From 9a9455a93acceb4639b555565c2d02ec0bfe81f8 Mon Sep 17 00:00:00 2001 From: Harry Moffat Date: Tue, 5 Aug 2014 22:07:04 +0000 Subject: [PATCH] Changed the blessed file. The report function has changed the number of significant figures reported. --- .../VCSnonideal/NaCl_equil/good_out.txt | 86 ++++++++++--------- 1 file changed, 44 insertions(+), 42 deletions(-) diff --git a/test_problems/VCSnonideal/NaCl_equil/good_out.txt b/test_problems/VCSnonideal/NaCl_equil/good_out.txt index 3beec2d53..fe4cfd45e 100644 --- a/test_problems/VCSnonideal/NaCl_equil/good_out.txt +++ b/test_problems/VCSnonideal/NaCl_equil/good_out.txt @@ -115,12 +115,12 @@ Chemical Potentials: (J/kmol) Na+ -2.57752e+08 -2.57752e+08 OH- -2.26784e+08 -2.26784e+08 O2 air -6.1165e+07 -6.1165e+07 - H2 -3.89624e+07 -3.89624e+07 - CO2 -4.57249e+08 -4.57249e+08 + H2 -3.89623e+07 -3.89623e+07 + CO2 -4.57248e+08 -4.57248e+08 H2O -2.98124e+08 -2.98124e+08 NaCl -2.49904e+08 -2.49904e+08 - N2 -5.71282e+07 -5.71282e+07 - OH -2.26793e+08 -2.26793e+08 + N2 -5.71281e+07 -5.71281e+07 + OH -2.26792e+08 -2.26792e+08 NaCl(S) NaCl(S) -4.3262e+08 -4.3262e+08 ================================================================================ @@ -162,13 +162,13 @@ VCS CALCULATION METHOD O H C N Na Cl cn_N Fe E Si Ca PhaseID NaCl(S) 0 0 0 0 1 1 0 0 0 0 0 2 -4.32620E+08 5.00000E+00 Mol_Num - N2 0 0 0 2 0 0 0 0 0 0 0 1 -5.71282E+07 4.00000E+00 Mol_Num + N2 0 0 0 2 0 0 0 0 0 0 0 1 -5.71281E+07 4.00000E+00 Mol_Num H2O(L) 1 2 0 0 0 0 0 0 -0 0 0 0 -3.06686E+08 2.00000E+00 Mol_Num H+ 0 1 0 0 0 0 1 0 -1 0 0 0 0.00000E+00 0.00000E+00 Mol_Num Na+ 0 0 0 0 1 0 1 0 -1 0 0 0 -2.57752E+08 0.00000E+00 Mol_Num - OH 1 1 0 0 0 0 0 0 0 0 0 1 -2.26793E+08 0.00000E+00 Mol_Num - CO2 2 0 1 0 0 0 0 0 0 0 0 1 -4.57249E+08 0.00000E+00 Mol_Num - H2 0 2 0 0 0 0 0 0 0 0 0 1 -3.89624E+07 0.00000E+00 Mol_Num + OH 1 1 0 0 0 0 0 0 0 0 0 1 -2.26792E+08 0.00000E+00 Mol_Num + CO2 2 0 1 0 0 0 0 0 0 0 0 1 -4.57248E+08 0.00000E+00 Mol_Num + H2 0 2 0 0 0 0 0 0 0 0 0 1 -3.89623E+07 0.00000E+00 Mol_Num H2O 1 2 0 0 0 0 0 0 0 0 0 1 -2.98124E+08 0.00000E+00 Mol_Num NaCl 0 0 0 0 1 1 0 0 0 0 0 1 -2.49904E+08 0.00000E+00 Mol_Num Cl- 0 0 0 0 0 1 -1 0 1 0 0 0 -1.83974E+08 0.00000E+00 Mol_Num @@ -195,15 +195,15 @@ VCS CALCULATION METHOD N2 4.0000000E+00 9.7628453E-01 -2.3069E+01 0 H2O(L) 1.9028340E+00 8.1756460E-01 -1.2400E+02 0 Na+ 2.1230388E-01 9.1217698E-02 -1.0214E+02 0 - OH- 1.8416159E-09 7.9126188E-10 -1.0883E+02 0 + OH- 1.8416159E-09 7.9126189E-10 -1.0883E+02 0 OH 3.7470071E-07 9.1453628E-08 -1.0769E+02 0 CO2 0.0000000E+00 0.0000000E+00 -5.0822E+02 0 Cl- 2.1230388E-01 9.1217698E-02 -7.2378E+01 KMolNum H2O 9.7165652E-02 2.3715331E-02 -1.2400E+02 KMolNum H2 1.8735036E-07 4.5726814E-08 -3.2618E+01 KMolNum - H+ 1.8416159E-09 7.9126188E-10 -1.5174E+01 KMolNum + H+ 1.8416159E-09 7.9126189E-10 -1.5174E+01 KMolNum NaCl 3.9992758E-32 9.7610778E-33 -1.7452E+02 KMolNum - O2 8.9458131E-69 2.1834147E-69 -1.8277E+02 KMolNum + O2 8.9458127E-69 2.1834146E-69 -1.8277E+02 KMolNum -------------------------------------------------------------------------------- @@ -228,9 +228,9 @@ VCS CALCULATION METHOD | Element | O H C N Na Cl cn_NaCl_el Fe E Si Ca | | PhaseName |KMolTarget | 2 4 0 8 5 5 0 0 0 0 0 | Gibbs Total | ------------------------------------------------------------------------------------------------------------------------------------------------------------------------ - 0 NaCl_electro | 2.327e+00 | 1.9 3.81 0 0 0.212 0.212 0 0 0 0 0 | -2.73008478338E+02 | - 1 air | 4.097e+00 | 0.0972 0.194 0 8 4e-32 4e-32 0 0 0 0 0 | -1.04325817404E+02 | - 2 NaCl(S) | 4.788e+00 | 0 0 0 0 4.79 4.79 0 0 0 0 0 | -8.35534332084E+02 | + 0 NaCl_electro | 2.327e+00 | 1.9 3.81 0 0 0.212 0.212 0 0 0 0 0 | -2.73008478317E+02 | + 1 air | 4.097e+00 | 0.0972 0.194 0 8 4e-32 4e-32 0 0 0 0 0 | -1.04325817410E+02 | + 2 NaCl(S) | 4.788e+00 | 0 0 0 0 4.79 4.79 0 0 0 0 0 | -8.35534332099E+02 | ------------------------------------------------------------------------------------------------------------------------------------------------------------------------ TOTAL | 1.121e+01 | 2 4 0 8 5 5 0 0 0 0 0 | -1.21286862783E+03 | ------------------------------------------------------------------------------------------------------------------------------------------------------------------------ @@ -260,29 +260,29 @@ Chemical Potentials of the Species: (dimensionless) NaCl(S) 4.7876961E+00 -1.7451699E+02 0.0000000E+00 0.0000000E+00 | 0.0000000E+00 | -1.7452E+02 | | -8.355343321E+02 | N2 4.0000000E+00 -2.3045224E+01 0.0000000E+00 -2.4001206E-02 | 0.0000000E+00 | -2.3069E+01 | | -9.227690170E+01 | H2O(L) 1.9028340E+00 -1.2371564E+02 -8.6317845E-02 -2.0142535E-01 | 0.0000000E+00 | -1.2400E+02 | | -2.359578440E+02 | - Na+ 2.1230388E-01 -1.0397603E+02 2.1455995E-01 -2.3945063E+00 | 0.0000000E+00 | -1.0214E+02 |(4.01653E+00)| -2.168459952E+01 | - OH- 1.8416159E-09 -9.1483592E+01 -4.0506503E-01 -2.0957392E+01 |-0.0000000E+00 | -1.0883E+02 |(4.01653E+00)| -2.004221673E-07 | - OH 3.7470071E-07 -9.1487044E+01 0.0000000E+00 -1.6207434E+01 | 0.0000000E+00 | -1.0769E+02 | | -4.035319768E-05 | + Na+ 2.1230388E-01 -1.0397603E+02 2.1455995E-01 -2.3945063E+00 | 0.0000000E+00 | -1.0214E+02 |(4.01653E+00)| -2.168459951E+01 | + OH- 1.8416159E-09 -9.1483592E+01 -4.0506503E-01 -2.0957392E+01 |-0.0000000E+00 | -1.0883E+02 |(4.01653E+00)| -2.004221674E-07 | + OH 3.7470071E-07 -9.1487044E+01 0.0000000E+00 -1.6207434E+01 | 0.0000000E+00 | -1.0769E+02 | | -4.035319769E-05 | CO2 0.0000000E+00 -1.8445182E+02 0.0000000E+00 -3.2377221E+02 | 0.0000000E+00 | -5.0822E+02 | | -0.000000000E+00 | Cl- 2.1230388E-01 -7.4214139E+01 2.1455995E-01 -2.3945063E+00 |-0.0000000E+00 | -7.2378E+01 |(4.01653E+00)| -1.536603459E+01 | H2O 9.7165652E-02 -1.2026175E+02 0.0000000E+00 -3.7416336E+00 | 0.0000000E+00 | -1.2400E+02 | | -1.204886924E+01 | - H2 1.8735036E-07 -1.5717224E+01 0.0000000E+00 -1.6900581E+01 | 0.0000000E+00 | -3.2618E+01 | | -6.110957374E-06 | - H+ 1.8416159E-09 0.0000000E+00 1.7669917E+00 -2.0957392E+01 | 0.0000000E+00 | -1.5174E+01 |(4.01653E+00)| -2.794443227E-08 | - NaCl 3.9992758E-32 -1.0081009E+02 0.0000000E+00 -7.3706905E+01 | 0.0000000E+00 | -1.7452E+02 | | -6.979415887E-30 | - O2 8.9458131E-69 -2.4673669E+01 0.0000000E+00 -1.5809748E+02 | 0.0000000E+00 | -1.8277E+02 | | -1.635036559E-66 | + H2 1.8735036E-07 -1.5717224E+01 0.0000000E+00 -1.6900581E+01 | 0.0000000E+00 | -3.2618E+01 | | -6.110957376E-06 | + H+ 1.8416159E-09 0.0000000E+00 1.7669917E+00 -2.0957392E+01 | 0.0000000E+00 | -1.5174E+01 |(4.01653E+00)| -2.794443228E-08 | + NaCl 3.9992758E-32 -1.0081009E+02 0.0000000E+00 -7.3706905E+01 | 0.0000000E+00 | -1.7452E+02 | | -6.979415884E-30 | + O2 8.9458127E-69 -2.4673669E+01 0.0000000E+00 -1.5809748E+02 | 0.0000000E+00 | -1.8277E+02 | | -1.635036478E-66 | -1.212868628E+03 --------------------------------------------------------------------------------------------------------------------------------------------------- Counters: Iterations Time (seconds) vcs_basopt: 3 NA - vcs_TP: 31 NA + vcs_TP: 30 NA -------------------------------------------------------------------------------- -------------------------------------------------------------------------------- TCounters: Num_Calls Total_Its Total_Time (seconds) vcs_basopt: 3 3 NA - vcs_TP: 1 31 NA + vcs_TP: 1 30 NA vcs_inest: 0 NA vcs_TotalTime: NA @@ -299,13 +299,13 @@ Cl- 2.123e-01 9.122e-02 -1.794e+08 H+ 1.842e-09 7.913e-10 -3.762e+07 Na+ 2.123e-01 9.122e-02 -2.532e+08 OH- 1.842e-09 7.913e-10 -2.698e+08 -O2 8.947e-69 2.184e-69 -4.531e+08 +O2 8.946e-69 