253e-26 7.979e-27 -25.902 -26.098 -0.196 (0)
|
||||
FeCl2+ 8.891e-29 7.943e-29 -28.051 -28.100 -0.049 (0)
|
||||
Fe(SO4)2- 6.581e-26 5.879e-26 -25.182 -25.231 -0.049 (0)
|
||||
FeCl+2 1.239e-26 7.979e-27 -25.907 -26.098 -0.191 (0)
|
||||
FeCl2+ 8.867e-29 7.943e-29 -28.052 -28.100 -0.048 (0)
|
||||
FeHSO4+2 8.314e-32 5.296e-32 -31.080 -31.276 -0.196 (0)
|
||||
FeCl3 1.765e-32 1.770e-32 -31.753 -31.752 0.001 (0)
|
||||
Fe2(OH)2+4 8.548e-37 1.408e-37 -36.068 -36.851 -0.783 (0)
|
||||
@ -560,10 +569,9 @@ H(0) 1.322e-11
|
||||
H2 6.612e-12 6.630e-12 -11.180 -11.178 0.001 28.61
|
||||
Na 2.500e-03
|
||||
Na+ 2.481e-03 2.220e-03 -2.605 -2.654 -0.048 -1.13
|
||||
NaSO4- 1.790e-05 1.599e-05 -4.747 -4.796 -0.049 27.41
|
||||
NaSO4- 1.783e-05 1.599e-05 -4.749 -4.796 -0.047 27.41
|
||||
NaHCO3 1.019e-06 1.022e-06 -5.992 -5.990 0.001 29.13
|
||||
NaCO3- 9.442e-08 8.435e-08 -7.025 -7.074 -0.049 -2.74
|
||||
NaOH 2.096e-19 2.102e-19 -18.679 -18.677 0.001 (0)
|
||||
NaCO3- 9.404e-08 8.435e-08 -7.027 -7.074 -0.047 -2.74
|
||||
O(0) 0.000e+00
|
||||
O2 0.000e+00 0.000e+00 -70.024 -70.023 0.001 30.40
|
||||
S(-2) 6.355e-10
|
||||
@ -573,15 +581,15 @@ S(-2) 6.355e-10
|
||||
Fe(HS)2 2.763e-18 2.770e-18 -17.559 -17.557 0.001 (0)
|
||||
Fe(HS)3- 1.767e-25 1.579e-25 -24.753 -24.802 -0.049 (0)
|
||||
S(6) 2.667e-03
|
||||
SO4-2 2.235e-03 1.438e-03 -2.651 -2.842 -0.192 13.42
|
||||
SO4-2 2.235e-03 1.438e-03 -2.651 -2.842 -0.192 13.45
|
||||
CaSO4 4.138e-04 4.150e-04 -3.383 -3.382 0.001 7.50
|
||||
NaSO4- 1.790e-05 1.599e-05 -4.747 -4.796 -0.049 27.41
|
||||
NaSO4- 1.783e-05 1.599e-05 -4.749 -4.796 -0.047 27.41
|
||||
FeSO4 2.894e-09 2.903e-09 -8.538 -8.537 0.001 (0)
|
||||
HSO4- 1.656e-09 1.479e-09 -8.781 -8.830 -0.049 35.24
|
||||
HSO4- 1.654e-09 1.479e-09 -8.781 -8.830 -0.049 35.24
|
||||
CaHSO4+ 3.231e-11 2.887e-11 -10.491 -10.540 -0.049 (0)
|
||||
FeHSO4+ 2.260e-16 2.019e-16 -15.646 -15.695 -0.049 (0)
|
||||
FeSO4+ 2.092e-24 1.869e-24 -23.679 -23.728 -0.049 (0)
|
||||
Fe(SO4)2- 6.580e-26 5.879e-26 -25.182 -25.231 -0.049 (0)
|
||||
FeSO4+ 2.086e-24 1.869e-24 -23.681 -23.728 -0.048 (0)
|
||||
Fe(SO4)2- 6.581e-26 5.879e-26 -25.182 -25.231 -0.049 (0)
|
||||
FeHSO4+2 8.314e-32 5.296e-32 -31.080 -31.276 -0.196 (0)
|
||||
|
||||
------------------------------Saturation indices-------------------------------
|
||||
@ -590,7 +598,7 @@ S(6) 2.667e-03
|
||||
|
||||
Anhydrite -1.39 -5.63 -4.24 CaSO4
|
||||
Aragonite -0.14 -8.48 -8.34 CaCO3
|
||||
Calcite 0.00 -8.48 -8.48 CaCO3
|
||||
Calcite -0.00 -8.48 -8.48 CaCO3
|
||||
CH4(g) -9.84 -12.68 -2.84 CH4
|
||||
CO2(g) -3.50 -4.96 -1.46 CO2 Pressure 0.0 atm, phi 1.000.
|
||||
Fe(OH)3(a) -5.89 -1.00 4.89 Fe(OH)3
|
||||
@ -605,7 +613,7 @@ S(6) 2.667e-03
|
||||
Mackinawite -4.60 -9.25 -4.65 FeS
|
||||
Melanterite -8.58 -10.79 -2.21 FeSO4:7H2O
|
||||
O2(g) -67.13 -70.02 -2.89 O2
|
||||
Pyrite 0.00 -18.48 -18.48 FeS2
|
||||
Pyrite -0.00 -18.48 -18.48 FeS2
|
||||
Siderite -2.75 -13.64 -10.89 FeCO3
|
||||
Sulfur -7.17 -2.29 4.88 S
|
||||
|
||||
@ -660,15 +668,16 @@ Pyrite 0.00 -18.48 -18.48 1.000e+01 9.997e+00 -2.667e-03
|
||||
pe = -3.807 Adjusted to redox equilibrium
|
||||
Specific Conductance (uS/cm, 25 oC) = 1545
|
||||
Density (g/cm3) = 0.99801
|
||||
Volume (L) = 1.00339
|
||||
Activity of water = 1.000
|
||||
Ionic strength = 2.255e-02
|
||||
Mass of water (kg) = 1.000e+00
|
||||
Total alkalinity (eq/kg) = 4.537e-04
|
||||
Total CO2 (mol/kg) = 4.558e-04
|
||||
Temperature (deg C) = 25.00
|
||||
Electrical balance (eq) = -2.203e-10
|
||||
Electrical balance (eq) = -2.208e-10
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
|
||||
Iterations = 25
|
||||
Iterations = 26
|
||||
Total H = 1.110098e+02
|
||||
Total O = 5.552736e+01
|
||||
|
||||
@ -680,65 +689,66 @@ Pyrite 0.00 -18.48 -18.48 1.000e+01 9.997e+00 -2.667e-03
|
||||
OH- 8.767e-07 7.543e-07 -6.057 -6.122 -0.065 -3.93
|
||||
H+ 1.501e-08 1.328e-08 -7.824 -7.877 -0.053 0.00
|
||||
H2O 5.551e+01 9.997e-01 1.744 -0.000 0.000 18.07
|
||||
C(-4) 7.414e-14
|
||||
CH4 7.414e-14 7.452e-14 -13.130 -13.128 0.002 32.22
|
||||
C(-4) 7.413e-14
|
||||
CH4 7.413e-14 7.452e-14 -13.130 -13.128 0.002 32.22
|
||||
C(4) 4.558e-04
|
||||
HCO3- 4.217e-04 3.669e-04 -3.375 -3.435 -0.060 24.75
|
||||
CaHCO3+ 1.376e-05 1.197e-05 -4.861 -4.922 -0.060 9.79
|
||||
CaHCO3+ 1.371e-05 1.197e-05 -4.863 -4.922 -0.059 9.79
|
||||
CO2 1.090e-05 1.096e-05 -4.962 -4.960 0.002 30.26
|
||||
CaCO3 5.536e-06 5.565e-06 -5.257 -5.255 0.002 -14.60
|
||||
CO3-2 2.261e-06 1.295e-06 -5.646 -5.888 -0.242 -3.53
|
||||
NaHCO3 1.562e-06 1.570e-06 -5.806 -5.804 0.002 29.13
|
||||
NaCO3- 1.194e-07 1.032e-07 -6.923 -6.986 -0.063 -2.65
|
||||
FeHCO3+ 6.679e-10 5.776e-10 -9.175 -9.238 -0.063 (0)
|
||||
NaCO3- 1.187e-07 1.032e-07 -6.926 -6.986 -0.060 -2.65
|
||||
FeHCO3+ 6.679e-10 5.775e-10 -9.175 -9.238 -0.063 (0)
|
||||
FeCO3 4.866e-10 4.892e-10 -9.313 -9.311 0.002 (0)
|
||||
Ca 5.560e-03
|
||||
Ca+2 4.465e-03 2.557e-03 -2.350 -2.592 -0.242 -17.18
|
||||
Ca+2 4.465e-03 2.557e-03 -2.350 -2.592 -0.242 -17.15
|
||||
CaSO4 1.076e-03 1.082e-03 -2.968 -2.966 0.002 7.50
|
||||
CaHCO3+ 1.376e-05 1.197e-05 -4.861 -4.922 -0.060 9.79
|
||||
CaHCO3+ 1.371e-05 1.197e-05 -4.863 -4.922 -0.059 9.79
|
||||
CaCO3 5.536e-06 5.565e-06 -5.257 -5.255 0.002 -14.60
|
||||
CaOH+ 3.694e-08 3.194e-08 -7.433 -7.496 -0.063 (0)
|
||||
CaOH+ 3.660e-08 3.194e-08 -7.437 -7.496 -0.059 (0)
|
||||
CaHSO4+ 1.092e-10 9.446e-11 -9.962 -10.025 -0.063 (0)
|
||||
Cl 5.000e-03
|
||||
Cl- 5.000e-03 4.305e-03 -2.301 -2.366 -0.065 18.17
|
||||
Cl- 5.000e-03 4.305e-03 -2.301 -2.366 -0.065 18.18
|
||||
FeCl+ 1.082e-10 9.356e-11 -9.966 -10.029 -0.063 (0)
|
||||
FeCl+2 5.453e-26 3.049e-26 -25.263 -25.516 -0.253 (0)
|
||||
FeCl2+ 6.780e-28 5.863e-28 -27.169 -27.232 -0.063 (0)
|
||||
FeCl+2 5.368e-26 3.049e-26 -25.270 -25.516 -0.246 (0)
|
||||
FeCl2+ 6.754e-28 5.863e-28 -27.170 -27.232 -0.061 (0)
|
||||
FeCl3 2.511e-31 2.524e-31 -30.600 -30.598 0.002 (0)
|
||||
Fe(2) 3.545e-08
|
||||
Fe+2 2.713e-08 1.574e-08 -7.567 -7.803 -0.236 -21.71
|
||||
FeSO4 6.626e-09 6.660e-09 -8.179 -8.177 0.002 (0)
|
||||
FeHCO3+ 6.679e-10 5.776e-10 -9.175 -9.238 -0.063 (0)
|
||||
FeSO4 6.626e-09 6.661e-09 -8.179 -8.176 0.002 (0)
|
||||
FeHCO3+ 6.679e-10 5.775e-10 -9.175 -9.238 -0.063 (0)
|
||||
FeCO3 4.866e-10 4.892e-10 -9.313 -9.311 0.002 (0)
|
||||
FeOH+ 4.333e-10 3.747e-10 -9.363 -9.426 -0.063 (0)
|
||||
FeOH+ 4.316e-10 3.747e-10 -9.365 -9.426 -0.061 (0)
|
||||
FeCl+ 1.082e-10 9.356e-11 -9.966 -10.029 -0.063 (0)
|
||||
Fe(OH)2 2.388e-13 2.400e-13 -12.622 -12.620 0.002 (0)
|
||||
Fe(OH)3- 7.731e-16 6.712e-16 -15.112 -15.173 -0.061 (0)
|
||||
FeHSO4+ 6.725e-16 5.815e-16 -15.172 -15.235 -0.063 (0)
|
||||
Fe(HS)2 2.134e-18 2.145e-18 -17.671 -17.669 0.002 (0)
|
||||
Fe(HS)3- 1.056e-25 9.134e-26 -24.976 -25.039 -0.063 (0)
|
||||
Fe(3) 3.286e-14
|
||||
Fe(3) 3.283e-14
|
||||
Fe(OH)3 2.739e-14 2.753e-14 -13.562 -13.560 0.002 (0)
|
||||
Fe(OH)2+ 3.284e-15 2.840e-15 -14.484 -14.547 -0.063 (0)
|
||||
Fe(OH)4- 2.186e-15 1.890e-15 -14.660 -14.724 -0.063 (0)
|
||||
FeOH+2 2.038e-19 1.139e-19 -18.691 -18.943 -0.253 (0)
|
||||
FeSO4+ 7.074e-24 6.117e-24 -23.150 -23.213 -0.063 (0)
|
||||
Fe(OH)2+ 3.264e-15 2.840e-15 -14.486 -14.547 -0.060 (0)
|
||||
Fe(OH)4- 2.172e-15 1.890e-15 -14.663 -14.724 -0.060 (0)
|
||||
FeOH+2 2.006e-19 1.139e-19 -18.698 -18.943 -0.246 (0)
|
||||
FeSO4+ 7.047e-24 6.117e-24 -23.152 -23.213 -0.061 (0)
|
||||
Fe+3 7.038e-25 2.345e-25 -24.153 -24.630 -0.477 (0)
|
||||
Fe(SO4)2- 3.682e-25 3.184e-25 -24.434 -24.497 -0.063 (0)
|
