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[Thermo] Fix default molar volume in LatticePhase

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Molar volume is the inverse of molar "site" density
This commit is contained in:
Ray Speth 2017-06-18 17:45:24 -04:00
parent 37be501a68
commit f3ba29f0bc
3 changed files with 3 additions and 3 deletions
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2
src/thermo/LatticePhase.cpp
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@ -267,7 +267,7 @@ void LatticePhase::initThermoXML(XML_Node& phaseNode, const std::string& id_)
XML_Node* speciesDB = get_XML_NameID("speciesData", speciesList["datasrc"], &phaseNode.root());
for (size_t k = 0; k < m_kk; k++) {
m_speciesMolarVolume[k] = m_site_density;
m_speciesMolarVolume[k] = 1.0 / m_site_density;
XML_Node* s = speciesDB->findByAttr("name", speciesName(k));
if (!s) {
throw CanteraError(" LatticePhase::initThermoXML", "database problems");

2
test_problems/VCSnonideal/LatticeSolid_LiSi/output_blessed.txt
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@ -145,7 +145,7 @@ VCS CALCULATION METHOD
--------------------------------------------------------------------------------
Temperature = 6.3e+02 Kelvin
Pressure = 1.0132e+05 Pa
total Volume = 5.5343 m**3
total Volume = 0.35041 m**3
--------------------------------------------------------------------------------

2
test_problems/VCSnonideal/LatticeSolid_LiSi/verbose_blessed.txt
View file

@ -384,7 +384,7 @@ VCS CALCULATION METHOD
--------------------------------------------------------------------------------
Temperature = 6.3e+02 Kelvin
Pressure = 1.0132e+05 Pa
total Volume = 5.5343 m**3
total Volume = 0.35041 m**3
--------------------------------------------------------------------------------