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[Thermo] PDSS objects store their own data

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This commit is contained in:
Ray Speth 2017-02-12 09:54:07 -05:00
parent 7b529ac2d6
commit 50ed3f2e72
12 changed files with 138 additions and 283 deletions
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13
include/cantera/thermo/MultiSpeciesThermo.h
View file

@ -90,11 +90,24 @@ public:
* @param cp_R Vector of Dimensionless heat capacities. (length m_kk).
* @param h_RT Vector of Dimensionless enthalpies. (length m_kk).
* @param s_R Vector of Dimensionless entropies. (length m_kk).
* @deprecated Use update_single() instead.
* To be removed after Cantera 2.4.
*/
virtual void update_one(size_t k, doublereal T, doublereal* cp_R,
doublereal* h_RT,
doublereal* s_R) const;
//! Like update_one, but without applying offsets to the output pointers
/*!
* @param k species index
* @param T Temperature (Kelvin)
* @param cp_R Dimensionless heat capacity
* @param h_RT Dimensionless enthalpy
* @param s_R Dimensionless entropy
*/
virtual void update_single(size_t k, double T, double* cp_R,
double* h_RT, double* s_R) const;
//! Compute the reference-state properties for all species.
/*!
* Given temperature T in K, this method updates the values of the non-

90
include/cantera/thermo/PDSS.h
View file

@ -484,13 +484,6 @@ public:
doublereal& minTemp, doublereal& maxTemp,
doublereal& refPressure) const;
private:
//! Initialize all of the internal shallow pointers that can be initialized
/*!
* This routine isn't virtual. It's only applicable for the current class
*/
void initPtrs();
//@}
protected:
@ -534,75 +527,6 @@ protected:
* zero.
*/
MultiSpeciesThermo* m_spthermo;
//! Reference state enthalpy divided by RT.
/*!
* Storage for the thermo properties is provided by VPSSMgr. This object
* owns a shallow pointer. Calculated at the current value of T and m_p0
*/
doublereal* m_h0_RT_ptr;
//! Reference state heat capacity divided by R.
/*!
* Storage for the thermo properties is provided by VPSSMgr. Calculated
* at the current value of T and m_p0
*/
doublereal* m_cp0_R_ptr;
//! Reference state entropy divided by R.
/*!
* Storage for the thermo properties is provided by VPSSMgr. Calculated
* at the current value of T and m_p0
*/
doublereal* m_s0_R_ptr;
//! Reference state Gibbs free energy divided by RT.
/*!
* Calculated at the current value of T and m_p0
*/
doublereal* m_g0_RT_ptr;
//! Reference state molar volume (m3 kg-1)
/*!
* Storage for the thermo properties is provided by VPSSMgr. Calculated
* at the current value of T and m_p0
*/
doublereal* m_V0_ptr;
//! Standard state enthalpy divided by RT.
/*!
* Storage for the thermo properties is provided by VPSSMgr. Calculated
* at the current value of T and P.
*/
doublereal* m_hss_RT_ptr;
//! Standard state heat capacity divided by R.
/*!
* Storage for the thermo properties is provided by VPSSMgr. Calculated
* at the current value of T and P.
*/
doublereal* m_cpss_R_ptr;
//! Standard state entropy divided by R.
/*!
* Storage for the thermo properties is provided by VPSSMgr. Calculated
* at the current value of T and P.
*/
doublereal* m_sss_R_ptr;
//! Standard state Gibbs free energy divided by RT.
/*!
* Storage for the thermo properties is provided by VPSSMgr. Calculated
* at the current value of T and P.
*/
doublereal* m_gss_RT_ptr;
//! Standard State molar volume (m3 kg-1)
/*!
* Storage for the thermo properties is provided by VPSSMgr. Calculated
* at the current value of T and P.
*/
doublereal* m_Vss_ptr;
};
//! Base class for PDSS classes which compute molar properties directly
@ -619,10 +543,24 @@ public:
class PDSS_Nondimensional : public virtual PDSS
{
public:
PDSS_Nondimensional();
virtual doublereal enthalpy_mole() const;
virtual doublereal entropy_mole() const;
virtual doublereal gibbs_mole() const;
virtual doublereal cp_mole() const;
protected:
double m_h0_RT; //!< Reference state enthalpy divided by RT
double m_cp0_R; //!< Reference state heat capacity divided by R
double m_s0_R; //!< Reference state entropy divided by R
double m_g0_RT; //!< Reference state Gibbs free energy divided by RT
double m_V0; //!< Reference state molar volume (m3 kg-1)
double m_hss_RT; //!< Standard state enthalpy divided by RT
double m_cpss_R; //!< Standard state heat capacity divided by R
double m_sss_R; //!< Standard state entropy divided by R
double m_gss_RT; //!< Standard state Gibbs free energy divided by RT
double m_Vss; //!< Standard State molar volume (m3 kg-1)
};
}

2
include/cantera/thermo/PDSS_SSVol.h
View file

@ -216,7 +216,7 @@ public:
private:
//! Does the internal calculation of the volume
void calcMolarVolume() const;
void calcMolarVolume();
//! @name Mechanical Equation of State Properties
//! @{

