diff --git a/test_problems/SConscript b/test_problems/SConscript
index 21bb79500..d4f926301 100644
--- a/test_problems/SConscript
+++ b/test_problems/SConscript
@@ -278,10 +278,13 @@ CompileAndTest('surfSolver2', 'surfSolverTest', 'surfaceSolver2', None,
comparisons=[('results2_blessed.txt', 'results2.txt')],
artifacts=['results2.txt', 'diamond.xml'],
extensions=['^surfaceSolver2.cpp'])
-CompileAndTest('VCSnonideal', pjoin('VCSnonideal', 'NaCl_equil'),
+CompileAndTest('VCS-NaCl', pjoin('VCSnonideal', 'NaCl_equil'),
'nacl_equil', 'good_out.txt',
options='-d 3',
artifacts=['vcs_equilibrate_res.csv']), # not testing this file because it's not really csv
+CompileAndTest('VCS-LiSi', pjoin('VCSnonideal', 'LatticeSolid_LiSi'),
+ 'latticeSolid_LiSi', 'output_blessed.txt',
+ artifacts=['vcs_equilibrate_res.csv'])
CompileAndTest('VPsilane_test', 'VPsilane_test', 'VPsilane_test', 'output_blessed.txt')
# Python Tests
diff --git a/test_problems/VCSnonideal/LatticeSolid_LiSi/Li7Si3_ls.xml b/test_problems/VCSnonideal/LatticeSolid_LiSi/Li7Si3_ls.xml
new file mode 100644
index 000000000..bfecff5ac
--- /dev/null
+++ b/test_problems/VCSnonideal/LatticeSolid_LiSi/Li7Si3_ls.xml
@@ -0,0 +1,157 @@
+
+
+
+
+
+
+
+
+ Li Si
+
+
+
+
+
+
+
+
+
+ Li Si
+
+ Li7Si3(S)
+
+ 1.39
+
+
+
+
+
+
+
+
+
+ Li Si
+
+ Li(i) V(i)
+
+ 1.046344E-2
+ V(i)
+
+
+
+
+ 725.0
+ 1.0
+ Li(i):0.01 V(i):0.99
+
+
+
+
+
+
+ Li7Si3(S):1.0
+ Li7Si3_Interstitial:1.0
+
+
+
+
+
+
+
+
+
+
+
+
+ Li:7 Si:3
+
+
+
+ 295.73961 ,
+ -6.753295 ,
+ -44.538551 ,
+ 29.738846 ,
+ -1.022387 ,
+ -348.88919 ,
+ 554.35647
+
+
+
+
+ 250.51429 ,
+ 51.125155 ,
+ -28.341244 ,
+ 6.242135 ,
+ 1.346861 ,
+ -328.46578 ,
+ 498.84106
+
+
+
+ 1.39
+
+
+
+
+
+ Li:2.3333333333333 Si:1.0
+
+
+
+ 98.57987 ,
+ -2.2510983 ,
+ -14.846184 ,
+ 9.9129487 ,
+ -0.34079567,
+ -116.2964 ,
+ 184.78549
+
+
+
+
+ 83.504763 ,
+ 17.041718 ,
+ -9.4470813 ,
+ 2.0807117 ,
+ 0.44895367 ,
+ -109.48859 ,
+ 166.28035
+
+
+
+ 1.39
+
+
+
+
+
+ Li:1
+
+
+ 298.14999999999998
+ 0.0E5
+ 20.0
+ 20.0
+
+
+
+
+
+
+
+
+
+ 298.14999999999998
+ 89.8
+ 0.0
+ 0.0
+
+
+
+
+
+
+
+
+
+
diff --git a/test_problems/VCSnonideal/LatticeSolid_LiSi/LiKCl_liquid.xml b/test_problems/VCSnonideal/LatticeSolid_LiSi/LiKCl_liquid.xml
new file mode 100644
index 000000000..03b31188f
--- /dev/null
+++ b/test_problems/VCSnonideal/LatticeSolid_LiSi/LiKCl_liquid.xml
@@ -0,0 +1,135 @@
+
+
+
+
+
+
+
+
+
+ Li K Cl
+
+
+ LiCl(L) KCl(L)
+
+
+
+
+
+
+
+
+
+ -17570., -377
+
+
+ -7.627, 4.958
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+ Li:1
+ 1
+
+
+
+ LiCl(L)
+
+
+
+ 0.0, 0.0, 0.0,
+ 0.0, 0.0, 0.0,
+ 0.0
+
+
+
+ 0.0
+
+
+
+
+
+ K:1
+ 1
+
+
+ KCl(L)
+
+
+ 0.0
+
+
+
+
+
+ Cl-
+ -1
+
+
+ LiCl(L)
+
+
+ 0.0
+
+
+
+
+
+ K:1 Cl:1
+
+
+
+ 73.59698, 0.0, 0.0,
+ 0.0, 0.0, -443.7341,
+ 175.7209
+
+
+
+
+ 37.57
+
+
+
+
+
+ Li:1 Cl:1
+
+
+
+ 73.18025, -9.047232, -0.316390,
+ 0.079587, 0.013594, -417.1314,
+ 157.6711
+
+
+
+
+ 20.304
+
+
+
+
+
+
+
+
+
diff --git a/test_problems/VCSnonideal/LatticeSolid_LiSi/latsol.cpp b/test_problems/VCSnonideal/LatticeSolid_LiSi/latsol.cpp
new file mode 100644
index 000000000..931871cf2
--- /dev/null
+++ b/test_problems/VCSnonideal/LatticeSolid_LiSi/latsol.cpp
