Fixed the no debug solution. It was out of sync.
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1f34b14e8d
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1 changed files with 13 additions and 13 deletions
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@ -11,9 +11,9 @@ Index Name MoleF MolalityCropped Charge
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Species Species beta0MX beta1MX beta2MX CphiMX alphaMX thetaij
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Cl- H+ 0.17750 0.29450 0.00000 0.00080 2.00000 0.00000
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Cl- Na+ 0.10037 0.37071 0.00000 -0.00457 2.00000 0.00000
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Cl- OH- 0.00000 0.00000 0.00000 0.00000 0.00000 -0.05000
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H+ Na+ 0.00000 0.00000 0.00000 0.00000 0.00000 0.03600
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H+ OH- 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000
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Cl- OH- 0.00000 0.00000 0.00000 0.00000 2.00000 -0.05000
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H+ Na+ 0.00000 0.00000 0.00000 0.00000 2.00000 0.03600
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H+ OH- 0.00000 0.00000 0.00000 0.00000 2.00000 0.00000
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Na+ OH- 0.08640 0.25300 0.00000 0.00440 2.00000 0.00000
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Species Species Species psi
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@ -38,16 +38,16 @@ Index Name MoleF MolalityCropped Charge
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Species Standard chemical potentials (kJ/gmol)
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------------------------------------------------------------
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H2O(L) -317.175857
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Cl- -186.014783
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H+ 0.0017225
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Na+ -441.615962
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OH- -322.000801
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Cl- -186.016505
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H+ 0
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Na+ -441.617685
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OH- -322.002524
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------------------------------------------------------------
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Some DeltaSS values: Delta(mu_0)
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NaCl(S): Na+ + Cl- -> NaCl(S): 195.0003 kJ/gmol
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: 78.66216 (dimensionless)
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: 34.16254 (dimensionless/ln10)
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OH-: H2O(L) - H+ -> OH-: -4.823222 kJ/gmol
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: -1.945664 (dimensionless)
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: -0.8449909 (dimensionless/ln10)
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NaCl(S): Na+ + Cl- -> NaCl(S): 195.0038 kJ/gmol
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: 78.66355 (dimensionless)
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: 34.16315 (dimensionless/ln10)
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OH-: H2O(L) - H+ -> OH-: -4.826667 kJ/gmol
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: -1.947053 (dimensionless)
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: -0.8455945 (dimensionless/ln10)
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------------------------------------------------------------
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