From 7825ebb1cd5e53815b8b54b0cff7536541814686 Mon Sep 17 00:00:00 2001 From: Harry Moffat Date: Sun, 4 Jan 2009 06:34:45 +0000 Subject: [PATCH] Slight modification to output files. --- .../cathermo/HMW_test_1/output_blessed.txt | 28 +++++++++---------- .../cathermo/HMW_test_3/output_blessed.txt | 20 ++++++------- 2 files changed, 24 insertions(+), 24 deletions(-) diff --git a/test_problems/cathermo/HMW_test_1/output_blessed.txt b/test_problems/cathermo/HMW_test_1/output_blessed.txt index 45981c115..c631fabed 100644 --- a/test_problems/cathermo/HMW_test_1/output_blessed.txt +++ b/test_problems/cathermo/HMW_test_1/output_blessed.txt @@ -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 ------------------------------------------------------------ diff --git a/test_problems/cathermo/HMW_test_3/output_blessed.txt b/test_problems/cathermo/HMW_test_3/output_blessed.txt index e376fda55..1f11ab9f7 100644 --- a/test_problems/cathermo/HMW_test_3/output_blessed.txt +++ b/test_problems/cathermo/HMW_test_3/output_blessed.txt @@ -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) ------------------------------------------------------------