@@ -0,0 +1,73 @@
+#include "cantera/thermo.h"
+#include "cantera/thermo/MargulesVPSSTP.h"
+#include "cantera/thermo/FixedChemPotSSTP.h"
+#include "cantera/thermo/LatticeSolidPhase.h"
+#include "cantera/equilibrium.h"
+#include "cantera/thermo.h"
+
+#include
+
+using namespace Cantera;
+
+void testProblem()
+{
+ double T = 273.15 + 352.0;
+ VCSnonideal::vcs_timing_print_lvl = 0;
+
+ // Create the phases
+ std::auto_ptr LiSi_solid(newPhase("Li7Si3_ls.xml",
+ "Li7Si3_and_Interstitials(S)"));
+ FixedChemPotSSTP LiFixed("Li", -2.3E7);
+ MargulesVPSSTP salt(1);
+
+ // set states
+ vector_fp x(salt.nSpecies(), 0);
+ x[0] = 0.7;
+ x[1] = 1.0 - x[0];
+
+ salt.setState_TPX(T, OneAtm, &x[0]);
+ LiSi_solid->setState_TP(T, OneAtm);
+
+ int ee = LiSi_solid->nElements();
+ printf("Number of elements = %d\n", ee);
+
+ LiFixed.setState_TP(T, OneAtm);
+
+ double um;
+ LiFixed.getChemPotentials(&um);
+ printf(" chem pot = %g\n", um);
+
+ double volts = 1.635; // has some Fe in it // test suite
+ double dg_corr = - volts * Faraday;
+ printf("dg_corr = %g\n", dg_corr);
+
+ double um_li_chempot = um + dg_corr;
+ printf("um_li_chempot = %g\n", um_li_chempot);
+ LiFixed.setChemicalPotential(um_li_chempot);
+
+ Cantera::MultiPhase mmm;
+
+ mmm.addPhase(&salt, 10.);
+ mmm.addPhase(LiSi_solid.get(), 1.);
+ mmm.addPhase(&LiFixed, 100.);
+
+ int solver = 2;
+ int printLvl = 10;
+ int estimateEquil = 0;
+
+ vcs_equilibrate(mmm, "TP", estimateEquil, printLvl, solver);
+ std::cout << mmm << std::endl;
+
+ Cantera::appdelete();
+}
+
+int main(int argc, char** argv)
+{
+ try {
+ testProblem();
+ return 0;
+ } catch (CanteraError& err) {
+ std::cout << err.what() << std::endl;
+ return -1;
+ }
+}
diff --git a/test_problems/VCSnonideal/LatticeSolid_LiSi/output_blessed.txt b/test_problems/VCSnonideal/LatticeSolid_LiSi/output_blessed.txt
new file mode 100644
index 000000000..e4a2af2b6
--- /dev/null
+++ b/test_problems/VCSnonideal/LatticeSolid_LiSi/output_blessed.txt
@@ -0,0 +1,384 @@
+Number of elements = 3
+ chem pot = -2.3e+07
+dg_corr = -1.57754e+08
+um_li_chempot = -1.65555e+08
+Unknown Cantera EOS to VCSnonideal: 0
+vcs_Cantera_convert: Species Type 8 not known
+vcs_Cantera_convert: Species Type 8 not known
+Unknown Cantera EOS to VCSnonideal: 20
+vcs_Cantera_convert: Species Type 8 not known
+vcs_Cantera_convert: Species Type 1 not known
+vcs_Cantera_convert: Species Type 1 not known
+Unknown Cantera EOS to VCSnonideal: 70
+
+================================================================================
+================ Cantera_to_vprob: START OF PROBLEM STATEMENT ====================
+================================================================================
+ Phase IDs of species
+ species phaseID phaseName Initial_Estimated_kMols
+ LiCl(L) 0 MoltenSalt_electrolyte 7
+ KCl(L) 0 MoltenSalt_electrolyte 3
+ Li7Si3(S) 1 Li7Si3_and_Interstitials(S) 0.5
+ Li(i) 1 Li7Si3_and_Interstitials(S) 0.005
+ V(i) 1 Li7Si3_and_Interstitials(S) 0.495
+ LiFixed 2 LiFixed 100
+
+--------------------------------------------------------------------------------
+ Information about phases
+ PhaseName PhaseNum SingSpec GasPhase EqnState NumSpec TMolesInert Tmoles(kmol)
