void SpeciesThermoFactory::installThermoForSpecies
(size_t k, const XML_Node& speciesNode, ThermoPhase* th_ptr,
SpeciesThermo& spthermo, const XML_Node* phaseNode_ptr) const
{
shared_ptr<SpeciesThermoInterpType> stit(
newSpeciesThermoInterpType(speciesNode.child("thermo")));
stit->validate(speciesNode["name"]);
spthermo.install_STIT(k, stit);
}
PDSS* VPSSMgr_IdealGas::createInstallPDSS(size_t k, const XML_Node& speciesNode,
const XML_Node* const phaseNode_ptr)
{
const XML_Node* ss = speciesNode.findByName("standardState");
if (ss && ss->attrib("model") != "ideal_gas") {
throw CanteraError("VPSSMgr_IdealGas::createInstallPDSS",
"standardState model for species isn't "
"ideal_gas: " + speciesNode["name"]);
}
if (m_Vss.size() < k+1) {
m_Vss.resize(k+1, 0.0);
}
shared_ptr<SpeciesThermoInterpType> stit(
newSpeciesThermoInterpType(speciesNode.child("thermo")));
stit->validate(speciesNode["name"]);
m_spthermo->install_STIT(k, stit);
PDSS* kPDSS = new PDSS_IdealGas(m_vptp_ptr, k, speciesNode,
*phaseNode_ptr, true);
m_p0 = m_spthermo->refPressure(k);
return kPDSS;
}
FixedChemPotSSTP::FixedChemPotSSTP(const std::string& Ename, doublereal val) :
chemPot_(0.0)
{
std::string pname = Ename + "Fixed";
setID(pname);
setName(pname);
setNDim(3);
addElement(Ename);
auto sp = make_shared<Species>(pname, parseCompString(Ename + ":1.0"));
double c[4] = {298.15, val, 0.0, 0.0};
shared_ptr<SpeciesThermoInterpType> stit(
newSpeciesThermoInterpType("const_cp", 0.1, 1e30, OneAtm, c));
sp->thermo = stit;
addSpecies(sp);
initThermo();
m_p0 = OneAtm;
m_tlast = 298.15;
setChemicalPotential(val);
// Create an XML_Node entry for this species
XML_Node s("species", 0);
s.addAttribute("name", pname);
std::string aaS = Ename + ":1";
s.addChild("atomArray", aaS);
XML_Node& tt = s.addChild("thermo");
XML_Node& ss = tt.addChild("Simple");
ss.addAttribute("Pref", "1 bar");
ss.addAttribute("Tmax", "5000.");
ss.addAttribute("Tmin", "100.");
ss.addChild("t0", "298.15");
ss.addChild("cp0", "0.0");
std::string sval = fp2str(val);
ss.addChild("h", sval);
ss.addChild("s", "0.0");
saveSpeciesData(0, &s);
}