Slight modification to output files.

This commit is contained in:
Harry Moffat 2009-01-04 06:34:45 +00:00
parent 76ebcf3726
commit 7825ebb1cd
2 changed files with 24 additions and 24 deletions

View file

@ -309,22 +309,22 @@ a2 = 3.04284e-10
Species Standard chemical potentials (kJ/gmol)
------------------------------------------------------------
H2O(L) -306.685777
Cl- -131.064852
H+ 0.0017225
Na+ -311.160543
OH- -226.880122
Cl- -131.066575
H+ 0
Na+ -311.162266
OH- -226.881844
------------------------------------------------------------
Some DeltaSS values: Delta(mu_0)
NaCl(S): Na+ + Cl- -> NaCl(S): 9.594995 kJ/gmol
: 3.870573 (dimensionless)
: 1.680969 (dimensionless/ln10)
NaCl(S): Na+ + Cl- -> NaCl(S): 9.59844 kJ/gmol
: 3.871963 (dimensionless)
: 1.681572 (dimensionless/ln10)
G0(NaCl(S)) = -432.6304 (fixed)
G0(Na+) = -311.1605
G0(Cl-) = -131.0649
OH-: H2O(L) - H+ -> OH-: 79.80738 kJ/gmol
: 32.1939 (dimensionless)
: 13.98163 (dimensionless/ln10)
G0(OH-) = -226.8801
G0(H+) = 0.0017225
G0(Na+) = -311.1623
G0(Cl-) = -131.0666
OH-: H2O(L) - H+ -> OH-: 79.80393 kJ/gmol
: 32.19251 (dimensionless)
: 13.98103 (dimensionless/ln10)
G0(OH-) = -226.8818
G0(H+) = 0
G0(H2O(L)) = -306.6858
------------------------------------------------------------

View file

@ -446,16 +446,16 @@ Index Name MoleF MolalityCropped Charge
Species Standard chemical potentials (kJ/gmol)
------------------------------------------------------------
H2O(L) -317.175857
Cl- -186.014783
H+ 0.0017225
Na+ -441.615962
OH- -322.000801
Cl- -186.016505
H+ 0
Na+ -441.617685
OH- -322.002524
------------------------------------------------------------
Some DeltaSS values: Delta(mu_0)
NaCl(S): Na+ + Cl- -> NaCl(S): 195.0003 kJ/gmol
: 78.66216 (dimensionless)
: 34.16254 (dimensionless/ln10)
OH-: H2O(L) - H+ -> OH-: -4.823222 kJ/gmol
: -1.945664 (dimensionless)
: -0.8449909 (dimensionless/ln10)
NaCl(S): Na+ + Cl- -> NaCl(S): 195.0038 kJ/gmol
: 78.66355 (dimensionless)
: 34.16315 (dimensionless/ln10)
OH-: H2O(L) - H+ -> OH-: -4.826667 kJ/gmol
: -1.947053 (dimensionless)
: -0.8455945 (dimensionless/ln10)
------------------------------------------------------------