+MoltenSalt_electrolyte 0 0 0 UnkType: -1 2 0.000000e+00 1.000000e+01
+Li7Si3_and_Interstitials(S) 1 0 0 UnkType: -1 3 0.000000e+00 1.000000e+00
+ LiFixed 2 1 0 UnkType: -1 1 0.000000e+00 1.000000e+02
+
+================================================================================
+================ Cantera_to_vprob: END OF PROBLEM STATEMENT ====================
+================================================================================
+
+
+================================================================================
+==================== Cantera_to_vprob: START OF PROBLEM STATEMENT ====================
+================================================================================
+
+ Phase IDs of species
+ species phaseID phaseName Initial_Estimated_kMols
+ LiCl(L) 0 MoltenSalt_electrolyte 7
+ KCl(L) 0 MoltenSalt_electrolyte 3
+ Li7Si3(S) 1 Li7Si3_and_Interstitials(S) 0.5
+ Li(i) 1 Li7Si3_and_Interstitials(S) 0.005
+ V(i) 1 Li7Si3_and_Interstitials(S) 0.495
+ LiFixed 2 LiFixed 100
+
+--------------------------------------------------------------------------------
+ Information about phases
+ PhaseName PhaseNum SingSpec GasPhase EqnState NumSpec TMolesInert Tmoles(kmol)
+MoltenSalt_electrolyte 0 0 0 UnkType: -1 2 0.000000e+00 1.000000e+01
+Li7Si3_and_Interstitials(S) 1 0 0 UnkType: -1 3 0.000000e+00 1.000000e+00
+ LiFixed 2 1 0 UnkType: -1 1 0.000000e+00 1.000000e+02
+
+================================================================================
+==================== Cantera_to_vprob: END OF PROBLEM STATEMENT ====================
+================================================================================
+
+
+================================================================================
+==================== VCS_PROB: PROBLEM STATEMENT ===============================
+================================================================================
+
+ Solve a constant T, P problem:
+ T = 625.15 K
+ Pres = 1 atm
+
+ Phase IDs of species
+ species phaseID phaseName Initial_Estimated_Moles Species_Type
+ LiCl(L) 0 MoltenSalt_electrolyte 7 Mol_Num
+ KCl(L) 0 MoltenSalt_electrolyte 3 Mol_Num
+ Li7Si3(S) 1 Li7Si3_and_Interstitials(S) 0.5 Mol_Num
+ Li(i) 1 Li7Si3_and_Interstitials(S) 0.005 Mol_Num
+ V(i) 1 Li7Si3_and_Interstitials(S) 0.495 Mol_Num
+ LiFixed 2 LiFixed 100 Mol_Num
+
+--------------------------------------------------------------------------------
+ Information about phases
+ PhaseName PhaseNum SingSpec GasPhase EqnState NumSpec TMolesInert TKmoles
+MoltenSalt_electrolyte 0 0 0 UnkType: -1 2 0.000000e+00 1.000000e+01
+Li7Si3_and_Interstitials(S) 1 0 0 UnkType: -1 3 0.000000e+00 1.000000e+00
+ LiFixed 2 1 0 UnkType: -1 1 0.000000e+00 1.000000e+02
+
+Elemental Abundances: Target_kmol ElemType ElActive
+ Li 1.105050000000E+02 0 1
+ K 3.000000000000E+00 0 1
+ Cl 1.000000000000E+01 0 1
+ Si 1.500000000000E+00 0 1
+ LC -5.551115123126E-17 3 1
+
+Chemical Potentials: (J/kmol)
+ Species (phase) SS0ChemPot StarChemPot
+ LiCl(L) MoltenSalt_electrolyte -4.46691e+08 -4.46691e+08
+ KCl(L) -4.85963e+08 -4.85963e+08
+ Li7Si3(S) Li7Si3_and_Interstitials(S) -4.2014e+08 -4.2014e+08