||||
FeCl+2 5.453e-26 3.049e-26 -25.263 -25.516 -0.253 (0)
|
||||
FeCl2+ 6.780e-28 5.863e-28 -27.169 -27.232 -0.063 (0)
|
||||
FeHSO4+2 3.891e-31 2.176e-31 -30.410 -30.662 -0.253 (0)
|
||||
FeCl+2 5.368e-26 3.049e-26 -25.270 -25.516 -0.246 (0)
|
||||
FeCl2+ 6.754e-28 5.863e-28 -27.170 -27.232 -0.061 (0)
|
||||
FeHSO4+2 3.892e-31 2.176e-31 -30.410 -30.662 -0.253 (0)
|
||||
FeCl3 2.511e-31 2.524e-31 -30.600 -30.598 0.002 (0)
|
||||
Fe2(OH)2+4 3.577e-36 3.494e-37 -35.446 -36.457 -1.010 (0)
|
||||
Fe3(OH)4+5 0.000e+00 0.000e+00 -47.105 -48.683 -1.578 (0)
|
||||
H(0) 1.022e-11
|
||||
H2 5.108e-12 5.134e-12 -11.292 -11.290 0.002 28.61
|
||||
Na 5.000e-03
|
||||
Na+ 4.939e-03 4.280e-03 -2.306 -2.369 -0.062 -1.10
|
||||
NaSO4- 5.901e-05 5.103e-05 -4.229 -4.292 -0.063 27.49
|
||||
Na+ 4.940e-03 4.280e-03 -2.306 -2.369 -0.062 -1.09
|
||||
NaSO4- 5.866e-05 5.104e-05 -4.232 -4.292 -0.060 27.49
|
||||
NaHCO3 1.562e-06 1.570e-06 -5.806 -5.804 0.002 29.13
|
||||
NaCO3- 1.194e-07 1.032e-07 -6.923 -6.986 -0.063 -2.65
|
||||
NaOH 3.211e-19 3.228e-19 -18.493 -18.491 0.002 (0)
|
||||
NaCO3- 1.187e-07 1.032e-07 -6.926 -6.986 -0.060 -2.65
|
||||
O(0) 0.000e+00
|
||||
O2 0.000e+00 0.000e+00 -69.804 -69.801 0.002 30.40
|
||||
O2 0.000e+00 0.000e+00 -69.803 -69.801 0.002 30.40
|
||||
S(-2) 4.997e-10
|
||||
HS- 4.545e-10 3.910e-10 -9.342 -9.408 -0.065 20.71
|
||||
H2S 4.517e-11 4.541e-11 -10.345 -10.343 0.002 37.16
|
||||
@ -746,16 +756,16 @@ S(-2) 4.997e-10
|
||||
Fe(HS)2 2.134e-18 2.145e-18 -17.671 -17.669 0.002 (0)
|
||||
Fe(HS)3- 1.056e-25 9.134e-26 -24.976 -25.039 -0.063 (0)
|
||||
S(6) 5.333e-03
|
||||
SO4-2 4.198e-03 2.379e-03 -2.377 -2.624 -0.247 13.47
|
||||
SO4-2 4.198e-03 2.379e-03 -2.377 -2.624 -0.247 13.49
|
||||
CaSO4 1.076e-03 1.082e-03 -2.968 -2.966 0.002 7.50
|
||||
NaSO4- 5.901e-05 5.103e-05 -4.229 -4.292 -0.063 27.49
|
||||
FeSO4 6.626e-09 6.660e-09 -8.179 -8.177 0.002 (0)
|
||||
HSO4- 3.553e-09 3.072e-09 -8.449 -8.513 -0.063 35.28
|
||||
NaSO4- 5.866e-05 5.104e-05 -4.232 -4.292 -0.060 27.49
|
||||
FeSO4 6.626e-09 6.661e-09 -8.179 -8.176 0.002 (0)
|
||||
HSO4- 3.549e-09 3.072e-09 -8.450 -8.513 -0.063 35.28
|
||||
CaHSO4+ 1.092e-10 9.446e-11 -9.962 -10.025 -0.063 (0)
|
||||
FeHSO4+ 6.725e-16 5.815e-16 -15.172 -15.235 -0.063 (0)
|
||||
FeSO4+ 7.074e-24 6.117e-24 -23.150 -23.213 -0.063 (0)
|
||||
FeSO4+ 7.047e-24 6.117e-24 -23.152 -23.213 -0.061 (0)
|
||||
Fe(SO4)2- 3.682e-25 3.184e-25 -24.434 -24.497 -0.063 (0)
|
||||
FeHSO4+2 3.891e-31 2.176e-31 -30.410 -30.662 -0.253 (0)
|
||||
FeHSO4+2 3.892e-31 2.176e-31 -30.410 -30.662 -0.253 (0)
|
||||
|
||||
------------------------------Saturation indices-------------------------------
|
||||
|
||||
@ -811,19 +821,19 @@ Reaction 1.
|
||||
Phase SI log IAP log K(T, P) Initial Final Delta
|
||||
|
||||
CO2(g) -3.50 -4.96 -1.46 1.000e+01 1.002e+01 1.582e-02
|
||||
Calcite -0.00 -8.48 -8.48 1.000e+01 9.984e+00 -1.618e-02
|
||||
Calcite 0.00 -8.48 -8.48 1.000e+01 9.984e+00 -1.618e-02
|
||||
Goethite -0.00 -1.00 -1.00 1.000e+01 1.001e+01 8.000e-03
|
||||
Gypsum -0.01 -4.59 -4.58 0.000e+00 0 0.000e+00
|
||||
Pyrite -0.00 -18.48 -18.48 1.000e+01 9.992e+00 -8.000e-03
|
||||
Pyrite 0.00 -18.48 -18.48 1.000e+01 9.992e+00 -8.000e-03
|
||||
|
||||
-----------------------------Solution composition------------------------------
|
||||
|
||||
Elements Molality Moles
|
||||
|
||||
C 3.553e-04 3.553e-04
|
||||
C 3.552e-04 3.551e-04
|
||||
Ca 1.618e-02 1.618e-02
|
||||
Cl 1.500e-02 1.500e-02
|
||||
Fe 8.320e-08 8.320e-08
|
||||
Fe 8.320e-08 8.319e-08
|
||||
Na 1.500e-02 1.500e-02
|
||||
S 1.600e-02 1.600e-02
|
||||
|
||||
@ -832,16 +842,17 @@ Pyrite -0.00 -18.48 -18.48 1.000e+01 9.992e+00 -8.000e-03
|
||||
pH = 7.721 Charge balance
|
||||
pe = -3.568 Adjusted to redox equilibrium
|
||||
Specific Conductance (uS/cm, 25 oC) = 3926
|
||||
Density (g/cm3) = 0.99986
|
||||
Density (g/cm3) = 0.99985
|
||||
Volume (L) = 1.00420
|
||||
Activity of water = 0.999
|
||||
Ionic strength = 6.087e-02
|
||||
Mass of water (kg) = 9.999e-01
|
||||
Total alkalinity (eq/kg) = 3.522e-04
|
||||
Total CO2 (mol/kg) = 3.553e-04
|
||||
Total alkalinity (eq/kg) = 3.521e-04
|
||||
Total CO2 (mol/kg) = 3.552e-04
|
||||
Temperature (deg C) = 25.00
|
||||
Electrical balance (eq) = -2.208e-10
|
||||
Electrical balance (eq) = -2.158e-10
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
|
||||
Iterations = 32
|
||||
Iterations = 25
|
||||
Total H = 1.110044e+02
|
||||
Total O = 5.556710e+01
|
||||
|
||||
@ -850,66 +861,67 @@ Pyrite -0.00 -18.48 -18.48 1.000e+01 9.992e+00 -8.000e-03
|
||||
Log Log Log mole V
|
||||
Species Molality Activity Molality Activity Gamma cm3/mol
|
||||
|
||||
OH- 6.602e-07 5.268e-07 -6.180 -6.278 -0.098 -3.78
|
||||
OH- 6.603e-07 5.269e-07 -6.180 -6.278 -0.098 -3.78
|
||||
H+ 2.247e-08 1.900e-08 -7.648 -7.721 -0.073 0.00
|
||||
H2O 5.551e+01 9.990e-01 1.744 -0.000 0.000 18.07
|
||||
C(-4) 1.591e-14
|
||||
CH4 1.591e-14 1.613e-14 -13.798 -13.792 0.006 32.22
|
||||
C(4) 3.553e-04
|
||||
HCO3- 3.135e-04 2.562e-04 -3.504 -3.591 -0.088 24.92
|
||||
CaHCO3+ 2.095e-05 1.713e-05 -4.679 -4.766 -0.088 9.88
|
||||
C(4) 3.552e-04
|
||||
HCO3- 3.135e-04 2.563e-04 -3.504 -3.591 -0.088 24.92
|
||||
CaHCO3+ 2.081e-05 1.713e-05 -4.682 -4.766 -0.085 9.88
|
||||
CO2 1.081e-05 1.096e-05 -4.966 -4.960 0.006 30.26
|
||||
CaCO3 5.487e-06 5.565e-06 -5.261 -5.255 0.006 -14.60
|
||||
NaHCO3 3.004e-06 3.046e-06 -5.522 -5.516 0.006 29.13
|
||||
CO3-2 1.416e-06 6.323e-07 -5.849 -6.199 -0.350 -3.14
|
||||
NaCO3- 1.728e-07 1.400e-07 -6.762 -6.854 -0.092 -2.36
|
||||
NaHCO3 3.004e-06 3.047e-06 -5.522 -5.516 0.006 29.13
|
||||
CO3-2 1.416e-06 6.324e-07 -5.849 -6.199 -0.350 -3.14
|
||||
NaCO3- 1.713e-07 1.400e-07 -6.766 -6.854 -0.088 -2.36
|
||||
FeHCO3+ 8.432e-10 6.828e-10 -9.074 -9.166 -0.092 (0)
|
||||
FeCO3 3.986e-10 4.042e-10 -9.399 -9.393 0.006 (0)
|
||||
Ca 1.618e-02
|
||||
Ca+2 1.168e-02 5.239e-03 -1.933 -2.281 -0.348 -17.03
|
||||
CaSO4 4.473e-03 4.536e-03 -2.349 -2.343 0.006 7.50
|
||||
CaHCO3+ 2.095e-05 1.713e-05 -4.679 -4.766 -0.088 9.88
|
||||
Ca+2 1.168e-02 5.238e-03 -1.933 -2.281 -0.348 -16.98
|
||||
CaSO4 4.474e-03 4.537e-03 -2.349 -2.343 0.006 7.50
|
||||
CaHCO3+ 2.081e-05 1.713e-05 -4.682 -4.766 -0.085 9.88
|
||||
CaCO3 5.487e-06 5.565e-06 -5.261 -5.255 0.006 -14.60
|
||||
CaOH+ 5.644e-08 4.570e-08 -7.248 -7.340 -0.092 (0)
|
||||
CaHSO4+ 6.997e-10 5.666e-10 -9.155 -9.247 -0.092 (0)
|
||||
CaOH+ 5.554e-08 4.570e-08 -7.255 -7.340 -0.085 (0)
|
||||
CaHSO4+ 6.998e-10 5.667e-10 -9.155 -9.247 -0.092 (0)
|
||||
Cl 1.500e-02
|
||||
Cl- 1.500e-02 1.200e-02 -1.824 -1.921 -0.097 18.26
|
||||
FeCl+ 5.449e-10 4.412e-10 -9.264 -9.355 -0.092 (0)
|
||||
FeCl+2 5.793e-25 2.491e-25 -24.237 -24.604 -0.366 (0)
|
||||
FeCl2+ 1.648e-26 1.335e-26 -25.783 -25.875 -0.092 (0)
|
||||
FeCl+ 5.448e-10 4.412e-10 -9.264 -9.355 -0.092 (0)
|
||||
FeCl+2 5.683e-25 2.491e-25 -24.245 -24.604 -0.358 (0)
|
||||
FeCl2+ 1.640e-26 1.335e-26 -25.785 -25.875 -0.090 (0)
|
||||
FeCl3 1.579e-29 1.601e-29 -28.802 -28.796 0.006 (0)
|
||||
Fe(2) 8.320e-08
|
||||
Fe+2 5.812e-08 2.665e-08 -7.236 -7.574 -0.339 -21.35
|
||||
FeSO4 2.275e-08 2.307e-08 -7.643 -7.637 0.006 (0)
|
||||
Fe+2 5.811e-08 2.665e-08 -7.236 -7.574 -0.339 -21.35
|
||||
FeSO4 2.275e-08 2.308e-08 -7.643 -7.637 0.006 (0)
|
||||
FeHCO3+ 8.432e-10 6.828e-10 -9.074 -9.166 -0.092 (0)
|
||||
FeOH+ 5.470e-10 4.430e-10 -9.262 -9.354 -0.092 (0)
|
||||
FeCl+ 5.449e-10 4.412e-10 -9.264 -9.355 -0.092 (0)
|
||||
FeCl+ 5.448e-10 4.412e-10 -9.264 -9.355 -0.092 (0)
|
||||
