diff --git a/test_problems/VCSnonideal/NaCl_equil/good_dout.txt b/test_problems/VCSnonideal/NaCl_equil/good_dout.txt index 4dddfbbfb..46fdf6ebc 100644 --- a/test_problems/VCSnonideal/NaCl_equil/good_dout.txt +++ b/test_problems/VCSnonideal/NaCl_equil/good_dout.txt @@ -485,9 +485,10 @@ VCS CALCULATION METHOD MultiPhase Object - 13 SPECIES 11 ELEMENTS 7 COMPONENTS - 5 PHASE1 SPECIES 7 PHASE2 SPECIES 1 SINGLE SPECIES PHASES - + 13 SPECIES + 11 ELEMENTS + 7 COMPONENTS + 3 PHASES PRESSURE 101325 Pa TEMPERATURE 298.150 K PHASE1 INERTS 0.000 @@ -513,19 +514,19 @@ VCS CALCULATION METHOD SPECIES FORMULA VECTOR STAN_CHEM_POT EQUILIBRIUM_EST. Species_Type O H C N Na Cl cn Fe E Si Ca SI(I) - Na+ 0 0 0 0 1 0 1 0 -1 0 0 1 -2.57752E+08 5.00000E+00 Mol_Num - Cl- 0 0 0 0 0 1 -1 0 1 0 0 1 -1.83974E+08 5.00000E+00 Mol_Num - N2 0 0 0 2 0 0 0 0 0 0 0 2 -5.71282E+07 4.00000E+00 Mol_Num - H2O(L) 1 2 0 0 0 0 0 0 -0 0 0 1 -3.06686E+08 1.87965E+00 Mol_Num - OH- 1 1 0 0 0 0 -1 0 1 0 0 1 -2.26784E+08 1.20348E-01 Mol_Num - CO2 2 0 1 0 0 0 0 0 0 0 0 2 -4.57249E+08 0.00000E+00 Mol_Num - H2 0 2 0 0 0 0 0 0 0 0 0 2 -3.89624E+07 1.86050E-14 Mol_Num - H+ 0 1 0 0 0 0 1 0 -1 0 0 1 0.00000E+00 1.20348E-01 Mol_Num - H2O 1 2 0 0 0 0 0 0 0 0 0 2 -2.98124E+08 2.25617E-20 Mol_Num - NaCl 0 0 0 0 1 1 0 0 0 0 0 2 -2.49904E+08 3.54670E-44 Mol_Num - O2 2 0 0 0 0 0 0 0 0 0 0 2 -6.11650E+07 1.54458E-41 Mol_Num - NaCl(S) 0 0 0 0 1 1 0 0 0 0 0 0 -4.32620E+08 0.00000E+00 Mol_Num - OH 1 1 0 0 0 0 0 0 0 0 0 2 -2.26793E+08 3.72100E-14 Mol_Num + Na+ 0 0 0 0 1 0 1 0 -1 0 0 0 -2.57752E+08 5.00000E+00 Mol_Num + Cl- 0 0 0 0 0 1 -1 0 1 0 0 0 -1.83974E+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 + H2O(L) 1 2 0 0 0 0 0 0 -0 0 0 0 -3.06686E+08 1.87965E+00 Mol_Num + OH- 1 1 0 0 0 0 -1 0 1 0 0 0 -2.26784E+08 1.20348E-01 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 1.86050E-14 Mol_Num + H+ 0 1 0 0 0 0 1 0 -1 0 0 0 0.00000E+00 1.20348E-01 Mol_Num + H2O 1 2 0 0 0 0 0 0 0 0 0 1 -2.98124E+08 2.25617E-20 Mol_Num + NaCl 0 0 0 0 1 1 0 0 0 0 0 1 -2.49904E+08 3.54670E-44 Mol_Num + O2 2 0 0 0 0 0 0 0 0 0 0 1 -6.11650E+07 1.54458E-41 Mol_Num + NaCl(S) 0 0 0 0 1 1 0 0 0 0 0 2 -4.32620E+08 0.00000E+00 Mol_Num + OH 1 1 0 0 0 0 0 0 0 0 0 1 -2.26793E+08 3.72100E-14 Mol_Num --- Subroutine vcs_dfe called for all species ----------------------------------------------------------------------------- --- Subroutine BASOPT called to reevaluate the components diff --git a/test_problems/VCSnonideal/NaCl_equil/good_out.txt b/test_problems/VCSnonideal/NaCl_equil/good_out.txt index d5f3c15ca..6d50f59c5 100644 --- a/test_problems/VCSnonideal/NaCl_equil/good_out.txt +++ b/test_problems/VCSnonideal/NaCl_equil/good_out.txt @@ -132,9 +132,10 @@ VCS CALCULATION METHOD MultiPhase Object - 13 SPECIES 11 ELEMENTS 7 COMPONENTS - 5 PHASE1 SPECIES 7 PHASE2 SPECIES 1 SINGLE SPECIES PHASES - + 13 SPECIES + 11 ELEMENTS + 7 COMPONENTS + 3 PHASES PRESSURE 101325 Pa TEMPERATURE 298.150 K PHASE1 INERTS 0.000 @@ -160,19 +161,19 @@ VCS CALCULATION METHOD SPECIES FORMULA VECTOR STAN_CHEM_POT EQUILIBRIUM_EST. Species_Type O H C N Na Cl cn Fe E Si Ca SI(I) - Na+ 0 0 0 0 1 0 1 0 -1 0 0 1 -2.57752E+08 5.00000E+00 Mol_Num - Cl- 0 0 0 0 0 1 -1 0 1 0 0 1 -1.83974E+08 5.00000E+00 Mol_Num - N2 0 0 0 2 0 0 0 0 0 0 0 2 -5.71282E+07 4.00000E+00 Mol_Num - H2O(L) 1 2 0 0 0 0 0 0 -0 0 0 1 -3.06686E+08 1.87965E+00 Mol_Num - OH- 1 1 0 0 0 0 -1 0 1 0 0 1 -2.26784E+08 1.20348E-01 Mol_Num - CO2 2 0 1 0 0 0 0 0 0 0 0 2 -4.57249E+08 0.00000E+00 Mol_Num - H2 0 2 0 0 0 0 0 0 0 0 0 2 -3.89624E+07 1.86050E-14 Mol_Num - H+ 0 1 0 0 0 0 1 0 -1 0 0 1 0.00000E+00 1.20348E-01 Mol_Num - H2O 1 2 0 0 0 0 0 0 0 0 0 2 -2.98124E+08 2.25617E-20 Mol_Num - NaCl 0 0 0 0 1 1 0 0 0 0 0 2 -2.49904E+08 3.54670E-44 Mol_Num - O2 2 0 0 0 0 0 0 0 0 0 0 2 -6.11650E+07 1.54458E-41 Mol_Num - NaCl(S) 0 0 0 0 1 1 0 0 0 0 0 0 -4.32620E+08 0.00000E+00 Mol_Num - OH 1 1 0 0 0 0 0 0 0 0 0 2 -2.26793E+08 3.72100E-14 Mol_Num + Na+ 0 0 0 0 1 0 1 0 -1 0 0 0 -2.57752E+08 5.00000E+00 Mol_Num + Cl- 0 0 0 0 0 1 -1 0 1 0 0 0 -1.83974E+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 + H2O(L) 1 2 0 0 0 0 0 0 -0 0 0 0 -3.06686E+08 1.87965E+00 Mol_Num + OH- 1 1 0 0 0 0 -1 0 1 0 0 0 -2.26784E+08 1.20348E-01 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 1.86050E-14 Mol_Num + H+ 0 1 0 0 0 0 1 0 -1 0 0 0 0.00000E+00 1.20348E-01 Mol_Num + H2O 1 2 0 0 0 0 0 0 0 0 0 1 -2.98124E+08 2.25617E-20 Mol_Num + NaCl 0 0 0 0 1 1 0 0 0 0 0 1 -2.49904E+08 3.54670E-44 Mol_Num + O2 2 0 0 0 0 0 0 0 0 0 0 1 -6.11650E+07 1.54458E-41 Mol_Num + NaCl(S) 0 0 0 0 1 1 0 0 0 0 0 2 -4.32620E+08 0.00000E+00 Mol_Num + OH 1 1 0 0 0 0 0 0 0 0 0 1 -2.26793E+08 3.72100E-14 Mol_Num