+ Li(i) -1.52202e+07 -1.52202e+07
+ V(i) 89800 89800
+ LiFixed LiFixed -1.65555e+08 -1.65555e+08
+
+================================================================================
+==================== VCS_PROB: END OF PROBLEM STATEMENT ========================
+================================================================================
+
+VCS CALCULATION METHOD
+
+ MultiPhase Object
+
+
+ 6 SPECIES
+ 5 ELEMENTS
+ 5 COMPONENTS
+ 3 PHASES
+ PRESSURE 101325 Pa
+ TEMPERATURE 625.150 K
+ PHASE1 INERTS 0.000
+ PHASE2 INERTS 0.000
+
+ ELEMENTAL ABUNDANCES CORRECT FROM ESTIMATE Type
+
+ Li 1.105050000000E+02 1.105050000000E+02 0
+ K 3.000000000000E+00 3.000000000000E+00 0
+ Cl 1.000000000000E+01 1.000000000000E+01 0
+ Si 1.500000000000E+00 1.500000000000E+00 0
+ LC 0.000000000000E+00 -6.071532165919E-17 3
+
+ USER ESTIMATE OF EQUILIBRIUM
+ Stan. Chem. Pot. in J/kmol
+
+ SPECIES FORMULA VECTOR STAN_CHEM_POT EQUILIBRIUM_EST. Species_Type
+
+ Li K Cl Si LC_1 PhaseID
+ LiFixed 1 0 0 0 0 2 -1.65555E+08 1.00000E+02 Mol_Num
+ LiCl(L) 1 0 1 0 0 0 -4.46691E+08 7.00000E+00 Mol_Num
+ KCl(L) 0 1 1 0 0 0 -4.85963E+08 3.00000E+00 Mol_Num
+ Li7Si3(S) 7 0 0 3 -1 1 -4.20140E+08 5.00000E-01 Mol_Num
+ V(i) 0 0 0 0 1 1 8.98000E+04 4.95000E-01 Mol_Num
+ Li(i) 1 0 0 0 1 1 -1.52202E+07 5.00000E-03 Mol_Num
+
+==============================================================================================================
+ Iteration = 0, Iterations since last evaluation of optimal basis = 0 (all species)
+ --- Total Old Dimensionless Gibbs Free Energy = -4.1205648238769E+03
+ --- Total tentative Dimensionless Gibbs Free Energy = -4.1206708518557E+03
+ -------------------------------------------------------------------------------------------------------
+ --- Summary of the Update (all species):
+ --- Species Status Initial_KMoles Final_KMoles Initial_Mu/RT Mu/RT Init_Del_G/RT Delta_G/RT
+ --- LiFixed 1.000000E+02 1.000045E+02 -3.185106E+01 -3.185106E+01
+ --- LiCl(L) 7.000000E+00 7.000000E+00 -8.660120E+01 -8.660120E+01
+ --- KCl(L) 3.000000E+00 3.000000E+00 -9.603612E+01 -9.603612E+01
+ --- Li7Si3(S) 5.000000E-01 5.000000E-01 -8.152370E+01 -8.152370E+01
+ --- V(i) 4.950000E-01 4.995000E-01 -6.859210E-01 -6.768711E-01
+ --- Li(i) 1 5.000000E-03 5.000000E-04 -8.226514E+00 -1.052910E+01 2.431046E+01 2.199883E+01
+ --- Norms of Delta G(): 2.431046E+01 2.199883E+01
+ --- Phase_Name KMoles(after update)
+ --- --------------------------------------------------
+ --- MoltenSalt_electrolyte = 1.0000000E+01
+ --- Li7Si3_and_Interstitials(S) = 1.0000000E+00
+ --- LiFixed = 1.0000450E+02
+ -------------------------------------------------------------------------------------------------------
+ --- Total Old Dimensionless Gibbs Free Energy = -4.1205648238769E+03
+ --- Total New Dimensionless Gibbs Free Energy = -4.1206708518557E+03
+
+==============================================================================================================
+ Iteration = 1, Iterations since last evaluation of optimal basis = 1 (all species)
+ --- Total Old Dimensionless Gibbs Free Energy = -4.1206708518557E+03
+ --- Total tentative Dimensionless Gibbs Free Energy = -4.1206813510191E+03