FeOH+ 5.444e-10 4.430e-10 -9.264 -9.354 -0.090 (0)
|
||||
FeCO3 3.986e-10 4.042e-10 -9.399 -9.393 0.006 (0)
|
||||
FeHSO4+ 3.559e-15 2.882e-15 -14.449 -14.540 -0.092 (0)
|
||||
Fe(OH)2 1.954e-13 1.982e-13 -12.709 -12.703 0.006 (0)
|
||||
FeHSO4+ 3.560e-15 2.883e-15 -14.449 -14.540 -0.092 (0)
|
||||
Fe(OH)3- 4.757e-16 3.871e-16 -15.323 -15.412 -0.090 (0)
|
||||
Fe(HS)2 1.442e-18 1.463e-18 -17.841 -17.835 0.006 (0)
|
||||
Fe(HS)3- 4.882e-26 3.953e-26 -25.311 -25.403 -0.092 (0)
|
||||
Fe(3) 3.378e-14
|
||||
Fe(3) 3.372e-14
|
||||
Fe(OH)3 2.713e-14 2.752e-14 -13.567 -13.560 0.006 (0)
|
||||
Fe(OH)2+ 5.017e-15 4.063e-15 -14.300 -14.391 -0.092 (0)
|
||||
Fe(OH)4- 1.629e-15 1.319e-15 -14.788 -14.880 -0.092 (0)
|
||||
FeOH+2 5.428e-19 2.334e-19 -18.265 -18.632 -0.366 (0)
|
||||
FeSO4+ 4.534e-23 3.672e-23 -22.344 -22.435 -0.092 (0)
|
||||
Fe(SO4)2- 4.830e-24 3.911e-24 -23.316 -23.408 -0.092 (0)
|
||||
Fe(OH)2+ 4.970e-15 4.063e-15 -14.304 -14.391 -0.088 (0)
|
||||
Fe(OH)4- 1.614e-15 1.319e-15 -14.792 -14.880 -0.088 (0)
|
||||
FeOH+2 5.325e-19 2.334e-19 -18.274 -18.632 -0.358 (0)
|
||||
FeSO4+ 4.513e-23 3.672e-23 -22.346 -22.435 -0.090 (0)
|
||||
Fe(SO4)2- 4.831e-24 3.912e-24 -23.316 -23.408 -0.092 (0)
|
||||
Fe+3 3.106e-24 6.877e-25 -23.508 -24.163 -0.655 (0)
|
||||
FeCl+2 5.793e-25 2.491e-25 -24.237 -24.604 -0.366 (0)
|
||||
FeCl2+ 1.648e-26 1.335e-26 -25.783 -25.875 -0.092 (0)
|
||||
FeCl+2 5.683e-25 2.491e-25 -24.245 -24.604 -0.358 (0)
|
||||
FeCl2+ 1.640e-26 1.335e-26 -25.785 -25.875 -0.090 (0)
|
||||
FeCl3 1.579e-29 1.601e-29 -28.802 -28.796 0.006 (0)
|
||||
FeHSO4+2 4.345e-30 1.869e-30 -29.362 -29.728 -0.366 (0)
|
||||
Fe2(OH)2+4 4.287e-35 1.466e-36 -34.368 -35.834 -1.466 (0)
|
||||
Fe2(OH)2+4 4.286e-35 1.466e-36 -34.368 -35.834 -1.466 (0)
|
||||
Fe3(OH)4+5 0.000e+00 0.000e+00 -45.614 -47.905 -2.290 (0)
|
||||
H(0) 6.905e-12
|
||||
H(0) 6.904e-12
|
||||
H2 3.452e-12 3.501e-12 -11.462 -11.456 0.006 28.61
|
||||
Na 1.500e-02
|
||||
Na+ 1.464e-02 1.189e-02 -1.834 -1.925 -0.090 -1.02
|
||||
NaSO4- 3.582e-04 2.901e-04 -3.446 -3.537 -0.092 27.76
|
||||
NaHCO3 3.004e-06 3.046e-06 -5.522 -5.516 0.006 29.13
|
||||
NaCO3- 1.728e-07 1.400e-07 -6.762 -6.854 -0.092 -2.36
|
||||
NaOH 6.175e-19 6.263e-19 -18.209 -18.203 0.006 (0)
|
||||
Na+ 1.464e-02 1.189e-02 -1.834 -1.925 -0.090 -1.01
|
||||
NaSO4- 3.550e-04 2.902e-04 -3.450 -3.537 -0.088 27.76
|
||||
NaHCO3 3.004e-06 3.047e-06 -5.522 -5.516 0.006 29.13
|
||||
NaCO3- 1.713e-07 1.400e-07 -6.766 -6.854 -0.088 -2.36
|
||||
O(0) 0.000e+00
|
||||
O2 0.000e+00 0.000e+00 -69.475 -69.469 0.006 30.40
|
||||
S(-2) 3.517e-10
|
||||
@ -919,15 +931,15 @@ S(-2) 3.517e-10
|
||||
Fe(HS)2 1.442e-18 1.463e-18 -17.841 -17.835 0.006 (0)
|
||||
Fe(HS)3- 4.882e-26 3.953e-26 -25.311 -25.403 -0.092 (0)
|
||||
S(6) 1.600e-02
|
||||
SO4-2 1.117e-02 4.869e-03 -1.952 -2.313 -0.361 13.55
|
||||
CaSO4 4.473e-03 4.536e-03 -2.349 -2.343 0.006 7.50
|
||||
NaSO4- 3.582e-04 2.901e-04 -3.446 -3.537 -0.092 27.76
|
||||
FeSO4 2.275e-08 2.307e-08 -7.643 -7.637 0.006 (0)
|
||||
HSO4- 1.111e-08 8.997e-09 -7.954 -8.046 -0.092 35.37
|
||||
CaHSO4+ 6.997e-10 5.666e-10 -9.155 -9.247 -0.092 (0)
|
||||
FeHSO4+ 3.559e-15 2.882e-15 -14.449 -14.540 -0.092 (0)
|
||||
FeSO4+ 4.534e-23 3.672e-23 -22.344 -22.435 -0.092 (0)
|
||||
Fe(SO4)2- 4.830e-24 3.911e-24 -23.316 -23.408 -0.092 (0)
|
||||
SO4-2 1.117e-02 4.870e-03 -1.952 -2.312 -0.361 13.57
|
||||
CaSO4 4.474e-03 4.537e-03 -2.349 -2.343 0.006 7.50
|
||||
NaSO4- 3.550e-04 2.902e-04 -3.450 -3.537 -0.088 27.76
|
||||
FeSO4 2.275e-08 2.308e-08 -7.643 -7.637 0.006 (0)
|
||||
HSO4- 1.113e-08 8.998e-09 -7.954 -8.046 -0.092 35.37
|
||||
CaHSO4+ 6.998e-10 5.667e-10 -9.155 -9.247 -0.092 (0)
|
||||
FeHSO4+ 3.560e-15 2.883e-15 -14.449 -14.540 -0.092 (0)
|
||||
FeSO4+ 4.513e-23 3.672e-23 -22.346 -22.435 -0.090 (0)
|
||||
Fe(SO4)2- 4.831e-24 3.912e-24 -23.316 -23.408 -0.092 (0)
|
||||
FeHSO4+2 4.345e-30 1.869e-30 -29.362 -29.728 -0.366 (0)
|
||||
|
||||
------------------------------Saturation indices-------------------------------
|
||||
@ -936,7 +948,7 @@ S(6) 1.600e-02
|
||||
|
||||
Anhydrite -0.35 -4.59 -4.24 CaSO4
|
||||
Aragonite -0.14 -8.48 -8.34 CaCO3
|
||||
Calcite -0.00 -8.48 -8.48 CaCO3
|
||||
Calcite 0.00 -8.48 -8.48 CaCO3
|
||||
CH4(g) -10.95 -13.79 -2.84 CH4
|
||||
CO2(g) -3.50 -4.96 -1.46 CO2 Pressure 0.0 atm, phi 1.000.
|
||||
Fe(OH)3(a) -5.89 -1.00 4.89 Fe(OH)3
|
||||
@ -951,7 +963,7 @@ S(6) 1.600e-02
|
||||
Mackinawite -4.81 -9.46 -4.65 FeS
|
||||
Melanterite -7.68 -9.89 -2.21 FeSO4:7H2O
|
||||
O2(g) -66.58 -69.47 -2.89 O2
|
||||
Pyrite -0.00 -18.48 -18.48 FeS2
|
||||
Pyrite 0.00 -18.48 -18.48 FeS2
|
||||
Siderite -2.88 -13.77 -10.89 FeCO3
|
||||
Sulfur -6.96 -2.08 4.88 S
|
||||
|
||||
@ -984,124 +996,126 @@ Reaction 1.
|
||||
Phase SI log IAP log K(T, P) Initial Final Delta
|
||||
|
||||
CO2(g) -3.50 -4.96 -1.46 1.000e+01 1.003e+01 2.649e-02
|
||||
Calcite -0.00 -8.48 -8.48 1.000e+01 9.973e+00 -2.684e-02
|
||||
Goethite -0.00 -1.00 -1.00 1.000e+01 1.001e+01 1.333e-02
|
||||
Gypsum -0.00 -4.58 -4.58 0.000e+00 9.548e-03 9.548e-03
|
||||
Calcite 0.00 -8.48 -8.48 1.000e+01 9.973e+00 -2.684e-02
|
||||
Goethite 0.00 -1.00 -1.00 1.000e+01 1.001e+01 1.333e-02
|
||||
Gypsum -0.00 -4.58 -4.58 0.000e+00 9.551e-03 9.551e-03
|
||||
Pyrite -0.00 -18.48 -18.48 1.000e+01 9.987e+00 -1.333e-02
|
||||
|
||||
-----------------------------Solution composition------------------------------
|
||||
|
||||
Elements Molality Moles
|
||||
|
||||
C 3.580e-04 3.579e-04
|
||||
Ca 1.730e-02 1.730e-02
|
||||
C 3.579e-04 3.577e-04
|
||||
Ca 1.730e-02 1.729e-02
|
||||
Cl 2.501e-02 2.500e-02
|
||||
Fe 8.880e-08 8.876e-08
|
||||
Fe 8.878e-08 8.874e-08
|
||||
Na 2.501e-02 2.500e-02
|
||||
S 1.713e-02 1.712e-02
|
||||
S 1.712e-02 1.712e-02
|
||||
|
||||
----------------------------Description of solution----------------------------
|
||||
|
||||
pH = 7.715 Charge balance
|
||||
pe = -3.561 Adjusted to redox equilibrium
|
||||
Specific Conductance (uS/cm, 25 oC) = 5117
|
||||
Density (g/cm3) = 1.00042
|
||||
Density (g/cm3) = 1.00041
|
||||
Volume (L) = 1.00405
|
||||
Activity of water = 0.999
|
||||
Ionic strength = 7.439e-02
|
||||
Mass of water (kg) = 9.995e-01
|
||||
Total alkalinity (eq/kg) = 3.551e-04
|
||||
Total CO2 (mol/kg) = 3.580e-04
|
||||
Total alkalinity (eq/kg) = 3.550e-04
|
||||
Total CO2 (mol/kg) = 3.579e-04
|
||||
Temperature (deg C) = 25.00
|
||||
Electrical balance (eq) = -1.893e-10
|
||||
Electrical balance (eq) = -1.685e-10
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
|
||||
Iterations = 27
|
||||
Iterations = 25
|
||||
Total H = 1.109609e+02
|
||||
Total O = 5.554982e+01
|
||||
Total O = 5.554980e+01
|
||||
|
||||
----------------------------Distribution of species----------------------------
|
||||
|
||||
Log Log Log mole V
|
||||
Species Molality Activity Molality Activity Gamma cm3/mol
|
||||
|
||||
OH- 6.631e-07 5.196e-07 -6.178 -6.284 -0.106 -3.73
|
||||
H+ 2.300e-08 1.926e-08 -7.638 -7.715 -0.077 0.00
|
||||
OH- 6.632e-07 5.197e-07 -6.178 -6.284 -0.106 -3.73
|
||||
H+ 2.299e-08 1.926e-08 -7.638 -7.715 -0.077 0.00
|
||||
H2O 5.551e+01 9.986e-01 1.744 -0.001 0.000 18.07
|
||||
C(-4) 1.532e-14
|
||||
CH4 1.532e-14 1.559e-14 -13.815 -13.807 0.007 32.22
|
||||
C(4) 3.580e-04
|
||||
HCO3- 3.136e-04 2.527e-04 -3.504 -3.597 -0.094 24.98
|
||||
CaHCO3+ 2.154e-05 1.736e-05 -4.667 -4.761 -0.094 9.90
|
||||
C(4) 3.579e-04
|
||||
HCO3- 3.137e-04 2.528e-04 -3.504 -3.597 -0.094 24.98
|
||||
CaHCO3+ 2.137e-05 1.736e-05 -4.670 -4.761 -0.090 9.90
|
||||
