doublereal LatticePhase::
enthalpy_mole() const {
doublereal p0 = m_spthermo->refPressure();
return GasConstant * temperature() *
mean_X(&enthalpy_RT_ref()[0])
+ (pressure() - p0)/molarDensity();
}
doublereal MaskellSolidSolnPhase::enthalpy_mole() const
{
_updateThermo();
const doublereal h0 = RT() * mean_X(m_h0_RT);
const doublereal r = moleFraction(product_species_index);
const doublereal fmval = fm(r);
return h0 + r * fmval * h_mixing;
}
doublereal SurfPhase::enthalpy_mole() const
{
if (m_n0 <= 0.0) {
return 0.0;
}
_updateThermo();
return mean_X(DATA_PTR(m_h0));
}
doublereal MaskellSolidSolnPhase::entropy_mole() const
{
_updateThermo();
const doublereal s0 = GasConstant * mean_X(m_s0_R);
const doublereal r = moleFraction(product_species_index);
const doublereal fmval = fm(r);
const doublereal rfm = r * fmval;
return s0 + GasConstant * (xlogx(1-rfm) - xlogx(rfm) - xlogx(1-r-rfm) - xlogx((1-fmval)*r) - xlogx(1-r) - xlogx(r));
}
void IdealMolalSoln::calcDensity()
{
getPartialMolarVolumes(m_tmpV.data());
doublereal dd = meanMolecularWeight() / mean_X(m_tmpV);
Phase::setDensity(dd);
}
doublereal IdealMolalSoln::cp_mole() const
{
getPartialMolarCp(m_tmpV.data());
return mean_X(m_tmpV);
}
/// Molar entropy. Units: J/kmol/K.
doublereal IdealSolnGasVPSS::entropy_mole() const {
updateStandardStateThermo();
const vector_fp &entrop_R = m_VPSS_ptr->entropy_R();
return GasConstant * (mean_X(DATA_PTR(entrop_R)) - sum_xlogx());
}
doublereal IdealGasPhase::entropy_mole() const
{
return GasConstant * (mean_X(entropy_R_ref()) - sum_xlogx() - std::log(pressure() / m_spthermo->refPressure()));
}
/*
* 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::entropy_mole() const
{
return GasConstant * (mean_X(entropy_R_ref()) - sum_xlogx());
}
doublereal IdealSolidSolnPhase::gibbs_mole() const
{
return GasConstant * temperature() * (mean_X(gibbs_RT_ref()) + sum_xlogx());
}
doublereal IdealSolidSolnPhase::entropy_mole() const
{
return GasConstant * (mean_X(entropy_R_ref()) - sum_xlogx());
}
doublereal IdealSolidSolnPhase::enthalpy_mole() const
{
doublereal htp = GasConstant * temperature() * mean_X(enthalpy_RT_ref());
return htp + (pressure() - m_Pref)/molarDensity();
}
doublereal SurfPhase::cp_mole() const
{
_updateThermo();
return mean_X(&m_cp0[0]);
}
/// Molar heat capacity at constant pressure. Units: J/kmol/K.
doublereal IdealSolnGasVPSS::cp_mole() const {
updateStandardStateThermo();
const vector_fp &cp_R = m_VPSS_ptr->cp_R();
return GasConstant * (mean_X(DATA_PTR(cp_R)));
}
doublereal IdealMolalSoln::intEnergy_mole() const
{
getPartialMolarEnthalpies(m_tmpV.data());
return mean_X(m_tmpV);
}
doublereal LatticePhase::enthalpy_mole() const
{
return RT() * mean_X(enthalpy_RT_ref()) +
(pressure() - m_Pref)/molarDensity();
}
doublereal ConstDensityThermo::intEnergy_mole() const {
doublereal p0 = m_spthermo->refPressure();
return GasConstant * temperature() *
mean_X(&enthalpy_RT()[0])
- p0/molarDensity();
}
doublereal LatticePhase::cp_mole() const
{
return GasConstant * mean_X(cp_R_ref());
}
doublereal ConstDensityThermo::entropy_mole() const {
return GasConstant * (mean_X(&entropy_R()[0]) -
sum_xlogx());
}
/*
* Molar heat capacity at constant pressure. Units: J/kmol/K.
* For an ideal gas mixture,
* \f[
* \hat c_p(t) = \sum_k \hat c^0_{p,k}(T).
* \f]
* The reference-state pure-species heat capacities
* \f$ \hat c^0_{p,k}(T) \f$ are computed by the species thermodynamic
* property manager.
* @see SpeciesThermo
*/
doublereal PecosGasPhase::cp_mole() const {
return GasConstant * mean_X(&cp_R_ref()[0]);
}
doublereal ConstDensityThermo::cp_mole() const {
return GasConstant * mean_X(&cp_R()[0]);
}
doublereal IdealMolalSoln::entropy_mole() const
{
getPartialMolarEntropies(m_tmpV.data());
return mean_X(m_tmpV);
}
doublereal IdealMolalSoln::gibbs_mole() const
{
getChemPotentials(m_tmpV.data());
return mean_X(m_tmpV);
}
doublereal IdealGasPhase::cp_mole() const
{
return GasConstant * mean_X(cp_R_ref());
}
/// Molar enthalpy. Units: J/kmol.
doublereal IdealSolnGasVPSS::enthalpy_mole() const {
updateStandardStateThermo();
const vector_fp &enth_RT = m_VPSS_ptr->enthalpy_RT();
return (GasConstant * temperature() *
mean_X(DATA_PTR(enth_RT)));
}