+ -------------------------------------------------------------------------------------------------------
+ --- Summary of the Update (all species):
+ --- Species Status Initial_KMoles Final_KMoles Initial_Mu/RT Mu/RT Init_Del_G/RT Delta_G/RT
+ --- LiFixed 1.000045E+02 1.000050E+02 -3.185106E+01 -3.185106E+01
+ --- LiCl(L) 7.000000E+00 7.000000E+00 -8.660120E+01 -8.660120E+01
+ --- KCl(L) 3.000000E+00 3.000000E+00 -9.603612E+01 -9.603612E+01
+ --- Li7Si3(S) 5.000000E-01 5.000000E-01 -8.152370E+01 -8.152370E+01
+ --- V(i) 4.995000E-01 5.000000E-01 -6.768711E-01 -6.758706E-01
+ --- Li(i) 0 5.000000E-04 1.396371E-13 -1.052910E+01 -3.252793E+01 2.199883E+01 -1.000361E-03
+ --- Norms of Delta G(): 2.199883E+01 1.000361E-03
+ --- Phase_Name KMoles(after update)
+ --- --------------------------------------------------
+ --- MoltenSalt_electrolyte = 1.0000000E+01
+ --- Li7Si3_and_Interstitials(S) = 1.0000000E+00
+ --- LiFixed = 1.0000500E+02
+ -------------------------------------------------------------------------------------------------------
+ --- Total Old Dimensionless Gibbs Free Energy = -4.1206708518557E+03
+ --- Total New Dimensionless Gibbs Free Energy = -4.1206813510191E+03
+
+==============================================================================================================
+ Iteration = 2, Iterations since last evaluation of optimal basis = 2 (all species)
+ --- Total Old Dimensionless Gibbs Free Energy = -4.1206813510191E+03
+ --- Total tentative Dimensionless Gibbs Free Energy = -4.1206813510191E+03
+ -------------------------------------------------------------------------------------------------------
+ --- Summary of the Update (all species):
+ --- Species Status Initial_KMoles Final_KMoles Initial_Mu/RT Mu/RT Init_Del_G/RT Delta_G/RT
+ --- LiFixed 1.000050E+02 1.000050E+02 -3.185106E+01 -3.185106E+01
+ --- LiCl(L) 7.000000E+00 7.000000E+00 -8.660120E+01 -8.660120E+01
+ --- KCl(L) 3.000000E+00 3.000000E+00 -9.603612E+01 -9.603612E+01
+ --- Li7Si3(S) 5.000000E-01 5.000000E-01 -8.152370E+01 -8.152370E+01
+ --- V(i) 5.000000E-01 5.000000E-01 -6.758706E-01 -6.758706E-01
+ --- Li(i) 0 1.396371E-13 1.397769E-13 -3.252793E+01 -3.252693E+01 -1.000361E-03 -1.665335E-15
+ --- Norms of Delta G(): 1.000361E-03 1.665335E-15
+ --- Phase_Name KMoles(after update)
+ --- --------------------------------------------------
+ --- MoltenSalt_electrolyte = 1.0000000E+01
+ --- Li7Si3_and_Interstitials(S) = 1.0000000E+00
+ --- LiFixed = 1.0000500E+02
+ -------------------------------------------------------------------------------------------------------
+ --- Total Old Dimensionless Gibbs Free Energy = -4.1206813510191E+03
+ --- Total New Dimensionless Gibbs Free Energy = -4.1206813510191E+03
+
+
+
+
+--------------------------------------------------------------------------------
+--------------------------------------------------------------------------------
+ VCS_TP REPORT
+--------------------------------------------------------------------------------
+--------------------------------------------------------------------------------
+ Temperature = 6.3e+02 Kelvin
+ Pressure = 1.0132e+05 Pa
+ total Volume = 5.5343 m**3
+
+