CO2 1.077e-05 1.096e-05 -4.968 -4.960 0.007 30.26
|
||||
CaCO3 5.470e-06 5.565e-06 -5.262 -5.255 0.007 -14.60
|
||||
NaHCO3 4.852e-06 4.936e-06 -5.314 -5.307 0.007 29.13
|
||||
CO3-2 1.459e-06 6.154e-07 -5.836 -6.211 -0.375 -3.04
|
||||
NaCO3- 2.804e-07 2.238e-07 -6.552 -6.650 -0.098 -2.27
|
||||
FeHCO3+ 8.636e-10 6.893e-10 -9.064 -9.162 -0.098 (0)
|
||||
NaHCO3 4.854e-06 4.938e-06 -5.314 -5.306 0.007 29.13
|
||||
CO3-2 1.460e-06 6.156e-07 -5.836 -6.211 -0.375 -3.04
|
||||
NaCO3- 2.778e-07 2.239e-07 -6.556 -6.650 -0.094 -2.27
|
||||
FeHCO3+ 8.635e-10 6.892e-10 -9.064 -9.162 -0.098 (0)
|
||||
FeCO3 3.958e-10 4.026e-10 -9.403 -9.395 0.007 (0)
|
||||
Ca 1.730e-02
|
||||
Ca+2 1.268e-02 5.383e-03 -1.897 -2.269 -0.372 -16.99
|
||||
Ca+2 1.267e-02 5.382e-03 -1.897 -2.269 -0.372 -16.94
|
||||
CaSO4 4.601e-03 4.680e-03 -2.337 -2.330 0.007 7.50
|
||||
CaHCO3+ 2.154e-05 1.736e-05 -4.667 -4.761 -0.094 9.90
|
||||
CaHCO3+ 2.137e-05 1.736e-05 -4.670 -4.761 -0.090 9.90
|
||||
CaCO3 5.470e-06 5.565e-06 -5.262 -5.255 0.007 -14.60
|
||||
CaOH+ 5.803e-08 4.632e-08 -7.236 -7.334 -0.098 (0)
|
||||
CaHSO4+ 7.424e-10 5.925e-10 -9.129 -9.227 -0.098 (0)
|
||||
CaOH+ 5.704e-08 4.631e-08 -7.244 -7.334 -0.090 (0)
|
||||
CaHSO4+ 7.423e-10 5.924e-10 -9.129 -9.227 -0.098 (0)
|
||||
Cl 2.501e-02
|
||||
Cl- 2.501e-02 1.965e-02 -1.602 -1.707 -0.105 18.29
|
||||
FeCl+ 9.268e-10 7.397e-10 -9.033 -9.131 -0.098 (0)
|
||||
FeCl+2 1.048e-24 4.251e-25 -23.980 -24.371 -0.392 (0)
|
||||
FeCl2+ 4.675e-26 3.731e-26 -25.330 -25.428 -0.098 (0)
|
||||
FeCl3 7.208e-29 7.332e-29 -28.142 -28.135 0.007 (0)
|
||||
Fe(2) 8.880e-08
|
||||
Fe+2 6.274e-08 2.727e-08 -7.202 -7.564 -0.362 -21.25
|
||||
FeCl+ 9.266e-10 7.395e-10 -9.033 -9.131 -0.098 (0)
|
||||
FeCl+2 1.030e-24 4.250e-25 -23.987 -24.372 -0.384 (0)
|
||||
FeCl2+ 4.654e-26 3.730e-26 -25.332 -25.428 -0.096 (0)
|
||||
FeCl3 7.206e-29 7.330e-29 -28.142 -28.135 0.007 (0)
|
||||
Fe(2) 8.878e-08
|
||||
Fe+2 6.273e-08 2.726e-08 -7.203 -7.564 -0.362 -21.25
|
||||
FeSO4 2.331e-08 2.371e-08 -7.632 -7.625 0.007 (0)
|
||||
FeCl+ 9.268e-10 7.397e-10 -9.033 -9.131 -0.098 (0)
|
||||
FeHCO3+ 8.636e-10 6.893e-10 -9.064 -9.162 -0.098 (0)
|
||||
FeOH+ 5.602e-10 4.471e-10 -9.252 -9.350 -0.098 (0)
|
||||
FeCl+ 9.266e-10 7.395e-10 -9.033 -9.131 -0.098 (0)
|
||||
FeHCO3+ 8.635e-10 6.892e-10 -9.064 -9.162 -0.098 (0)
|
||||
FeOH+ 5.578e-10 4.471e-10 -9.254 -9.350 -0.096 (0)
|
||||
FeCO3 3.958e-10 4.026e-10 -9.403 -9.395 0.007 (0)
|
||||
Fe(OH)2 1.940e-13 1.973e-13 -12.712 -12.705 0.007 (0)
|
||||
FeHSO4+ 3.761e-15 3.002e-15 -14.425 -14.523 -0.098 (0)
|
||||
Fe(OH)3- 4.743e-16 3.802e-16 -15.324 -15.420 -0.096 (0)
|
||||
Fe(HS)2 1.425e-18 1.450e-18 -17.846 -17.839 0.007 (0)
|
||||
Fe(HS)3- 4.832e-26 3.857e-26 -25.316 -25.414 -0.098 (0)
|
||||
Fe(3) 3.383e-14
|
||||
Fe(HS)3- 4.833e-26 3.857e-26 -25.316 -25.414 -0.098 (0)
|
||||
Fe(3) 3.376e-14
|
||||
Fe(OH)3 2.704e-14 2.751e-14 -13.568 -13.561 0.007 (0)
|
||||
Fe(OH)2+ 5.159e-15 4.118e-15 -14.287 -14.385 -0.098 (0)
|
||||
Fe(OH)4- 1.630e-15 1.301e-15 -14.788 -14.886 -0.098 (0)
|
||||
FeOH+2 5.910e-19 2.398e-19 -18.228 -18.620 -0.392 (0)
|
||||
FeSO4+ 4.812e-23 3.841e-23 -22.318 -22.416 -0.098 (0)
|
||||
Fe(SO4)2- 5.147e-24 4.108e-24 -23.288 -23.386 -0.098 (0)
|
||||
Fe+3 3.534e-24 7.164e-25 -23.452 -24.145 -0.693 (0)
|
||||
FeCl+2 1.048e-24 4.251e-25 -23.980 -24.371 -0.392 (0)
|
||||
FeCl2+ 4.675e-26 3.731e-26 -25.330 -25.428 -0.098 (0)
|
||||
FeCl3 7.208e-29 7.332e-29 -28.142 -28.135 0.007 (0)
|
||||
FeHSO4+2 4.881e-30 1.981e-30 -29.311 -29.703 -0.392 (0)
|
||||
Fe2(OH)2+4 5.707e-35 1.548e-36 -34.244 -35.810 -1.567 (0)
|
||||
Fe(OH)2+ 5.109e-15 4.117e-15 -14.292 -14.385 -0.094 (0)
|
||||
Fe(OH)4- 1.614e-15 1.301e-15 -14.792 -14.886 -0.094 (0)
|
||||
FeOH+2 5.809e-19 2.398e-19 -18.236 -18.620 -0.384 (0)
|
||||
FeSO4+ 4.791e-23 3.840e-23 -22.320 -22.416 -0.096 (0)
|
||||
Fe(SO4)2- 5.148e-24 4.109e-24 -23.288 -23.386 -0.098 (0)
|
||||
Fe+3 3.533e-24 7.162e-25 -23.452 -24.145 -0.693 (0)
|
||||
FeCl+2 1.030e-24 4.250e-25 -23.987 -24.372 -0.384 (0)
|
||||
FeCl2+ 4.654e-26 3.730e-26 -25.332 -25.428 -0.096 (0)
|
||||
FeCl3 7.206e-29 7.330e-29 -28.142 -28.135 0.007 (0)
|
||||
FeHSO4+2 4.880e-30 1.980e-30 -29.312 -29.703 -0.392 (0)
|
||||
Fe2(OH)2+4 5.705e-35 1.547e-36 -34.244 -35.810 -1.567 (0)
|
||||
Fe3(OH)4+5 0.000e+00 0.000e+00 -45.428 -47.876 -2.448 (0)
|
||||
H(0) 6.823e-12
|
||||
H2 3.412e-12 3.471e-12 -11.467 -11.460 0.007 28.61
|
||||
Na 2.501e-02
|
||||
Na+ 2.441e-02 1.953e-02 -1.612 -1.709 -0.097 -1.01
|
||||
NaSO4- 5.996e-04 4.786e-04 -3.222 -3.320 -0.098 27.85
|
||||
NaHCO3 4.852e-06 4.936e-06 -5.314 -5.307 0.007 29.13
|
||||
NaCO3- 2.804e-07 2.238e-07 -6.552 -6.650 -0.098 -2.27
|
||||
NaOH 9.976e-19 1.015e-18 -18.001 -17.994 0.007 (0)
|
||||
Na+ 2.441e-02 1.953e-02 -1.612 -1.709 -0.097 -0.99
|
||||
NaSO4- 5.941e-04 4.788e-04 -3.226 -3.320 -0.094 27.85
|
||||
NaHCO3 4.854e-06 4.938e-06 -5.314 -5.306 0.007 29.13
|
||||
NaCO3- 2.778e-07 2.239e-07 -6.556 -6.650 -0.094 -2.27
|
||||
O(0) 0.000e+00
|
||||
O2 0.000e+00 0.000e+00 -69.469 -69.462 0.007 30.40
|
||||
S(-2) 3.521e-10
|
||||
S(-2) 3.522e-10
|
||||
HS- 3.117e-10 2.443e-10 -9.506 -9.612 -0.106 20.83
|
||||
H2S 4.043e-11 4.113e-11 -10.393 -10.386 0.007 37.16
|
||||
S-2 3.711e-15 1.532e-15 -14.431 -14.815 -0.384 (0)
|
||||
S-2 3.712e-15 1.532e-15 -14.430 -14.815 -0.384 (0)
|
||||
Fe(HS)2 1.425e-18 1.450e-18 -17.846 -17.839 0.007 (0)
|
||||
Fe(HS)3- 4.832e-26 3.857e-26 -25.316 -25.414 -0.098 (0)
|
||||
S(6) 1.713e-02
|
||||
SO4-2 1.193e-02 4.889e-03 -1.923 -2.311 -0.387 13.56
|
||||
Fe(HS)3- 4.833e-26 3.857e-26 -25.316 -25.414 -0.098 (0)
|
||||
S(6) 1.712e-02
|
||||
SO4-2 1.193e-02 4.891e-03 -1.923 -2.311 -0.387 13.58
|
||||
CaSO4 4.601e-03 4.680e-03 -2.337 -2.330 0.007 7.50
|
||||
NaSO4- 5.996e-04 4.786e-04 -3.222 -3.320 -0.098 27.85
|
||||
NaSO4- 5.941e-04 4.788e-04 -3.226 -3.320 -0.094 27.85
|
||||
FeSO4 2.331e-08 2.371e-08 -7.632 -7.625 0.007 (0)
|
||||
HSO4- 1.147e-08 9.156e-09 -7.940 -8.038 -0.098 35.39
|
||||
CaHSO4+ 7.424e-10 5.925e-10 -9.129 -9.227 -0.098 (0)
|
||||
HSO4- 1.150e-08 9.157e-09 -7.939 -8.038 -0.099 35.39
|
||||
CaHSO4+ 7.423e-10 5.924e-10 -9.129 -9.227 -0.098 (0)
|
||||
FeHSO4+ 3.761e-15 3.002e-15 -14.425 -14.523 -0.098 (0)
|
||||
FeSO4+ 4.812e-23 3.841e-23 -22.318 -22.416 -0.098 (0)
|
||||
Fe(SO4)2- 5.147e-24 4.108e-24 -23.288 -23.386 -0.098 (0)
|
||||
FeHSO4+2 4.881e-30 1.981e-30 -29.311 -29.703 -0.392 (0)
|
||||
FeSO4+ 4.791e-23 3.840e-23 -22.320 -22.416 -0.096 (0)
|
||||
Fe(SO4)2- 5.148e-24 4.109e-24 -23.288 -23.386 -0.098 (0)
|
||||
FeHSO4+2 4.880e-30 1.980e-30 -29.312 -29.703 -0.392 (0)
|
||||
|
||||
------------------------------Saturation indices-------------------------------
|
||||
|
||||
@ -1109,12 +1123,12 @@ S(6) 1.713e-02
|
||||
|
||||
Anhydrite -0.34 -4.58 -4.24 CaSO4
|
||||
Aragonite -0.14 -8.48 -8.34 CaCO3
|
||||
Calcite -0.00 -8.48 -8.48 CaCO3
|
||||
Calcite 0.00 -8.48 -8.48 CaCO3
|
||||
CH4(g) -10.96 -13.81 -2.84 CH4
|
||||
CO2(g) -3.50 -4.96 -1.46 CO2 Pressure 0.0 atm, phi 1.000.
|
||||
Fe(OH)3(a) -5.89 -1.00 4.89 Fe(OH)3
|
||||
FeS(ppt) -5.55 -9.46 -3.92 FeS
|
||||
Goethite -0.00 -1.00 -1.00 FeOOH
|
||||
Goethite 0.00 -1.00 -1.00 FeOOH
|
||||
Gypsum -0.00 -4.58 -4.58 CaSO4:2H2O
|
||||
H2(g) -8.36 -11.46 -3.10 H2
|
||||
H2O(g) -1.50 -0.00 1.50 H2O
|
||||
@ -1138,6 +1152,6 @@ Reading input data for simulation 2.
|
||||
------------------------------------
|
||||
|
||||
------------------------------
|
||||
End of Run after 0.05 Seconds.
|
||||
End of Run after 0.04 Seconds.
