void IdealGasPhase::getIntEnergy_RT_ref(doublereal* urt) const
{
const vector_fp& _h = enthalpy_RT_ref();
for (size_t k = 0; k < m_kk; k++) {
urt[k] = _h[k] - 1.0;
}
}
void IdealGasPhase::getPartialMolarIntEnergies(doublereal* ubar) const
{
const vector_fp& _h = enthalpy_RT_ref();
for (size_t k = 0; k < m_kk; k++) {
ubar[k] = RT() * (_h[k] - 1.0);
}
}
/*
* Get the array of partial molar internal energies of the species
* units = J / kmol
*/
void PecosGasPhase::getPartialMolarIntEnergies(doublereal* ubar) const {
const array_fp& _h = enthalpy_RT_ref();
doublereal rt = GasConstant * temperature();
for (int k = 0; k < m_kk; k++) {
ubar[k] = rt * (_h[k] - 1.0);
}
}
doublereal LatticePhase::
enthalpy_mole() const {
doublereal p0 = m_spthermo->refPressure();
return GasConstant * temperature() *
mean_X(&enthalpy_RT_ref()[0])
+ (pressure() - p0)/molarDensity();
}
void LatticePhase::getEnthalpy_RT(doublereal* hrt) const
{
const vector_fp& _h = enthalpy_RT_ref();
doublereal delta_prt = (m_Pcurrent - m_Pref) / RT();
for (size_t k = 0; k < m_kk; k++) {
hrt[k] = _h[k] + delta_prt * m_speciesMolarVolume[k];
}
}
void LatticePhase::getEnthalpy_RT(doublereal* hrt) const {
const array_fp& _h = enthalpy_RT_ref();
std::copy(_h.begin(), _h.end(), hrt);
doublereal tmp = (pressure() - m_p0) / (molarDensity() * GasConstant * temperature());
for (size_t k = 0; k < m_kk; k++) {
hrt[k] += tmp;
}
}
void IdealSolidSolnPhase::getIntEnergy_RT_ref(doublereal* urt) const
{
const vector_fp& _h = enthalpy_RT_ref();
doublereal prefrt = m_Pref / (GasConstant * temperature());
for (size_t k = 0; k < m_kk; k++) {
urt[k] = _h[k] - prefrt * m_speciesMolarVolume[k];
}
}
void IdealGasPhase::getEnthalpy_RT_ref(doublereal* hrt) const
{
const vector_fp& _h = enthalpy_RT_ref();
copy(_h.begin(), _h.end(), hrt);
}
void IdealGasPhase::getPartialMolarEnthalpies(doublereal* hbar) const
{
const vector_fp& _h = enthalpy_RT_ref();
doublereal rt = GasConstant * temperature();
scale(_h.begin(), _h.end(), hbar, rt);
}
/**
* Return the difference in enthalpy between current p
* and ref p0, in mks units of
* in units of J kmol-1
*/
doublereal PDSS::
enthalpyDelp_mole() const {
doublereal RT = m_temp * GasConstant;
doublereal tmp = enthalpy_RT_ref();
return(enthalpy_mole() - RT * tmp);
}
void IdealGasPhase::getPartialMolarEnthalpies(doublereal* hbar) const
{
const vector_fp& _h = enthalpy_RT_ref();
scale(_h.begin(), _h.end(), hbar, RT());
}
/*
* Returns the vector of nondimensional
* internal Energies of the reference state at the current temperature
* of the solution and the reference pressure for each species.
*/
void PecosGasPhase::getIntEnergy_RT_ref(doublereal *urt) const {
const array_fp& _h = enthalpy_RT_ref();
for (int k = 0; k < m_kk; k++) {
urt[k] = _h[k] - 1.0;
}
}
/*
* Returns the vector of nondimensional
* enthalpies of the reference state at the current temperature
* and reference presssure.
*/
void PecosGasPhase::getEnthalpy_RT_ref(doublereal *hrt) const {
const array_fp& _h = enthalpy_RT_ref();
copy(_h.begin(), _h.end(), hrt);
}
/*
* Molar internal energy. J/kmol. For an ideal gas mixture,
* \f[
* \hat u(T) = \sum_k X_k \hat h^0_k(T) - \hat R T,
* \f]
* and is a function only of temperature.
* The reference-state pure-species enthalpies
* \f$ \hat h^0_k(T) \f$ are computed by the species thermodynamic
* property manager.
* @see SpeciesThermo
*/
doublereal PecosGasPhase::intEnergy_mole() const {
return GasConstant * temperature()
* ( mean_X(&enthalpy_RT_ref()[0]) - 1.0);
}
doublereal LatticePhase::enthalpy_mole() const
{
return RT() * mean_X(enthalpy_RT_ref()) +
(pressure() - m_Pref)/molarDensity();
}
doublereal IdealSolidSolnPhase::enthalpy_mole() const
{
doublereal htp = GasConstant * temperature() * mean_X(enthalpy_RT_ref());
return htp + (pressure() - m_Pref)/molarDensity();
}