+--------------------------------------------------------------------------------
+ Species Equilibrium kmoles Mole Fraction ChemPot/RT SpecUnkType
+--------------------------------------------------------------------------------
+ LiFixed 1.0000500E+02 1.0000000E+00 -3.1851E+01 0
+ LiCl(L) 7.0000000E+00 7.0000000E-01 -8.6601E+01 0
+ KCl(L) 3.0000000E+00 3.0000000E-01 -9.6036E+01 0
+ Li7Si3(S) 5.0000000E-01 5.0000000E-01 -8.1524E+01 0
+ V(i) 5.0000000E-01 5.0000000E-01 -6.7587E-01 0
+ Li(i) 1.3977687E-13 1.3977687E-13 -3.2527E+01 KMolNum
+--------------------------------------------------------------------------------
+
+
+-----------------------------------------------------------------------------------------------
+ |ComponentID| 0 1 2 3 4 | |
+ | Components| LiFixed LiCl(L) KCl(L) Li7Si3(S) V(i) | |
+ NonComponent | Moles | 100 7 3 0.5 0.5 | DG/RT Rxn |
+-----------------------------------------------------------------------------------------------
+ 5 Li(i) | 1.4e-13 | -1.00 0.00 0.00 0.00 -1.00 | -1.67e-15 |
+-----------------------------------------------------------------------------------------------
+
+
+
+
+------------------------------------------------------------------------------------------------------------
+ | ElementID | 0 1 2 3 4 | |
+ | Element | Li K Cl Si LC_1_Li7Si | |
+ PhaseName |KMolTarget | 111 3 10 1.5 0 | Gibbs Total |
+------------------------------------------------------------------------------------------------------------
+ 0 MoltenSalt_e | 1.000e+01 | 7 3 10 0 0 | -8.94316801288E+02 |
+ 1 Li7Si3_and_I | 1.000e+00 | 3.5 0 0 1.5 -5.57e-17 | -4.10997872170E+01 |
+ 2 LiFixed | 1.000e+02 | 100 0 0 0 0 | -3.18526476251E+03 |
+------------------------------------------------------------------------------------------------------------
+ TOTAL | 1.110e+02 | 111 3 10 1.5 -5.57e-17 | -4.12068135102E+03 |
+------------------------------------------------------------------------------------------------------------
+
+
+ Total Dimensionless Gibbs Free Energy = G/RT = -4.1206814E+03
+
+Elemental Abundances (kmol): Actual Target Type ElActive
+ Li 1.105050000000E+02 1.105050000000E+02 0 1
+ K 3.000000000000E+00 3.000000000000E+00 0 1
+ Cl 1.000000000000E+01 1.000000000000E+01 0 1
+ Si 1.500000000000E+00 1.500000000000E+00 0 1
+ LC -5.572421580530E-17 0.000000000000E+00 3 1
+
+
+---------------------------------------------------------------------------------------------
+Chemical Potentials of the Species: (dimensionless)
+ (RT = 5.19779e+06 J/kmol)
+ Name TKMoles StandStateChemPot ln(AC) ln(X_i) | F z_i phi | ChemPot | (-lnMnaught)| (MolNum ChemPot)|
+---------------------------------------------------------------------------------------------------------------------------------------------------
+ LiFixed 1.0000500E+02 -3.1851055E+01 0.0000000E+00 0.0000000E+00 | 0.0000000E+00 | -3.1851E+01 | | -3.185264763E+03 |
+ LiCl(L) 7.0000000E+00 -8.5938589E+01 -3.0594076E-01 -3.5667494E-01 | 0.0000000E+00 | -8.6601E+01 | | -6.062084343E+02 |
+ KCl(L) 3.0000000E+00 -9.3494204E+01 -1.3379456E+00 -1.2039728E+00 | 0.0000000E+00 | -9.6036E+01 | | -2.881083670E+02 |