|
||||
------------------------------
|
||||
|
||||
|
||||
10
ex5.sel
10
ex5.sel
@ -1,8 +1,8 @@
|
||||
sim state soln dist_x time step pH pe Cl pyrite d_pyrite goethite d_goethite calcite d_calcite CO2(g) d_CO2(g) gypsum d_gypsum si_Gypsum
|
||||
1 i_soln 1 -99 -99 -99 7 4 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 -999.9990
|
||||
1 react 1 -99 0 1 8.274 -4.93645 0.0000e+00 1.0000e+01 -3.1345e-08 1.0000e+01 1.0442e-08 9.9995e+00 -4.9642e-04 9.9995e+00 -4.9025e-04 0.0000e+00 0.0000e+00 -6.1259
|
||||
1 react 1 -99 0 2 8.16568 -4.2798 5.0000e-04 9.9997e+00 -2.6667e-04 1.0000e+01 2.6666e-04 9.9991e+00 -9.2993e-04 1.0000e+01 1.3929e-04 0.0000e+00 0.0000e+00 -2.0135
|
||||
1 react 1 -99 0 1 8.274 -4.93645 0.0000e+00 1.0000e+01 -3.1345e-08 1.0000e+01 1.0441e-08 9.9995e+00 -4.9642e-04 9.9995e+00 -4.9025e-04 0.0000e+00 0.0000e+00 -6.1259
|
||||
1 react 1 -99 0 2 8.16568 -4.2798 5.0000e-04 9.9997e+00 -2.6667e-04 1.0000e+01 2.6666e-04 9.9991e+00 -9.2992e-04 1.0000e+01 1.3929e-04 0.0000e+00 0.0000e+00 -2.0135
|
||||
1 react 1 -99 0 3 7.97541 -3.96118 2.5000e-03 9.9987e+00 -1.3333e-03 1.0001e+01 1.3333e-03 9.9971e+00 -2.9385e-03 1.0002e+01 2.3937e-03 0.0000e+00 0.0000e+00 -1.0512
|
||||
1 react 1 -99 0 4 7.87673 -3.80697 5.0001e-03 9.9973e+00 -2.6667e-03 1.0003e+01 2.6666e-03 9.9944e+00 -5.5602e-03 1.0005e+01 5.1043e-03 0.0000e+00 0.0000e+00 -0.6352
|
||||
1 react 1 -99 0 5 7.72114 -3.56824 1.5001e-02 9.9920e+00 -8.0000e-03 1.0008e+01 7.9999e-03 9.9838e+00 -1.6176e-02 1.0016e+01 1.5821e-02 0.0000e+00 0.0000e+00 -0.0133
|
||||
1 react 1 -99 0 6 7.71534 -3.56054 2.5012e-02 9.9867e+00 -1.3333e-02 1.0013e+01 1.3333e-02 9.9732e+00 -2.6844e-02 1.0026e+01 2.6486e-02 9.5479e-03 9.5479e-03 -0.0000
|
||||
1 react 1 -99 0 4 7.87673 -3.80697 5.0001e-03 9.9973e+00 -2.6667e-03 1.0003e+01 2.6666e-03 9.9944e+00 -5.5601e-03 1.0005e+01 5.1044e-03 0.0000e+00 0.0000e+00 -0.6352
|
||||
1 react 1 -99 0 5 7.72116 -3.56824 1.5001e-02 9.9920e+00 -8.0000e-03 1.0008e+01 7.9999e-03 9.9838e+00 -1.6176e-02 1.0016e+01 1.5821e-02 0.0000e+00 0.0000e+00 -0.0132
|
||||
1 react 1 -99 0 6 7.71539 -3.56058 2.5012e-02 9.9867e+00 -1.3333e-02 1.0013e+01 1.3333e-02 9.9732e+00 -2.6844e-02 1.0026e+01 2.6486e-02 9.5508e-03 9.5508e-03 0.0000
|
||||
|
||||
38
ex6A-B.sel
38
ex6A-B.sel
@ -1,22 +1,22 @@
|
||||
sim state soln dist_x time step pH pe la_K+ la_H+ la_H4SiO4 Gibbsite d_Gibbsite Kaolinite d_Kaolinite K-mica d_K-mica K-feldspar d_K-feldspar si_Gibbsite si_Kaolinite si_K-mica si_K-feldspar
|
||||
1 i_soln 1 -99 -99 -99 6.99952 4 -1.0000e+03 -6.9995e+00 -1.0000e+03 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 -999.9990 -999.9990 -999.9990 -999.9990
|
||||
2 react 1 -99 0 1 7.00585 10.389 -7.5737e+00 -7.0058e+00 -7.0971e+00 1.0000e+01 -2.6696e-08 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 -0.0000 -3.8042 -10.6822 -14.6852
|
||||
3 react 1 -99 0 1 8.21212 9.18252 -5.6625e+00 -8.2121e+00 -5.1950e+00 1.7823e-06 1.7823e-06 1.0000e+01 -2.1788e-06 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000 -0.0000 -1.8584 -5.8614
|
||||
4 react 1 -99 0 1 9.10872 8.28591 -4.7007e+00 -9.1087e+00 -4.4668e+00 0.0000e+00 0.0000e+00 9.7196e-06 9.7196e-06 1.0000e+01 -2.0024e-05 0.0000e+00 0.0000e+00 -0.7282 0.0000 0.0000 -2.5466
|
||||
5 react 1 -99 0 1 9.38917 8.00538 -3.9009e+00 -9.3892e+00 -3.5536e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 6.3608e-05 6.3608e-05 9.9998e+00 -1.9088e-04 -2.0015 -0.7202 0.0000 0.0000
|
||||
6 react 1 -99 0 1 8.35368 9.04097 -5.5204e+00 -8.3537e+00 -5.1950e+00 1.0000e+01 -3.0233e-06 1.0000e+00 1.2372e-06 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 -0.0000 -0.0000 -1.5747 -5.5777
|
||||
7 react 1 -99 0 1 9.06981 -3.25856 -4.6618e+00 -9.0698e+00 -4.2520e+00 0.0000e+00 0.0000e+00 1.0000e+01 -3.2696e-05 1.0000e+00 1.0790e-05 0.0000e+00 0.0000e+00 -0.9430 -0.0000 -0.0000 -2.1170
|
||||
8 react 1 -99 0 1 7.0312 -1.25099 -7.3981e+00 -7.0312e+00 -6.9215e+00 1.1879e-08 1.1879e-08 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000 -3.4530 -9.9544 -13.9574
|
||||
8 react 1 -99 0 2 7.10551 10.7173 -7.0971e+00 -7.1055e+00 -6.6206e+00 4.7153e-08 4.7153e-08 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 -0.0000 -2.8512 -8.6764 -12.6794
|
||||
8 react 1 -99 0 3 7.24081 -1.23107 -6.7961e+00 -7.2408e+00 -6.3199e+00 1.1605e-07 1.1605e-07 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 -0.0000 -2.2497 -7.3379 -11.3409
|
||||
8 react 1 -99 0 4 7.45103 -1.5913 -6.4952e+00 -7.4510e+00 -6.0195e+00 2.4999e-07 2.4999e-07 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 -0.0000 -1.6491 -5.9257 -9.9287
|
||||
8 react 1 -99 0 5 7.7142 -2.00473 -6.1942e+00 -7.7142e+00 -5.7200e+00 5.1310e-07 5.1310e-07 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 -0.0000 -1.0500 -4.4630 -8.4660
|
||||
2 react 1 -99 0 1 7.00585 10.3888 -7.5737e+00 -7.0058e+00 -7.0971e+00 1.0000e+01 -2.6696e-08 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000 -3.8042 -10.6822 -14.6852
|
||||
3 react 1 -99 0 1 8.21212 9.18252 -5.6625e+00 -8.2121e+00 -5.1950e+00 1.7823e-06 1.7823e-06 1.0000e+01 -2.1788e-06 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000 0.0000 -1.8584 -5.8614
|
||||
4 react 1 -99 0 1 9.10872 8.28591 -4.7007e+00 -9.1087e+00 -4.4668e+00 0.0000e+00 0.0000e+00 9.7196e-06 9.7196e-06 1.0000e+01 -2.0024e-05 0.0000e+00 0.0000e+00 -0.7282 -0.0000 -0.0000 -2.5466
|
||||
5 react 1 -99 0 1 9.38917 8.00542 -3.9009e+00 -9.3892e+00 -3.5536e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 6.3608e-05 6.3608e-05 9.9998e+00 -1.9088e-04 -2.0015 -0.7202 -0.0000 -0.0000
|
||||
6 react 1 -99 0 1 8.35368 9.04097 -5.5204e+00 -8.3537e+00 -5.1950e+00 1.0000e+01 -3.0233e-06 1.0000e+00 1.2372e-06 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000 -0.0000 -1.5747 -5.5777
|
||||
7 react 1 -99 0 1 9.06981 -3.25856 -4.6618e+00 -9.0698e+00 -4.2520e+00 0.0000e+00 0.0000e+00 1.0000e+01 -3.2696e-05 1.0000e+00 1.0790e-05 0.0000e+00 0.0000e+00 -0.9430 0.0000 0.0000 -2.1170
|
||||
8 react 1 -99 0 1 7.0312 -1.25576 -7.3981e+00 -7.0312e+00 -6.9215e+00 1.1879e-08 1.1879e-08 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000 -3.4530 -9.9544 -13.9574
|
||||
8 react 1 -99 0 2 7.10551 11.4642 -7.0971e+00 -7.1055e+00 -6.6206e+00 4.7153e-08 4.7153e-08 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 -0.0000 -2.8512 -8.6764 -12.6794
|
||||
8 react 1 -99 0 3 7.24081 -1.23107 -6.7961e+00 -7.2408e+00 -6.3199e+00 1.1605e-07 1.1605e-07 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000 -2.2497 -7.3379 -11.3409
|
||||
8 react 1 -99 0 4 7.45103 -1.5913 -6.4952e+00 -7.4510e+00 -6.0195e+00 2.4999e-07 2.4999e-07 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000 -1.6491 -5.9257 -9.9287
|
||||
8 react 1 -99 0 5 7.7142 -2.00473 -6.1942e+00 -7.7142e+00 -5.7200e+00 5.1310e-07 5.1310e-07 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000 -1.0500 -4.4630 -8.4660
|
||||
8 react 1 -99 0 6 7.89513 9.81143 -6.0005e+00 -7.8951e+00 -5.5279e+00 8.0828e-07 8.0828e-07 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000 -0.6658 -3.5120 -7.5150
|
||||
8 react 1 -99 0 7 8.17766 9.60432 -5.6997e+00 -8.1777e+00 -5.2314e+00 1.6337e-06 1.6337e-06 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000 -0.0728 -2.0392 -6.0422
|
||||
8 react 1 -99 0 8 8.48365 -2.7691 -5.3990e+00 -8.4836e+00 -5.0859e+00 0.0000e+00 0.0000e+00 1.7122e-06 1.7122e-06 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 -0.1091 -0.0000 -1.3233 -5.1080
|
||||
8 react 1 -99 0 9 8.77841 8.98238 -5.0983e+00 -8.7784e+00 -4.8166e+00 0.0000e+00 0.0000e+00 3.6948e-06 3.6948e-06 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 -0.3784 0.0000 -0.7279 -3.9741
|
||||
8 react 1 -99 0 10 9.03436 -3.37687 -4.7979e+00 -9.0344e+00 -4.5514e+00 0.0000e+00 0.0000e+00 7.7009e-06 7.7009e-06 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 -0.6436 0.0000 -0.1716 -2.8873
|
||||
8 react 1 -99 0 11 9.07184 8.47363 -4.6638e+00 -9.0718e+00 -4.2616e+00 0.0000e+00 0.0000e+00 5.3767e-07 5.3767e-07 1.0197e-05 1.0197e-05 0.0000e+00 0.0000e+00 -0.9334 0.0000 0.0000 -2.1361
|
||||
8 react 1 -99 0 12 9.22497 8.39641 -4.3726e+00 -9.2250e+00 -3.9889e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 2.1273e-05 2.1273e-05 0.0000e+00 0.0000e+00 -1.3542 -0.2962 0.0000 -1.2945
|
||||
8 react 1 -99 0 13 9.30439 -3.51507 -4.1800e+00 -9.3044e+00 -3.8127e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 3.3294e-05 3.3294e-05 0.0000e+00 0.0000e+00 -1.6211 -0.4776 0.0000 -0.7607
|
||||
8 react 1 -99 0 14 9.38917 8.43756 -3.9009e+00 -9.3892e+00 -3.5536e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 6.3608e-05 6.3608e-05 9.1157e-06 9.1157e-06 -2.0015 -0.7202 -0.0000 -0.0000
|
||||
8 react 1 -99 0 7 8.17766 9.60482 -5.6997e+00 -8.1777e+00 -5.2314e+00 1.6337e-06 1.6337e-06 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000 -0.0728 -2.0392 -6.0422
|
||||
8 react 1 -99 0 8 8.48365 -2.7691 -5.3990e+00 -8.4837e+00 -5.0859e+00 0.0000e+00 0.0000e+00 1.7122e-06 1.7122e-06 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 -0.1091 0.0000 -1.3233 -5.1080
|
||||
8 react 1 -99 0 9 8.77841 8.98237 -5.0983e+00 -8.7784e+00 -4.8166e+00 0.0000e+00 0.0000e+00 3.6948e-06 3.6948e-06 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 -0.3784 -0.0000 -0.7279 -3.9741
|
||||
8 react 1 -99 0 10 9.03436 -3.37687 -4.7979e+00 -9.0344e+00 -4.5514e+00 0.0000e+00 0.0000e+00 7.7009e-06 7.7009e-06 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 -0.6436 -0.0000 -0.1716 -2.8873
|
||||
8 react 1 -99 0 11 9.07184 8.47361 -4.6638e+00 -9.0718e+00 -4.2616e+00 0.0000e+00 0.0000e+00 5.3753e-07 5.3753e-07 1.0197e-05 1.0197e-05 0.0000e+00 0.0000e+00 -0.9334 0.0000 0.0000 -2.1361
|
||||
8 react 1 -99 0 12 9.22498 8.39642 -4.3726e+00 -9.2250e+00 -3.9889e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 2.1273e-05 2.1273e-05 0.0000e+00 0.0000e+00 -1.3542 -0.2962 0.0000 -1.2945
|
||||
8 react 1 -99 0 13 9.30439 -3.515 -4.1800e+00 -9.3044e+00 -3.8127e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 3.3294e-05 3.3294e-05 0.0000e+00 0.0000e+00 -1.6211 -0.4776 -0.0000 -0.7607
|
||||
8 react 1 -99 0 14 9.38917 8.43763 -3.9009e+00 -9.3892e+00 -3.5536e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 6.3608e-05 6.3608e-05 9.1162e-06 9.1162e-06 -2.0015 -0.7202 -0.0000 0.0000
|
||||
|
||||
2
ex6C.sel
2
ex6C.sel
@ -4,7 +4,7 @@
|
||||
-8.5316e-01 -7.3798e+00
|
||||
3.5743e-01 -6.3763e+00
|
||||
2.1820e+00 -5.3818e+00
|
||||
4.1356e+00 -4.6004e+00
|
||||
4.1357e+00 -4.6004e+00
|
||||
5.2612e+00 -3.7187e+00
|
||||
5.4882e+00 -3.5536e+00
|
||||
