/**
* @internal Initialize. This method is provided to allow
* subclasses to perform any initialization required after all
* species have been added. For example, it might be used to
* resize internal work arrays that must have an entry for
* each species. The base class implementation does nothing,
* and subclasses that do not require initialization do not
* need to overload this method. When importing a CTML phase
* description, this method is called just prior to returning
* from function importPhase.
*
* @see importCTML.cpp
*/
void StoichSubstanceSSTP::initThermo() {
/*
* Make sure there is one and only one species in this phase.
*/
m_kk = nSpecies();
if (m_kk != 1) {
throw CanteraError("initThermo",
"stoichiometric substances may only contain one species.");
}
doublereal tmin = m_spthermo->minTemp();
doublereal tmax = m_spthermo->maxTemp();
if (tmin > 0.0) m_tmin = tmin;
if (tmax > 0.0) m_tmax = tmax;
/*
* Store the reference pressure in the variables for the class.
*/
m_p0 = refPressure();
/*
* Resize temporary arrays.
*/
int leng = 1;
m_h0_RT.resize(leng);
m_cp0_R.resize(leng);
m_s0_R.resize(leng);
/*
* Call the base class thermo initializer
*/
SingleSpeciesTP::initThermo();
}
void MixtureFugacityTP::getStandardVolumes_ref(doublereal* vol) const
{
_updateReferenceStateThermo();
doublereal v0 = _RT() / refPressure();
for (size_t i = 0; i < m_kk; i++) {
vol[i]= v0;
}
}
void IdealGasPhase::initThermo()
{
ThermoPhase::initThermo();
m_p0 = refPressure();
m_h0_RT.resize(m_kk);
m_g0_RT.resize(m_kk);
m_expg0_RT.resize(m_kk);
m_cp0_R.resize(m_kk);
m_s0_R.resize(m_kk);
m_pp.resize(m_kk);
}
void LatticePhase::initThermo()
{
m_Pref = refPressure();
m_h0_RT.resize(m_kk);
m_g0_RT.resize(m_kk);
m_cp0_R.resize(m_kk);
m_s0_R.resize(m_kk);
m_speciesMolarVolume.resize(m_kk, 0.0);
ThermoPhase::initThermo();
}
void StoichSubstance::initThermo()
{
// Make sure there is one and only one species in this phase.
if (m_kk != 1) {
throw CanteraError("initThermo",
"stoichiometric substances may only contain one species.");
}
// Store the reference pressure in the variables for the class.
m_p0 = refPressure();
// Call the base class thermo initializer
SingleSpeciesTP::initThermo();
}
void LatticePhase::initThermo() {
m_kk = nSpecies();
m_mm = nElements();
doublereal tmin = m_spthermo->minTemp();
doublereal tmax = m_spthermo->maxTemp();
if (tmin > 0.0) m_tmin = tmin;
if (tmax > 0.0) m_tmax = tmax;
m_p0 = refPressure();
m_h0_RT.resize(m_kk);
m_g0_RT.resize(m_kk);
m_cp0_R.resize(m_kk);
m_s0_R.resize(m_kk);
setMolarDensity(m_molar_density);
}
void ConstDensityThermo::initThermo() {
m_kk = nSpecies();
m_mm = nElements();
doublereal tmin = m_spthermo->minTemp();
doublereal tmax = m_spthermo->maxTemp();
if (tmin > 0.0) m_tmin = tmin;
if (tmax > 0.0) m_tmax = tmax;
m_p0 = refPressure();
m_h0_RT.resize(m_kk);
m_g0_RT.resize(m_kk);
m_expg0_RT.resize(m_kk);
m_cp0_R.resize(m_kk);
m_s0_R.resize(m_kk);
m_pe.resize(m_kk, 0.0);
m_pp.resize(m_kk);
}
void PecosGasPhase::initThermo() {
m_mm = nElements();
doublereal tmin = m_spthermo->minTemp();
doublereal tmax = m_spthermo->maxTemp();
if (tmin > 0.0) m_tmin = tmin;
if (tmax > 0.0) m_tmax = tmax;
m_p0 = refPressure();
int leng = m_kk;
m_h0_RT.resize(leng);
m_g0_RT.resize(leng);
m_expg0_RT.resize(leng);
m_cp0_R.resize(leng);
m_s0_R.resize(leng);
m_pe.resize(leng, 0.0);
m_pp.resize(leng);
}
void IdealSolidSolnPhase::initLengths()
{
/*
* Obtain the reference pressure by calling the ThermoPhase
* function refPressure, which in turn calls the
* species thermo reference pressure function of the
* same name.
*/
m_Pref = refPressure();
m_h0_RT.resize(m_kk);
m_g0_RT.resize(m_kk);
m_expg0_RT.resize(m_kk);
m_cp0_R.resize(m_kk);
m_s0_R.resize(m_kk);
m_pe.resize(m_kk, 0.0);
m_pp.resize(m_kk);
m_speciesMolarVolume.resize(m_kk);
}
void MixtureFugacityTP::_updateReferenceStateThermo() const
{
double Tnow = temperature();
// If the temperature has changed since the last time these
// properties were computed, recompute them.
if (m_Tlast_ref != Tnow) {
m_spthermo->update(Tnow, &m_cp0_R[0], &m_h0_RT[0], &m_s0_R[0]);
m_Tlast_ref = Tnow;
// update the species Gibbs functions
for (size_t k = 0; k < m_kk; k++) {
m_g0_RT[k] = m_h0_RT[k] - m_s0_R[k];
}
doublereal pref = refPressure();
if (pref <= 0.0) {
throw CanteraError("MixtureFugacityTP::_updateReferenceStateThermo()", "neg ref pressure");
}
m_logc0 = log(pref/(GasConstant * Tnow));
}
}
void StoichSubstance::initThermo()
{
ThermoPhase::initThermo();
if (m_kk > 1) {
throw CanteraError("initThermo",
"stoichiometric substances may only contain one species.");
}
doublereal tmin = m_spthermo->minTemp();
doublereal tmax = m_spthermo->maxTemp();
m_p0 = refPressure();
m_h0_RT.resize(m_kk);
m_cp0_R.resize(m_kk);
m_s0_R.resize(m_kk);
// Put the object on a valid temperature point.
double tnow = 300.;
if (tnow > tmin && tnow < tmax) {
} else {
tnow = 0.1 * (9 * tmin + tmax);
}
setState_TP(tnow, m_p0);
}