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cantera/test_problems/VCSnonideal/NaCl_equil/vcs_equilibrate_blessed.csv
Harry Moffat a5103167dd Algorithm improvements in the equilibrium solver.
2009-04-18 00:42:47 +00:00

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1--------------------- VCS_MULTIPHASE_EQUIL FINAL REPORT -----------------------------
2Temperature = 298.15 kelvin
3Pressure = 1.0132e+05 Pascal
4Total Volume = 100.41 m**3
5Number Basis optimizations = 3
6Number VCS iterations = 31
7 Name, Phase, PhaseMoles, Mole_Fract, Molalities, ActCoeff, Activity,ChemPot_SS0, ChemPot, mole_num, PMVol, Phase_Volume
8 , , (kmol), , , , , (J/kmol), (J/kmol), (kmol), (m**3/kmol), (m**3)
9 H2O(L), NaCl_electrolyte, 2.327e+00, 8.176e-01, 5.551e+01, 9.173e-01, 7.500e-01, -3.067e+02, -3.074e+02, 1.903e+00, 1.800e-02, 3.838e-02
10 Cl-, NaCl_electrolyte, 2.327e+00, 9.122e-02, 6.193e+00, 1.239e+00, 6.275e+00, -1.840e+02, -1.794e+02, 2.123e-01, 9.712e-03, 3.838e-02
11 H+, NaCl_electrolyte, 2.327e+00, 7.913e-10, 5.372e-08, 5.853e+00, 2.571e-07, 0.000e+00, -3.762e+01, 1.842e-09, 1.372e-03, 3.838e-02
12 Na+, NaCl_electrolyte, 2.327e+00, 9.122e-02, 6.193e+00, 1.239e+00, 6.275e+00, -2.578e+02, -2.532e+02, 2.123e-01, 9.712e-03, 3.838e-02
13 OH-, NaCl_electrolyte, 2.327e+00, 7.913e-10, 5.372e-08, 6.669e-01, 2.929e-08, -2.268e+02, -2.698e+02, 1.842e-09, 9.712e-03, 3.838e-02
14 O2, air, 4.097e+00, 2.184e-69, 0.000e+00, 1.000e+00, 2.184e-69, -6.117e+01, -4.531e+02, 8.947e-69, 2.447e+01, 1.002e+02
15 H2, air, 4.097e+00, 4.573e-08, 0.000e+00, 1.000e+00, 4.573e-08, -3.896e+01, -8.086e+01, 1.874e-07, 2.447e+01, 1.002e+02
16 CO2, air, 4.097e+00, 0.000e+00, 0.000e+00, 1.000e+00, 0.000e+00, -4.572e+02, -2.170e+03, 0.000e+00, 2.447e+01, 1.002e+02
17 H2O, air, 4.097e+00, 2.372e-02, 0.000e+00, 1.000e+00, 2.372e-02, -2.981e+02, -3.074e+02, 9.718e-02, 2.447e+01, 1.002e+02
18 NaCl, air, 4.097e+00, 9.762e-33, 0.000e+00, 1.000e+00, 9.762e-33, -2.499e+02, -4.326e+02, 4.000e-32, 2.447e+01, 1.002e+02
19 N2, air, 4.097e+00, 9.763e-01, 0.000e+00, 1.000e+00, 9.763e-01, -5.713e+01, -5.719e+01, 4.000e+00, 2.447e+01, 1.002e+02
20 OH, air, 4.097e+00, 9.146e-08, 0.000e+00, 1.000e+00, 9.146e-08, -2.268e+02, -2.670e+02, 3.747e-07, 2.447e+01, 1.002e+02
21 NaCl(S), NaCl(S), 4.788e+00, 1.000e+00, 0.000e+00, 1.000e+00, 1.000e+00, -4.326e+02, -4.326e+02, 4.788e+00, 2.699e-02, 1.292e-01