8.0000e+00 -6.3924e+00
|
||||
|
||||
10
ex7.sel
10
ex7.sel
@ -1,11 +1,11 @@
|
||||
sim state reaction si_CO2(g) si_CH4(g) si_N2(g) si_NH3(g) pressure total mol volume g_CO2(g) g_CH4(g) g_N2(g) g_NH3(g)
|
||||
1 i_soln -99 -999.9990 -999.9990 -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
|
||||
1 react -99 -1.5001 -19.5887 -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
|
||||
1 react -99 -1.5001 -19.5895 -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
|
||||
2 react 1.0000e-03 -1.3566 -0.4572 -3.9823 -8.3839 1.1000e+00 1.0000e-25 3.0000e-27 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00
|
||||
2 react 2.0000e-03 -1.2487 -0.1562 -3.7283 -8.1845 1.1000e+00 1.0000e-25 3.0000e-27 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00
|
||||
2 react 3.0000e-03 -1.1633 -0.0015 -3.5874 -8.0880 1.1000e+00 7.9277e-05 2.3783e-06 4.9773e-06 7.2006e-05 1.8636e-08 0.0000e+00
|
||||
2 react 4.0000e-03 -1.0977 -0.0064 -3.4060 -8.0238 1.1000e+00 6.5544e-04 1.9663e-05 4.7858e-05 5.8854e-04 2.3396e-07 0.0000e+00
|
||||
2 react 8.0000e-03 -0.9166 -0.0254 -2.9821 -7.8869 1.1000e+00 3.0845e-03 9.2536e-05 3.4177e-04 2.6513e-03 2.9219e-06 0.0000e+00
|
||||
2 react 4.0000e-03 -1.0977 -0.0064 -3.4060 -8.0238 1.1000e+00 6.5544e-04 1.9663e-05 4.7858e-05 5.8854e-04 2.3395e-07 0.0000e+00
|
||||
2 react 8.0000e-03 -0.9166 -0.0254 -2.9821 -7.8869 1.1000e+00 3.0845e-03 9.2536e-05 3.4177e-04 2.6513e-03 2.9218e-06 0.0000e+00
|
||||
2 react 1.6000e-02 -0.7240 -0.0587 -2.5485 -7.7548 1.1000e+00 8.4999e-03 2.5500e-04 1.4676e-03 6.7663e-03 2.1847e-05 0.0000e+00
|
||||
2 react 3.2000e-02 -0.5545 -0.1090 -2.1058 -7.6159 1.1000e+00 2.1159e-02 6.3476e-04 5.3975e-03 1.5002e-02 1.5072e-04 0.0000e+00
|
||||
2 react 6.4000e-02 -0.4375 -0.1661 -1.7634 -7.5100 1.1000e+00 5.0884e-02 1.5265e-03 1.6994e-02 3.1630e-02 7.9728e-04 0.0000e+00
|
||||
@ -13,10 +13,10 @@
|
||||
2 react 2.5000e-01 -0.3434 -0.2366 -1.5108 -7.4454 1.1000e+00 2.4474e-01 7.3422e-03 1.0151e-01 1.2933e-01 6.8599e-03 0.0000e+00
|
||||
2 react 5.0000e-01 -0.3281 -0.2511 -1.4748 -7.4387 1.1000e+00 5.1038e-01 1.5312e-02 2.1930e-01 2.6087e-01 1.5539e-02 0.0000e+00
|
||||
2 react 1.0000e+00 -0.3206 -0.2585 -1.4580 -7.4358 1.1000e+00 1.0428e+00 3.1285e-02 4.5585e-01 5.2398e-01 3.3004e-02 0.0000e+00
|
||||
3 i_gas -99 -1.5001 -19.5887 -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 i_gas -99 -1.5001 -19.5895 -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 -3.2573 -4.4522 -9.6174 6.4110e-02 6.0800e-02 1.8240e-03 3.0424e-02 5.2433e-04 3.3467e-05 0.0000e+00
|
||||
3 react 2.0000e-03 -1.4874 -2.9562 -4.1498 -9.3557 6.5179e-02 6.1814e-02 1.8544e-03 3.0880e-02 1.0488e-03 6.7156e-05 0.0000e+00
|
||||
3 react 3.0000e-03 -1.4811 -2.7801 -3.9729 -9.2036 6.6248e-02 6.2828e-02 1.8848e-03 3.1335e-02 1.5734e-03 1.0090e-04 0.0000e+00
|
||||
3 react 3.0000e-03 -1.4811 -2.7801 -3.9729 -9.2036 6.6249e-02 6.2828e-02 1.8848e-03 3.1335e-02 1.5734e-03 1.0090e-04 0.0000e+00
|
||||
3 react 4.0000e-03 -1.4748 -2.6551 -3.8475 -9.0964 6.7318e-02 6.3842e-02 1.9153e-03 3.1791e-02 2.0979e-03 1.3468e-04 0.0000e+00
|
||||
3 react 8.0000e-03 -1.4506 -2.3541 -3.5456 -8.8416 7.1596e-02 6.7899e-02 2.0370e-03 3.3613e-02 4.1962e-03 2.6990e-04 0.0000e+00
|
||||
3 react 1.6000e-02 -1.4059 -2.0530 -3.2442 -8.5948 8.0151e-02 7.6014e-02 2.2804e-03 3.7258e-02 8.3928e-03 5.4031e-04 0.0000e+00
|
||||
|
||||
52
ex8.sel
52
ex8.sel
@ -1,27 +1,27 @@
|
||||
sim state soln dist_x time step pH pe reaction temp Alk mu mass_H2O charge pct_err m_Zn+2 m_Hfo_wOZn+ m_Hfo_sOZn+
|
||||
5 react 1 -99 0 1 5 15.0946 -99 25.000 -1.21142e-05 0.0999427 0.999998 -0.000112255 -0.0561601 9.9667e-08 1.3174e-11 3.1450e-10
|
||||
6 react 1 -99 0 1 5.25 14.8088 -99 25.000 -6.81076e-06 0.0999508 0.999998 -9.66739e-05 -0.0483609 9.9094e-08 3.6062e-11 8.6083e-10
|
||||
7 react 1 -99 0 1 5.5 14.5231 -99 25.000 -3.82714e-06 0.0999584 0.999998 -8.21358e-05 -0.0410851 9.7570e-08 9.7072e-11 2.3165e-09
|
||||
8 react 1 -99 0 1 5.75 14.2374 -99 25.000 -2.1471e-06 0.0999652 0.999999 -6.88825e-05 -0.0344533 9.3666e-08 2.5380e-10 6.0522e-09
|
||||
9 react 1 -99 0 1 6 13.9517 -99 25.000 -1.19841e-06 0.0999713 0.999999 -5.70006e-05 -0.0285086 8.4496e-08 6.2324e-10 1.4836e-08
|
||||
10 react 1 -99 0 1 6.25 13.666 -99 25.000 -6.57933e-07 0.0999766 0.999999 -4.64735e-05 -0.0232422 6.6729e-08 1.3432e-09 3.1864e-08
|
||||
11 react 1 -99 0 1 6.5 13.3803 -99 25.000 -3.41588e-07 0.0999813 0.999999 -3.7219e-05 -0.018613 4.2359e-08 2.3391e-09 5.5230e-08
|
||||
12 react 1 -99 0 1 6.75 13.0945 -99 25.000 -1.41636e-07 0.0999854 0.999999 -2.91148e-05 -0.0145595 2.1076e-08 3.2169e-09 7.5642e-08
|
||||
13 react 1 -99 0 1 7 12.8088 -99 25.000 1.00416e-08 0.0999891 1 -2.20135e-05 -0.011008 8.7607e-09 3.7285e-09 8.7461e-08
|
||||
14 react 1 -99 0 1 7.25 12.5231 -99 25.000 1.65123e-07 0.0999923 1 -1.57484e-05 -0.0078748 3.3044e-09 3.9562e-09 9.2704e-08
|
||||
15 react 1 -99 0 1 7.5 12.2374 -99 25.000 3.76439e-07 0.0999953 1 -1.01328e-05 -0.00506666 1.1918e-09 4.0447e-09 9.4738e-08
|
||||
16 react 1 -99 0 1 7.75 11.9515 -99 25.000 7.15972e-07 0.0999982 1 -4.96214e-06 -0.00248112 4.2167e-10 4.0771e-09 9.5483e-08
|
||||
17 react 1 -99 0 1 8 11.6654 -99 25.000 1.29938e-06 0.100001 1 -1.7871e-08 -8.9354e-06 1.4817e-10 4.0887e-09 9.5749e-08
|
||||
20 react 2 -99 0 1 5 15.0946 -99 25.000 -1.21096e-05 0.100042 0.999998 -0.000112354 -0.0562096 9.9686e-05 1.3167e-08 2.9577e-07
|
||||
21 react 2 -99 0 1 5.25 14.8088 -99 25.000 -6.80179e-06 0.10005 0.999998 -9.68903e-05 -0.0484692 9.9221e-05 3.6026e-08 7.3398e-07
|
||||
22 react 2 -99 0 1 5.5 14.5231 -99 25.000 -3.81089e-06 0.100056 0.999998 -8.25933e-05 -0.041314 9.8302e-05 9.7147e-08 1.5849e-06
|
||||
23 react 2 -99 0 1 5.75 14.2374 -99 25.000 -2.11827e-06 0.100062 0.999999 -6.96993e-05 -0.034862 9.6949e-05 2.5852e-07 2.7639e-06
|
||||
24 react 2 -99 0 1 6 13.9517 -99 25.000 -1.14742e-06 0.100066 0.999999 -5.82072e-05 -0.0291122 9.5439e-05 6.8198e-07 3.8284e-06
|
||||
25 react 2 -99 0 1 6.25 13.666 -99 25.000 -5.67683e-07 0.100069 0.999999 -4.8109e-05 -0.0240603 9.3655e-05 1.7788e-06 4.4775e-06
|
||||
26 react 2 -99 0 1 6.5 13.3802 -99 25.000 -1.82634e-07 0.100071 1 -3.95664e-05 -0.0197871 9.0590e-05 4.4736e-06 4.7812e-06
|
||||
27 react 2 -99 0 1 6.75 13.0945 -99 25.000 1.33107e-07 0.100068 1 -3.28749e-05 -0.0164401 8.4578e-05 1.0254e-05 4.9050e-06
|
||||
28 react 2 -99 0 1 7 12.8088 -99 25.000 4.71048e-07 0.10006 1 -2.81879e-05 -0.0140959 7.4599e-05 2.0021e-05 4.9534e-06
|
||||
29 react 2 -99 0 1 7.25 12.5231 -99 25.000 9.23055e-07 0.100049 1 -2.51184e-05 -0.0125608 6.1808e-05 3.2551e-05 4.9732e-06
|
||||
30 react 2 -99 0 1 7.5 12.2373 -99 25.000 1.62696e-06 0.100037 1 -2.28778e-05 -0.0114402 4.8410e-05 4.5580e-05 4.9823e-06
|
||||
31 react 2 -99 0 1 7.75 11.9514 -99 25.000 2.82433e-06 0.100026 1 -2.08025e-05 -0.0104023 3.5937e-05 5.7490e-05 4.9870e-06
|
||||
32 react 2 -99 0 1 8 11.666 -99 25.000 4.93506e-06 0.100017 1 -1.85413e-05 -0.00927139 2.5143e-05 6.7388e-05 4.9897e-06
|
||||
5 react 1 -99 0 1 5 15.0946 -99 25.000 -1.21142e-05 0.0999427 0.999998 -0.000112255 -0.0561601 9.9646e-08 1.4021e-11 3.3472e-10
|
||||
6 react 1 -99 0 1 5.25 14.8088 -99 25.000 -6.81076e-06 0.0999508 0.999998 -9.6674e-05 -0.0483609 9.9036e-08 3.8367e-11 9.1585e-10
|
||||
7 react 1 -99 0 1 5.5 14.5231 -99 25.000 -3.82714e-06 0.0999584 0.999998 -8.21358e-05 -0.0410851 9.7418e-08 1.0318e-10 2.4621e-09
|
||||
8 react 1 -99 0 1 5.75 14.2374 -99 25.000 -2.1471e-06 0.0999652 0.999999 -6.88826e-05 -0.0344534 9.3285e-08 2.6909e-10 6.4162e-09
|
||||
9 react 1 -99 0 1 6 13.9517 -99 25.000 -1.19841e-06 0.0999713 0.999999 -5.70009e-05 -0.0285087 8.3661e-08 6.5692e-10 1.5635e-08
|
||||
10 react 1 -99 0 1 6.25 13.666 -99 25.000 -6.5793e-07 0.0999766 0.999999 -4.64738e-05 -0.0232424 6.5332e-08 1.3999e-09 3.3202e-08
|
||||
11 react 1 -99 0 1 6.5 13.3803 -99 25.000 -3.41586e-07 0.0999813 0.999999 -3.72194e-05 -0.0186132 4.0846e-08 2.4012e-09 5.6678e-08
|
||||
12 react 1 -99 0 1 6.75 13.0946 -99 25.000 -1.41635e-07 0.0999854 0.999999 -2.9115e-05 -0.0145597 2.0058e-08 3.2590e-09 7.6617e-08
|
||||
13 react 1 -99 0 1 7 12.8088 -99 25.000 1.00419e-08 0.0999891 1 -2.20136e-05 -0.011008 8.2741e-09 3.7487e-09 8.7927e-08
|
||||
14 react 1 -99 0 1 7.25 12.5231 -99 25.000 1.65123e-07 0.0999923 1 -1.57484e-05 -0.00787482 3.1104e-09 3.9643e-09 9.2890e-08
|
||||
15 react 1 -99 0 1 7.5 12.2374 -99 25.000 3.76439e-07 0.0999953 1 -1.01328e-05 -0.00506666 1.1204e-09 4.0477e-09 9.4807e-08
|
||||
16 react 1 -99 0 1 7.75 11.9517 -99 25.000 7.15972e-07 0.0999982 1 -4.96215e-06 -0.00248112 3.9620e-10 4.0781e-09 9.5507e-08
|
||||
17 react 1 -99 0 1 8 11.666 -99 25.000 1.29938e-06 0.100001 1 -1.78726e-08 -8.93621e-06 1.3920e-10 4.0890e-09 9.5757e-08
|
||||
20 react 2 -99 0 1 5 15.0946 -99 25.000 -1.21092e-05 0.100042 0.999998 -0.000112359 -0.0562118 9.9667e-05 1.4014e-08 3.1361e-07
|
||||
21 react 2 -99 0 1 5.25 14.8088 -99 25.000 -6.80119e-06 0.10005 0.999998 -9.69008e-05 -0.0484744 9.9178e-05 3.8331e-08 7.7369e-07
|
||||
22 react 2 -99 0 1 5.5 14.5231 -99 25.000 -3.80984e-06 0.100056 0.999998 -8.26124e-05 -0.0413236 9.8227e-05 1.0331e-07 1.6523e-06
|
||||
23 react 2 -99 0 1 5.75 14.2374 -99 25.000 -2.11643e-06 0.100062 0.999999 -6.97238e-05 -0.0348742 9.6855e-05 2.7480e-07 2.8392e-06
|
||||
24 react 2 -99 0 1 6 13.9517 -99 25.000 -1.14418e-06 0.100066 0.999999 -5.82332e-05 -0.0291252 9.5339e-05 7.2467e-07 3.8821e-06
|
||||
25 react 2 -99 0 1 6.25 13.666 -99 25.000 -5.61994e-07 0.100069 0.999999 -4.81457e-05 -0.0240787 9.3513e-05 1.8877e-06 4.5049e-06
|
||||
26 react 2 -99 0 1 6.5 13.3802 -99 25.000 -1.72877e-07 0.10007 1 -3.9638e-05 -0.019823 9.0314e-05 4.7290e-06 4.7928e-06
|
||||
27 react 2 -99 0 1 6.75 13.0945 -99 25.000 1.49067e-07 0.100067 1 -3.30124e-05 -0.0165089 8.4061e-05 1.0752e-05 4.9095e-06
|
||||
28 react 2 -99 0 1 7 12.8088 -99 25.000 4.95814e-07 0.10006 1 -2.84029e-05 -0.0142034 7.3837e-05 2.0758e-05 4.9552e-06
|
||||
29 react 2 -99 0 1 7.25 12.5231 -99 25.000 9.60532e-07 0.100048 1 -2.53852e-05 -0.0126942 6.0929e-05 3.3396e-05 4.9740e-06
|
||||
30 react 2 -99 0 1 7.5 12.2373 -99 25.000 1.68382e-06 0.100036 1 -2.31566e-05 -0.0115796 4.7540e-05 4.6402e-05 4.9827e-06
|
||||
31 react 2 -99 0 1 7.75 11.9517 -99 25.000 2.91138e-06 0.100025 1 -2.10636e-05 -0.0105328 3.5151e-05 5.8210e-05 4.9873e-06
|
||||
32 react 2 -99 0 1 8 11.666 -99 25.000 5.06702e-06 0.100016 1 -1.87667e-05 -0.00938411 2.4475e-05 6.7966e-05 4.9898e-06
|
||||
|
||||
116
ex9.out
116
ex9.out
@ -180,6 +180,7 @@ Initial solution 1.