2.183e-69 -4.531e+08 H2 1.874e-07 4.573e-08 -8.086e+07 CO2 0.000e+00 0.000e+00 -1.000e+300 -H2O 9.718e-02 2.372e-02 -3.074e+08 -NaCl 4.000e-32 9.762e-33 -4.326e+08 +H2O 9.717e-02 2.372e-02 -3.074e+08 +NaCl 3.999e-32 9.761e-33 -4.326e+08 N2 4.000e+00 9.763e-01 -5.719e+07 -OH 3.747e-07 9.146e-08 -2.670e+08 +OH 3.747e-07 9.145e-08 -2.670e+08 NaCl(S) 4.788e+00 1.000e+00 -4.326e+08 ------------------------------------------------------------- *************** NaCl_electrolyte ***************** @@ -323,7 +323,7 @@ Moles: 2.32744 1 kg 1 kmol ----------- ------------ enthalpy -1.35106e+07 -2.71e+08 J - internal energy -1.35107e+07 -2.71e+08 J + internal energy -1.35106e+07 -2.71e+08 J entropy 3304.6 6.629e+04 J/K Gibbs function -1.44958e+07 -2.908e+08 J heat capacity c_p 3053.16 6.125e+04 J/K @@ -339,31 +339,33 @@ Moles: 2.32744 OH- 7.91262e-10 5.37226e-08 -2.69784e+08 -2.26784e+08 0.545261 *************** air ***************** -Moles: 4.09718 +Moles: 4.09717 air: temperature 298.15 K pressure 101325 Pa density 1.13533 kg/m^3 - mean mol. weight 27.7763 amu + mean mol. weight 27.7764 amu 1 kg 1 kmol ----------- ------------ - enthalpy -206469 -5.735e+06 J - internal energy -295716 -8.214e+06 J - entropy 6929.46 1.925e+05 J/K - Gibbs function -2.27249e+06 -6.312e+07 J - heat capacity c_p 1052.33 2.923e+04 J/K - heat capacity c_v 752.998 2.092e+04 J/K + enthalpy -2.0647e+05 -5.735e+06 J + internal energy -2.9572e+05 -8.214e+06 J + entropy 6929.5 1.925e+05 J/K + Gibbs function -2.2725e+06 -6.312e+07 J + heat capacity c_p 1052.3 2.923e+04 J/K + heat capacity c_v 753 2.092e+04 J/K X Y Chem. Pot. / RT ------------- ------------ ------------ + O2 2.18341e-69 2.51533e-69 -182.771 H2 4.57268e-08 3.31864e-09 -32.6178 + CO2 0 0 H2O 0.0237153 0.0153814 -124.003 + NaCl 9.76108e-33 2.05377e-32 -174.517 N2 0.976285 0.984619 -23.0692 OH 9.14536e-08 5.59966e-08 -107.694 - [ +3 minor] 9.76108e-33 2.05377e-32 *************** NaCl(S) ***************** Moles: 4.7877 @@ -377,12 +379,12 @@ Moles: 4.7877 1 kg 1 kmol ----------- ------------ - enthalpy -7.03462e+06 -4.111e+08 J - internal energy -7.03467e+06 -4.111e+08 J - entropy 1233.85 7.211e+04 J/K + enthalpy -7.0346e+06 -4.111e+08 J + internal energy -7.0347e+06 -4.111e+08 J + entropy 1233.9 7.211e+04 J/K Gibbs function -7.4025e+06 -4.326e+08 J - heat capacity c_p 864.119 5.05e+04 J/K - heat capacity c_v 864.119 5.05e+04 J/K + heat capacity c_p 864.12 5.05e+04 J/K + heat capacity c_v 864.12 5.05e+04 J/K X Y Chem. Pot. / RT ------------- ------------ ------------