research/cantera
1
0
Fork 0
Code Issues Pull requests Projects Releases Packages Wiki Activity Actions

[Test] Fix VCS-LiSi test to not use deprecated "testProb" constructor

Browse source
This commit is contained in:
Ray Speth 2015-07-15 11:34:39 -04:00
parent 546289f737
commit d4299fc6da
4 changed files with 3 additions and 75 deletions
Show stats Download patch file Download diff file Expand all files Collapse all files

9
include/cantera/thermo/MargulesVPSSTP.h
View file

@ -295,15 +295,6 @@ public:
*/
MargulesVPSSTP(XML_Node& phaseRef, const std::string& id = "");
//! Special constructor for a hard-coded problem
/*!
* @param testProb Hard-coded value. Only the value of 1 is used. It's
* for a LiKCl system test to predict the eutectic and
* liquidus correctly.
* @deprecated To be removed after Cantera 2.2.
*/
MargulesVPSSTP(int testProb);
//! Copy constructor
/*!
* Note this stuff will not work until the underlying phase

60
src/thermo/MargulesVPSSTP.cpp
View file

@ -82,66 +82,6 @@ MargulesVPSSTP::duplMyselfAsThermoPhase() const
return new MargulesVPSSTP(*this);
}
MargulesVPSSTP::MargulesVPSSTP(int testProb) :
GibbsExcessVPSSTP(),
numBinaryInteractions_(0),
formMargules_(0),
formTempModel_(0)
{
warn_deprecated("MargulesVPSSTP::MargulesVPSSTP(int testProb)",
"To be removed after Cantera 2.2");
initThermoFile("LiKCl_liquid.xml", "");
numBinaryInteractions_ = 1;
m_HE_b_ij.resize(1);
m_HE_c_ij.resize(1);
m_HE_d_ij.resize(1);
m_SE_b_ij.resize(1);
m_SE_c_ij.resize(1);
m_SE_d_ij.resize(1);
m_VHE_b_ij.resize(1);
m_VHE_c_ij.resize(1);
m_VHE_d_ij.resize(1);
m_VSE_b_ij.resize(1);
m_VSE_c_ij.resize(1);
m_VSE_d_ij.resize(1);
m_pSpecies_A_ij.resize(1);
m_pSpecies_B_ij.resize(1);
m_HE_b_ij[0] = -17570E3;
m_HE_c_ij[0] = -377.0E3;
m_HE_d_ij[0] = 0.0;
m_SE_b_ij[0] = -7.627E3;
m_SE_c_ij[0] = 4.958E3;
m_SE_d_ij[0] = 0.0;
size_t iLiCl = speciesIndex("LiCl(L)");
if (iLiCl == npos) {
throw CanteraError("MargulesVPSSTP test1 constructor",
"Unable to find LiCl(L)");
}
m_pSpecies_B_ij[0] = iLiCl;
size_t iKCl = speciesIndex("KCl(L)");
if (iKCl == npos) {
throw CanteraError("MargulesVPSSTP test1 constructor",
"Unable to find KCl(L)");
}
m_pSpecies_A_ij[0] = iKCl;
}
/*
* - Activities, Standard States, Activity Concentrations -----------
*/

6
test_problems/VCSnonideal/LatticeSolid_LiSi/LiKCl_liquid.xml
View file

@ -22,16 +22,14 @@
<standardConc model="constant_volume" />
<activityCoefficients model="Margules" TempModel="constant">
<!--binaryPseudoSpeciesParameters speciesA="KCl(L)" speciesB="LiCl(L)"-->
<binaryPseudoSpeciesParameters speciesA="KCl(L)" speciesB="LiCl(L)">
<binaryNeutralSpeciesParameters speciesA="KCl(L)" speciesB="LiCl(L)">
<excessEnthalpy model="poly_Xb" terms="2" units="J/gmol">
-17570., -377
</excessEnthalpy>
<excessEntropy model="poly_Xb" terms="2" units="J/gmol/K">
-7.627, 4.958
</excessEntropy>
</binaryPseudoSpeciesParameters>
<!--/binaryPseudoSpeciesParameters-->
</binaryNeutralSpeciesParameters>
</activityCoefficients>
</thermo>

3
test_problems/VCSnonideal/LatticeSolid_LiSi/latsol.cpp
View file

@ -12,7 +12,6 @@ using namespace Cantera;
void testProblem()
{
suppress_deprecation_warnings();
double T = 273.15 + 352.0;
vcs_timing_print_lvl = 0;
@ -21,7 +20,7 @@ void testProblem()
"Li7Si3_and_Interstitials(S)"));
std::auto_ptr<ThermoPhase> Li_liq(newPhase("Li_Liquid.xml", "Li(L)"));
FixedChemPotSSTP LiFixed("Li", -2.3E7);
MargulesVPSSTP salt(1);
MargulesVPSSTP salt("LiKCl_liquid.xml", "MoltenSalt_electrolyte");
// set states
vector_fp x(salt.nSpecies(), 0);