|
||||
pe = 13.629 Equilibrium with O2(g)
|
||||
Specific Conductance (uS/cm, 25 oC) = 1199
|
||||
Density (g/cm3) = 0.99747
|
||||
Volume (L) = 1.00315
|
||||
Activity of water = 1.000
|
||||
Ionic strength = 1.030e-02
|
||||
Mass of water (kg) = 1.000e+00
|
||||
@ -211,8 +212,7 @@ Fe_di 1.000e-04
|
||||
H(0) 0.000e+00
|
||||
H2 0.000e+00 0.000e+00 -44.410 -44.409 0.001 28.61
|
||||
Na 1.000e-02
|
||||
Na+ 1.000e-02 9.018e-03 -2.000 -2.045 -0.045 -1.14
|
||||
NaOH 9.013e-20 9.035e-20 -19.045 -19.044 0.001 (0)
|
||||
Na+ 1.000e-02 9.018e-03 -2.000 -2.045 -0.045 -1.13
|
||||
O(0) 5.465e-04
|
||||
O2 2.732e-04 2.739e-04 -3.563 -3.562 0.001 30.40
|
||||
|
||||
@ -269,6 +269,7 @@ O2(g) -0.67 -3.56 -2.89 1.000e+01 1.000e+01 -2.646e-07
|
||||
pe = 14.582 Adjusted to redox equilibrium
|
||||
Specific Conductance (uS/cm, 25 oC) = 1199
|
||||
Density (g/cm3) = 0.99747
|
||||
Volume (L) = 1.00315
|
||||
Activity of water = 1.000
|
||||
Ionic strength = 1.030e-02
|
||||
Mass of water (kg) = 1.000e+00
|
||||
@ -276,9 +277,9 @@ O2(g) -0.67 -3.56 -2.89 1.000e+01 1.000e+01 -2.646e-07
|
||||
Total carbon (mol/kg) = 0.000e+00
|
||||
Total CO2 (mol/kg) = 0.000e+00
|
||||
Temperature (deg C) = 25.00
|
||||
Electrical balance (eq) = -8.614e-17
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
|
||||
Iterations = 248
|
||||
Electrical balance (eq) = 8.754e-16
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
|
||||
Iterations = 208
|
||||
Total H = 1.110124e+02
|
||||
Total O = 5.550676e+01
|
||||
|
||||
@ -314,8 +315,7 @@ Fe_tri 1.058e-06
|
||||
H(0) 0.000e+00
|
||||
H2 0.000e+00 0.000e+00 -44.410 -44.409 0.001 28.61
|
||||
Na 1.000e-02
|
||||
Na+ 1.000e-02 9.018e-03 -2.000 -2.045 -0.045 -1.14
|
||||
NaOH 1.005e-20 1.007e-20 -19.998 -19.997 0.001 (0)
|
||||
Na+ 1.000e-02 9.018e-03 -2.000 -2.045 -0.045 -1.13
|
||||
O(0) 5.465e-04
|
||||
O2 2.732e-04 2.739e-04 -3.563 -3.562 0.001 30.40
|
||||
|
||||
@ -367,6 +367,7 @@ O2(g) -0.67 -3.56 -2.89 1.000e+01 1.000e+01 -1.843e-07
|
||||
pe = 14.820 Adjusted to redox equilibrium
|
||||
Specific Conductance (uS/cm, 25 oC) = 1199
|
||||
Density (g/cm3) = 0.99747
|
||||
Volume (L) = 1.00315
|
||||
Activity of water = 1.000
|
||||
Ionic strength = 1.030e-02
|
||||
Mass of water (kg) = 1.000e+00
|
||||
@ -374,9 +375,9 @@ O2(g) -0.67 -3.56 -2.89 1.000e+01 1.000e+01 -1.843e-07
|
||||
Total carbon (mol/kg) = 0.000e+00
|
||||
Total CO2 (mol/kg) = 0.000e+00
|
||||
Temperature (deg C) = 25.00
|
||||
Electrical balance (eq) = -7.589e-17
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
|
||||
Iterations = 40
|
||||
Electrical balance (eq) = 8.813e-16
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
|
||||
Iterations = 27
|
||||
Total H = 1.110124e+02
|
||||
Total O = 5.550676e+01
|
||||
|
||||
@ -412,8 +413,7 @@ Fe_tri 1.795e-06
|
||||
H(0) 0.000e+00
|
||||
H2 0.000e+00 0.000e+00 -44.410 -44.409 0.001 28.61
|
||||
Na 1.000e-02
|
||||
Na+ 1.000e-02 9.018e-03 -2.000 -2.045 -0.045 -1.14
|
||||
NaOH 5.811e-21 5.825e-21 -20.236 -20.235 0.001 (0)
|
||||
Na+ 1.000e-02 9.018e-03 -2.000 -2.045 -0.045 -1.13
|
||||
O(0) 5.465e-04
|
||||
O2 2.732e-04 2.739e-04 -3.563 -3.562 0.001 30.40
|
||||
|
||||
@ -465,6 +465,7 @@ O2(g) -0.67 -3.56 -2.89 1.000e+01 1.000e+01 -4.039e-07
|
||||
pe = 15.105 Adjusted to redox equilibrium
|
||||
Specific Conductance (uS/cm, 25 oC) = 1200
|
||||
Density (g/cm3) = 0.99747
|
||||
Volume (L) = 1.00315
|
||||
Activity of water = 1.000
|
||||
Ionic strength = 1.029e-02
|
||||
Mass of water (kg) = 1.000e+00
|
||||
@ -472,9 +473,9 @@ O2(g) -0.67 -3.56 -2.89 1.000e+01 1.000e+01 -4.039e-07
|
||||
Total carbon (mol/kg) = 0.000e+00
|
||||
Total CO2 (mol/kg) = 0.000e+00
|
||||
Temperature (deg C) = 25.00
|
||||
Electrical balance (eq) = -8.254e-17
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
|
||||
Iterations = 95
|
||||
Electrical balance (eq) = 9.695e-16
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
|
||||
Iterations = 67
|
||||
Total H = 1.110124e+02
|
||||
Total O = 5.550677e+01
|
||||
|
||||
@ -510,8 +511,7 @@ Fe_tri 3.410e-06
|
||||
H(0) 0.000e+00
|
||||
H2 0.000e+00 0.000e+00 -44.410 -44.409 0.001 28.61
|
||||
Na 1.000e-02
|
||||
Na+ 1.000e-02 9.018e-03 -2.000 -2.045 -0.045 -1.14
|
||||
NaOH 3.015e-21 3.022e-21 -20.521 -20.520 0.001 (0)
|
||||
Na+ 1.000e-02 9.018e-03 -2.000 -2.045 -0.045 -1.13
|
||||
O(0) 5.465e-04
|
||||
O2 2.732e-04 2.739e-04 -3.563 -3.562 0.001 30.40
|
||||
|
||||
@ -563,6 +563,7 @@ O2(g) -0.67 -3.56 -2.89 1.000e+01 1.000e+01 -4.887e-07
|
||||
pe = 15.303 Adjusted to redox equilibrium
|
||||
Specific Conductance (uS/cm, 25 oC) = 1200
|
||||
Density (g/cm3) = 0.99747
|
||||
Volume (L) = 1.00315
|
||||
Activity of water = 1.000
|
||||
Ionic strength = 1.029e-02
|
||||
Mass of water (kg) = 1.000e+00
|
||||
@ -570,9 +571,9 @@ O2(g) -0.67 -3.56 -2.89 1.000e+01 1.000e+01 -4.887e-07
|
||||
Total carbon (mol/kg) = 0.000e+00
|
||||
Total CO2 (mol/kg) = 0.000e+00
|
||||
Temperature (deg C) = 25.00
|
||||
Electrical balance (eq) = -9.450e-17
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
|
||||
Iterations = 40
|
||||
Electrical balance (eq) = 6.913e-15
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
|
||||
Iterations = 26
|
||||
Total H = 1.110124e+02
|
||||
Total O = 5.550677e+01
|
||||
|
||||
@ -608,8 +609,7 @@ Fe_tri 5.364e-06
|
||||
H(0) 0.000e+00
|
||||
H2 0.000e+00 0.000e+00 -44.410 -44.409 0.001 28.61
|
||||
Na 1.000e-02
|
||||
Na+ 1.000e-02 9.018e-03 -2.000 -2.045 -0.045 -1.14
|
||||
NaOH 1.912e-21 1.916e-21 -20.719 -20.718 0.001 (0)
|
||||
Na+ 1.000e-02 9.018e-03 -2.000 -2.045 -0.045 -1.13
|
||||
O(0) 5.465e-04
|
||||
O2 2.732e-04 2.739e-04 -3.563 -3.562 0.001 30.40
|
||||
|
||||
@ -661,6 +661,7 @@ O2(g) -0.67 -3.56 -2.89 1.000e+01 1.000e+01 -4.692e-07
|
||||
pe = 15.432 Adjusted to redox equilibrium
|
||||
Specific Conductance (uS/cm, 25 oC) = 1201
|
||||
Density (g/cm3) = 0.99747
|
||||
Volume (L) = 1.00315
|
||||
Activity of water = 1.000
|
||||
Ionic strength = 1.029e-02
|
||||
Mass of water (kg) = 1.000e+00
|
||||
@ -668,9 +669,9 @@ O2(g) -0.67 -3.56 -2.89 1.000e+01 1.000e+01 -4.692e-07
|
||||
Total carbon (mol/kg) = 0.000e+00
|
||||
Total CO2 (mol/kg) = 0.000e+00
|
||||
Temperature (deg C) = 25.00
|
||||
Electrical balance (eq) = -8.914e-17
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
|
||||
Iterations = 40
|
||||
Electrical balance (eq) = 6.923e-15
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
|
||||
Iterations = 24
|
||||
Total H = 1.110124e+02
|
||||
Total O = 5.550677e+01
|
||||
|
||||
@ -706,8 +707,7 @@ Fe_tri 7.241e-06
|
||||
H(0) 0.000e+00
|
||||
H2 0.000e+00 0.000e+00 -44.410 -44.409 0.001 28.61
|
||||
Na 1.000e-02
|
||||
Na+ 1.000e-02 9.018e-03 -2.000 -2.045 -0.045 -1.14
|
||||
NaOH 1.419e-21 1.423e-21 -20.848 -20.847 0.001 (0)
|
||||
Na+ 1.000e-02 9.018e-03 -2.000 -2.045 -0.045 -1.13
|
||||
O(0) 5.465e-04
|
||||
O2 2.732e-04 2.739e-04 -3.563 -3.562 0.001 30.40
|
||||
|
||||
@ -759,6 +759,7 @@ O2(g) -0.67 -3.56 -2.89 1.000e+01 1.000e+01 -6.021e-07
|
||||
pe = 15.555 Adjusted to redox equilibrium
|
||||
Specific Conductance (uS/cm, 25 oC) = 1202
|
||||
Density (g/cm3) = 0.99747
|
||||
Volume (L) = 1.00315
|
||||
Activity of water = 1.000
|
||||
Ionic strength = 1.029e-02
|
||||
Mass of water (kg) = 1.000e+00
|
||||
@ -766,9 +767,9 @@ O2(g) -0.67 -3.56 -2.89 1.000e+01 1.000e+01 -6.021e-07
|
||||
Total carbon (mol/kg) = 0.000e+00
|
||||
Total CO2 (mol/kg) = 0.000e+00
|
||||
Temperature (deg C) = 25.00
|
||||
Electrical balance (eq) = -7.896e-17
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
|
||||
Iterations = 40
|
||||
Electrical balance (eq) = 6.910e-15
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
|
||||
Iterations = 24
|
||||
Total H = 1.110124e+02
|
||||
Total O = 5.550677e+01
|
||||
|
||||
@ -804,8 +805,7 @@ Fe_tri 9.649e-06
|
||||
H(0) 0.000e+00
|
||||
H2 0.000e+00 0.000e+00 -44.410 -44.409 0.001 28.61
|