+ Li7Si3(S) 5.0000000E-01 -8.0830557E+01 0.0000000E+00 -6.9314718E-01 | 0.0000000E+00 | -8.1524E+01 | | -4.076185191E+01 |
+ V(i) 5.0000000E-01 1.7276566E-02 0.0000000E+00 -6.9314718E-01 | 0.0000000E+00 | -6.7587E-01 | | -3.379353072E-01 |
+ Li(i) 1.3977687E-13 -2.9281966E+00 0.0000000E+00 -2.9598729E+01 | 0.0000000E+00 | -3.2527E+01 | | -4.546511725E-12 |
+ -4.120681351E+03
+---------------------------------------------------------------------------------------------------------------------------------------------------
+
+
+Counters: Iterations Time (seconds)
+ vcs_basopt: 1 NA
+ vcs_TP: 3 NA
+--------------------------------------------------------------------------------
+--------------------------------------------------------------------------------
+
+TCounters: Num_Calls Total_Its Total_Time (seconds)
+ vcs_basopt: 1 1 NA
+ vcs_TP: 1 3 NA
+ vcs_inest: 0 NA
+ vcs_TotalTime: NA
+
+ Results from vcs:
+
+Temperature = 625.15 Kelvin
+Pressure = 101325 Pa
+
+-------------------------------------------------------------
+ Name Mole_Number(kmol) Mole_Fraction Chem_Potential (J/kmol)
+-------------------------------------------------------------
+LiCl(L) 7.000e+00 7.000e-01 -4.501e+08
+KCl(L) 3.000e+00 3.000e-01 -4.992e+08
+Li7Si3(S) 5.000e-01 5.000e-01 -4.237e+08
+Li(i) 1.398e-13 1.398e-13 -1.691e+08
+V(i) 5.000e-01 5.000e-01 -3.513e+06
+LiFixed 1.000e+02 1.000e+00 -1.656e+08
+-------------------------------------------------------------
+*************** MoltenSalt_electrolyte *****************
+Moles: 10
+
+ MoltenSalt_electrolyte:
+
+ temperature 625.15 K
+ pressure 101325 Pa
+ density 2042.12 kg/m^3
+ mean mol. weight 52.0409 amu
+
+ 1 kg 1 kmol
+ ----------- ------------
+ enthalpy -7.38456e+06 -3.843e+08 J
+ internal energy -7.38461e+06 -3.843e+08 J
+ entropy 2475.86 1.288e+05 J/K
+ Gibbs function -8.93235e+06 -4.648e+08 J
+ heat capacity c_p 1331.6 6.93e+04 J/K
+ heat capacity c_v 1171.83 6.098e+04 J/K
+
+ X Y Chem. Pot. / RT
+ ------------- ------------ ------------
+ LiCl(L) 0.7 0.570236 -86.6012
+ KCl(L) 0.3 0.429764 -96.0361
+
+*************** Li7Si3_and_Interstitials(S) *****************
+Moles: 1
+
+ Li7Si3_and_Interstitials(S):
+
+ temperature 625.15 K
+ pressure 101325 Pa
+ density 1390 kg/m^3
+ mean mol. weight 66.4218 amu
+
+ 1 kg 1 kmol
+ ----------- ------------
+ enthalpy -2.50059e+06 -1.661e+08 J
+ internal energy -2.50088e+06 -1.661e+08 J
+ entropy 6115.97 4.062e+05 J/K
+ Gibbs function -6.32399e+06 -4.201e+08 J
+ heat capacity c_p 4196.84 2.788e+05 J/K
+ heat capacity c_v 4196.84 2.788e+05 J/K
+
+ X Y Chem. Pot. / RT
+ ------------- ------------ ------------
+ Li7Si3(S) 0.5 1 -80.8306
+ Li(i) 1.39777e-13 1.46065e-14 -31.8338
+ V(i) 0.5 7.52765e-23 0.0172766
+
+*************** LiFixed *****************
+Moles: 100.005
+
+ LiFixed:
+
+ temperature 625.15 K
+ pressure 101325 Pa
+ density 0.001 kg/m^3
+ mean mol. weight 6.941 amu
+
+ 1 kg 1 kmol
+ ----------- ------------
+ enthalpy -2.38518e+07 -1.656e+08 J
+ internal energy -1.23977e+14 -8.605e+14 J
+ entropy 0 0 J/K
+ Gibbs function -2.38518e+07 -1.656e+08 J
+ heat capacity c_p 0 0 J/K
+ heat capacity c_v 0 0 J/K
+
+ X Y Chem. Pot. / RT
+ ------------- ------------ ------------
+ LiFixed 1 1 -31.8511
+
+