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))); }