||||
Na 1.000e-02
|
||||
Na+ 1.000e-02 9.018e-03 -2.000 -2.045 -0.045 -1.14
|
||||
NaOH 1.071e-21 1.073e-21 -20.970 -20.969 0.001 (0)
|
||||
Na+ 1.000e-02 9.018e-03 -2.000 -2.045 -0.045 -1.13
|
||||
O(0) 5.465e-04
|
||||
O2 2.732e-04 2.739e-04 -3.563 -3.562 0.001 30.40
|
||||
|
||||
@ -857,6 +857,7 @@ O2(g) -0.67 -3.56 -2.89 1.000e+01 1.000e+01 -6.160e-07
|
||||
pe = 15.651 Adjusted to redox equilibrium
|
||||
Specific Conductance (uS/cm, 25 oC) = 1202
|
||||
Density (g/cm3) = 0.99747
|
||||
Volume (L) = 1.00315
|
||||
Activity of water = 1.000
|
||||
Ionic strength = 1.029e-02
|
||||
Mass of water (kg) = 1.000e+00
|
||||
@ -864,9 +865,9 @@ O2(g) -0.67 -3.56 -2.89 1.000e+01 1.000e+01 -6.160e-07
|
||||
Total carbon (mol/kg) = 0.000e+00
|
||||
Total CO2 (mol/kg) = 0.000e+00
|
||||
Temperature (deg C) = 25.00
|
||||
Electrical balance (eq) = -7.749e-17
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
|
||||
Iterations = 40
|
||||
Electrical balance (eq) = 6.899e-15
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
|
||||
Iterations = 23
|
||||
Total H = 1.110124e+02
|
||||
Total O = 5.550677e+01
|
||||
|
||||
@ -902,8 +903,7 @@ Fe_tri 1.211e-05
|
||||
H(0) 0.000e+00
|
||||
H2 0.000e+00 0.000e+00 -44.410 -44.409 0.001 28.61
|
||||
Na 1.000e-02
|
||||
Na+ 1.000e-02 9.018e-03 -2.000 -2.045 -0.045 -1.14
|
||||
NaOH 8.583e-22 8.603e-22 -21.066 -21.065 0.001 (0)
|
||||
Na+ 1.000e-02 9.018e-03 -2.000 -2.045 -0.045 -1.13
|
||||
O(0) 5.465e-04
|
||||
O2 2.732e-04 2.739e-04 -3.563 -3.562 0.001 30.40
|
||||
|
||||
@ -955,6 +955,7 @@ O2(g) -0.67 -3.56 -2.89 1.000e+01 1.000e+01 -7.728e-07
|
||||
pe = 15.746 Adjusted to redox equilibrium
|
||||
Specific Conductance (uS/cm, 25 oC) = 1203
|
||||
Density (g/cm3) = 0.99747
|
||||
Volume (L) = 1.00315
|
||||
Activity of water = 1.000
|
||||
Ionic strength = 1.028e-02
|
||||
Mass of water (kg) = 1.000e+00
|
||||
@ -962,9 +963,9 @@ O2(g) -0.67 -3.56 -2.89 1.000e+01 1.000e+01 -7.728e-07
|
||||
Total carbon (mol/kg) = 0.000e+00
|
||||
Total CO2 (mol/kg) = 0.000e+00
|
||||
Temperature (deg C) = 25.00
|
||||
Electrical balance (eq) = -7.598e-17
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
|
||||
Iterations = 40
|
||||
Electrical balance (eq) = 6.908e-15
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
|
||||
Iterations = 23
|
||||
Total H = 1.110124e+02
|
||||
Total O = 5.550677e+01
|
||||
|
||||
@ -1000,8 +1001,7 @@ Fe_tri 1.520e-05
|
||||
H(0) 0.000e+00
|
||||
H2 0.000e+00 0.000e+00 -44.410 -44.409 0.001 28.61
|
||||
Na 1.000e-02
|
||||
Na+ 1.000e-02 9.018e-03 -2.000 -2.045 -0.045 -1.14
|
||||
NaOH 6.897e-22 6.913e-22 -21.161 -21.160 0.001 (0)
|
||||
Na+ 1.000e-02 9.018e-03 -2.000 -2.045 -0.045 -1.13
|
||||
O(0) 5.465e-04
|
||||
O2 2.732e-04 2.739e-04 -3.563 -3.562 0.001 30.40
|
||||
|
||||
@ -1053,6 +1053,7 @@ O2(g) -0.67 -3.56 -2.89 1.000e+01 1.000e+01 -5.398e-07
|
||||
pe = 15.801 Adjusted to redox equilibrium
|
||||
Specific Conductance (uS/cm, 25 oC) = 1204
|
||||
Density (g/cm3) = 0.99747
|
||||
Volume (L) = 1.00315
|
||||
Activity of water = 1.000
|
||||
Ionic strength = 1.028e-02
|
||||
Mass of water (kg) = 1.000e+00
|
||||
@ -1060,9 +1061,9 @@ O2(g) -0.67 -3.56 -2.89 1.000e+01 1.000e+01 -5.398e-07
|
||||
Total carbon (mol/kg) = 0.000e+00
|
||||
Total CO2 (mol/kg) = 0.000e+00
|
||||
Temperature (deg C) = 25.00
|
||||
Electrical balance (eq) = -6.853e-17
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
|
||||
Iterations = 40
|
||||
Electrical balance (eq) = 5.290e-14
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
|
||||
Iterations = 20
|
||||
Total H = 1.110124e+02
|
||||
Total O = 5.550677e+01
|
||||
|
||||
@ -1098,8 +1099,7 @@ Fe_tri 1.736e-05
|
||||
H(0) 0.000e+00
|
||||
H2 0.000e+00 0.000e+00 -44.410 -44.409 0.001 28.61
|
||||
Na 1.000e-02
|
||||
Na+ 1.000e-02 9.019e-03 -2.000 -2.045 -0.045 -1.14
|
||||
NaOH 6.077e-22 6.091e-22 -21.216 -21.215 0.001 (0)
|
||||
Na+ 1.000e-02 9.019e-03 -2.000 -2.045 -0.045 -1.13
|
||||
O(0) 5.465e-04
|
||||
O2 2.732e-04 2.739e-04 -3.563 -3.562 0.001 30.40
|
||||
|
||||
@ -1151,6 +1151,7 @@ O2(g) -0.67 -3.56 -2.89 1.000e+01 1.000e+01 -4.282e-07
|
||||
pe = 15.839 Adjusted to redox equilibrium
|
||||
Specific Conductance (uS/cm, 25 oC) = 1204
|
||||
Density (g/cm3) = 0.99747
|
||||
Volume (L) = 1.00315
|
||||
Activity of water = 1.000
|
||||
Ionic strength = 1.028e-02
|
||||
Mass of water (kg) = 1.000e+00
|
||||
@ -1158,9 +1159,9 @@ O2(g) -0.67 -3.56 -2.89 1.000e+01 1.000e+01 -4.282e-07
|
||||
Total carbon (mol/kg) = 0.000e+00
|
||||
Total CO2 (mol/kg) = 0.000e+00
|
||||
Temperature (deg C) = 25.00
|
||||
Electrical balance (eq) = -7.942e-17
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
|
||||
Iterations = 40
|
||||
Electrical balance (eq) = 5.601e-14
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
|
||||
Iterations = 20
|
||||
Total H = 1.110124e+02
|
||||
Total O = 5.550677e+01
|
||||
|
||||
@ -1196,8 +1197,7 @@ Fe_tri 1.907e-05
|
||||
H(0) 0.000e+00
|
||||
H2 0.000e+00 0.000e+00 -44.410 -44.409 0.001 28.61
|
||||
Na 1.000e-02
|
||||
Na+ 1.000e-02 9.019e-03 -2.000 -2.045 -0.045 -1.14
|
||||
NaOH 5.559e-22 5.572e-22 -21.255 -21.254 0.001 (0)
|
||||
Na+ 1.000e-02 9.019e-03 -2.000 -2.045 -0.045 -1.13
|
||||
O(0) 5.465e-04
|
||||
O2 2.732e-04 2.739e-04 -3.563 -3.562 0.001 30.40
|
||||
|
||||
@ -1249,6 +1249,7 @@ O2(g) -0.67 -3.56 -2.89 1.000e+01 1.000e+01 -3.606e-07
|
||||
pe = 15.869 Adjusted to redox equilibrium
|
||||
Specific Conductance (uS/cm, 25 oC) = 1205
|
||||
Density (g/cm3) = 0.99747
|
||||
Volume (L) = 1.00315
|
||||
Activity of water = 1.000
|
||||
Ionic strength = 1.028e-02
|
||||
Mass of water (kg) = 1.000e+00
|
||||
@ -1256,9 +1257,9 @@ O2(g) -0.67 -3.56 -2.89 1.000e+01 1.000e+01 -3.606e-07
|
||||
Total carbon (mol/kg) = 0.000e+00
|
||||
Total CO2 (mol/kg) = 0.000e+00
|
||||
Temperature (deg C) = 25.00
|
||||
Electrical balance (eq) = -7.771e-17
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
|
||||
Iterations = 40
|
||||
Electrical balance (eq) = 5.644e-14
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
|
||||
Iterations = 20
|
||||
Total H = 1.110124e+02
|
||||
Total O = 5.550677e+01
|
||||
|
||||
@ -1294,8 +1295,7 @@ Fe_tri 2.052e-05
|
||||
H(0) 0.000e+00
|
||||
H2 0.000e+00 0.000e+00 -44.410 -44.409 0.001 28.61
|
||||
Na 1.000e-02
|
||||
Na+ 1.000e-02 9.019e-03 -2.000 -2.045 -0.045 -1.14
|
||||
NaOH 5.190e-22 5.202e-22 -21.285 -21.284 0.001 (0)
|
||||
Na+ 1.000e-02 9.019e-03 -2.000 -2.045 -0.045 -1.13
|
||||
O(0) 5.465e-04
|
||||
O2 2.732e-04 2.739e-04 -3.563 -3.562 0.001 30.40
|
||||
|
||||
@ -1319,6 +1319,6 @@ Reading input data for simulation 3.
|
||||
------------------------------------
|
||||
|
||||
------------------------------
|
||||
End of Run after 0.06 Seconds.
|
||||
End of Run after 0.07 Seconds.
|
||||
------------------------------
|
||||
|
||||
|
||||
6
radial
6
radial
@ -226,12 +226,12 @@ USER_GRAPH 5 Example 21
|
||||
30 IF (cell_no = 4) THEN xval = xval + 0.5 * 1.8000e-03
|
||||
40 IF (cell_no > 4 AND cell_no < 5) THEN xval = xval + 1.8000e-03
|
||||
50 GOTO 200
|
||||
60 IF (cell_no = 5) THEN xval = xval + 0.5 * 1.8000e-03 + 0.5 * 1.7109e-03
|
||||
60 IF (cell_no = 5) THEN xval = xval + 0.5 * 1.8000e-03 + 0.5 * 1.7109e-03
|
||||
70 IF (cell_no > 5 AND cell_no < 16) THEN xval = xval + 1.7109e-03 ELSE GOTO 90
|
||||
80 GOTO 200
|
||||
90 IF (cell_no = 16) THEN xval = xval + 0.5 * 1.7109e-03 + 0.5 * 1.6000e-03
|
||||
90 IF (cell_no = 16) THEN xval = xval + 0.5 * 1.7109e-03 + 0.5 * 1.6000e-03
|
||||
100 IF (cell_no > 16 AND cell_no <= 16) THEN xval = xval + 1.6000e-03
|
||||
110 IF (cell_no = 17) THEN xval = xval + 0.5 * 1.6000e-03
|
||||
110 IF (cell_no = 17) THEN xval = xval + 0.5 * 1.6000e-03
|
||||
200 y1 = TOT("Hto")
|
||||
210 plot_xy xval * 1e3, y1, color = Blue, symbol = Plus
|
||||
220 IF cell_no = 3 THEN put(y1, 15)
|
||||
|
||||
Loading…
x
Reference in New Issue
Block a user