144 lines
3.8 KiB
C++
Executable file
144 lines
3.8 KiB
C++
Executable file
/**
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*
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* @file ConstDensityThermo.cpp
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*
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*/
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#ifdef WIN32
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#pragma warning(disable:4786)
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#pragma warning(disable:4503)
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#endif
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#include "ct_defs.h"
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#include "mix_defs.h"
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#include "ConstDensityThermo.h"
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#include "SpeciesThermo.h"
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namespace Cantera {
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int ConstDensityThermo::
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eosType() const { return cIncompressible; }
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doublereal ConstDensityThermo::enthalpy_mole() const {
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doublereal p0 = m_spthermo->refPressure();
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return GasConstant * temperature() *
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mean_X(&enthalpy_RT()[0])
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+ (pressure() - p0)/molarDensity();
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}
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doublereal ConstDensityThermo::intEnergy_mole() const {
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doublereal p0 = m_spthermo->refPressure();
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return GasConstant * temperature() *
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mean_X(&enthalpy_RT()[0])
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- p0/molarDensity();
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}
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doublereal ConstDensityThermo::entropy_mole() const {
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return GasConstant * (mean_X(&entropy_R()[0]) -
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sum_xlogx());
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}
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doublereal ConstDensityThermo::gibbs_mole() const {
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return enthalpy_mole() - temperature() * entropy_mole();
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}
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doublereal ConstDensityThermo::cp_mole() const {
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return GasConstant * mean_X(&cp_R()[0]);
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}
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doublereal ConstDensityThermo::cv_mole() const {
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return cp_mole();
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}
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doublereal ConstDensityThermo::pressure() const {
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return m_press;
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}
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void ConstDensityThermo::setPressure(doublereal p) {
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m_press = p;
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}
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void ConstDensityThermo::getActivityConcentrations(doublereal* c) const {
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getConcentrations(c);
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}
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void ConstDensityThermo::getActivityCoefficients(doublereal* ac) const {
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for (int k = 0; k < m_kk; k++) {
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ac[k] = 1.0;
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}
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}
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doublereal ConstDensityThermo::standardConcentration(int k) const {
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return molarDensity();
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}
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doublereal ConstDensityThermo::logStandardConc(int k) const {
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return log(molarDensity());
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}
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void ConstDensityThermo::getChemPotentials(doublereal* mu) const {
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doublereal vdp = (pressure() - m_spthermo->refPressure())/
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molarDensity();
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doublereal xx;
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doublereal rt = temperature() * GasConstant;
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const array_fp& g_RT = gibbs_RT();
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for (int k = 0; k < m_kk; k++) {
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xx = fmaxx(SmallNumber, moleFraction(k));
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mu[k] = rt*(g_RT[k] + log(xx)) + vdp;
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}
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}
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void ConstDensityThermo::getStandardChemPotentials(doublereal* mu0) const {
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getPureGibbs(mu0);
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}
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void ConstDensityThermo::initThermo() {
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m_kk = nSpecies();
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m_mm = nElements();
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doublereal tmin = m_spthermo->minTemp();
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doublereal tmax = m_spthermo->maxTemp();
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if (tmin > 0.0) m_tmin = tmin;
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if (tmax > 0.0) m_tmax = tmax;
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m_p0 = refPressure();
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int leng = m_kk;
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m_h0_RT.resize(leng);
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m_g0_RT.resize(leng);
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m_expg0_RT.resize(leng);
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m_cp0_R.resize(leng);
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m_s0_R.resize(leng);
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m_pe.resize(leng, 0.0);
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m_pp.resize(leng);
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}
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void ConstDensityThermo::setToEquilState(const doublereal* lambda_RT) {
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throw CanteraError("setToEquilState","not yet impl.");
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}
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void ConstDensityThermo::_updateThermo() const {
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doublereal tnow = temperature();
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if (m_tlast != tnow) {
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m_spthermo->update(tnow, &m_cp0_R[0], &m_h0_RT[0],
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&m_s0_R[0]);
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m_tlast = tnow;
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int k;
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for (k = 0; k < m_kk; k++) {
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m_g0_RT[k] = m_h0_RT[k] - m_s0_R[k];
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}
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m_tlast = tnow;
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}
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}
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void ConstDensityThermo::setParametersFromXML(const XML_Node& eosdata) {
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eosdata._require("model","Incompressible");
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doublereal rho = getFloat(eosdata, "density", "-");
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setDensity(rho);
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}
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}
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