70
include/cantera/thermo/VPSSMgr.h
View file

@ -733,76 +733,6 @@ protected:
//! P = m_plast
mutable vector_fp m_Vss;
//! species reference enthalpies - used by individual PDSS objects
/*!
* Vector containing the species reference enthalpies at T = m_tlast
* and P = p_ref.
*/
mutable vector_fp mPDSS_h0_RT;
//! species reference heat capacities - used by individual PDSS objects
/**
* Vector containing the species reference constant pressure
* heat capacities at T = m_tlast and P = p_ref.
*/
mutable vector_fp mPDSS_cp0_R;
//! species reference Gibbs free energies - used by individual PDSS objects
/**
* Vector containing the species reference Gibbs functions
* at T = m_tlast and P = p_ref.
*/
mutable vector_fp mPDSS_g0_RT;
//! species reference entropies - used by individual PDSS objects
/**
* Vector containing the species reference entropies
* at T = m_tlast and P = p_ref.
*/
mutable vector_fp mPDSS_s0_R;
//! species reference state molar Volumes - used by individual PDSS objects
/**
* Vector containing the rf molar volumes
* at T = m_tlast and P = p_ref.
*/
mutable vector_fp mPDSS_V0;
//! species standard state enthalpies - used by individual PDSS objects
/*!
* Vector containing the species standard state enthalpies at T = m_tlast
* and P = p_ref.
*/
mutable vector_fp mPDSS_hss_RT;
//! species standard state heat capacities - used by individual PDSS objects
/**
* Vector containing the species standard state constant pressure
* heat capacities at T = m_tlast and P = p_ref.
*/
mutable vector_fp mPDSS_cpss_R;
//! species standard state Gibbs free energies - used by individual PDSS objects
/**
* Vector containing the species standard state Gibbs functions
* at T = m_tlast and P = p_ref.
*/
mutable vector_fp mPDSS_gss_RT;
//! species standard state entropies - used by individual PDSS objects
/**
* Vector containing the species standard state entropies
* at T = m_tlast and P = p_ref.
*/
mutable vector_fp mPDSS_sss_R;
//! species standard state molar Volumes - used by individual PDSS objects
/**
* Vector containing the ss molar volumes
* at T = m_tlast and P = p_ref.
*/
mutable vector_fp mPDSS_Vss;
friend class PDSS;
};
//@}

11
src/thermo/MultiSpeciesThermo.cpp
View file

@ -88,12 +88,23 @@ void MultiSpeciesThermo::installPDSShandler(size_t k, PDSS* PDSS_ptr,
void MultiSpeciesThermo::update_one(size_t k, doublereal t, doublereal* cp_R,
doublereal* h_RT, doublereal* s_R) const
{
warn_deprecated("MultiSpeciesThermo::update_one",
"Use update_single instead. To be removed after Cantera 2.4");
const SpeciesThermoInterpType* sp_ptr = provideSTIT(k);
if (sp_ptr) {
sp_ptr->updatePropertiesTemp(t, cp_R+k, h_RT+k, s_R+k);
}
}
void MultiSpeciesThermo::update_single(size_t k, double t, double* cp_R,
double* h_RT, double* s_R) const
{
const SpeciesThermoInterpType* sp_ptr = provideSTIT(k);
if (sp_ptr) {
sp_ptr->updatePropertiesTemp(t, cp_R, h_RT, s_R);
}
}
void MultiSpeciesThermo::update(doublereal t, doublereal* cp_R,
doublereal* h_RT, doublereal* s_R) const
{

55
src/thermo/PDSS.cpp
View file

@ -24,17 +24,7 @@ PDSS::PDSS() :
m_vpssmgr_ptr(0),
m_mw(0.0),
m_spindex(npos),
m_spthermo(0),
m_h0_RT_ptr(0),
m_cp0_R_ptr(0),
m_s0_R_ptr(0),
m_g0_RT_ptr(0),
m_V0_ptr(0),
m_hss_RT_ptr(0),
m_cpss_R_ptr(0),
m_sss_R_ptr(0),
m_gss_RT_ptr(0),
m_Vss_ptr(0)
m_spthermo(0)
{
}
@ -48,17 +38,7 @@ PDSS::PDSS(VPStandardStateTP* tp, size_t spindex) :
m_vpssmgr_ptr(0),
m_mw(0.0),
m_spindex(spindex),
m_spthermo(0),
m_h0_RT_ptr(0),
m_cp0_R_ptr(0),
m_s0_R_ptr(0),
m_g0_RT_ptr(0),
m_V0_ptr(0),
m_hss_RT_ptr(0),
m_cpss_R_ptr(0),
m_sss_R_ptr(0),
m_gss_RT_ptr(0),
m_Vss_ptr(0)
m_spthermo(0)
{
if (tp) {
m_spthermo = &tp->speciesThermo();
@ -81,26 +61,9 @@ void PDSS::initThermo()
AssertThrow(m_tp != 0, "PDSS::initThermo()");
m_vpssmgr_ptr = m_tp->provideVPSSMgr();
m_vpssmgr_ptr->initThermo();
initPtrs();
m_mw = m_tp->molecularWeight(m_spindex);
}
void PDSS::initPtrs()
{
AssertThrow(m_vpssmgr_ptr->mPDSS_h0_RT.size() != 0, "PDSS::initPtrs()");
m_h0_RT_ptr = &m_vpssmgr_ptr->mPDSS_h0_RT[0];
m_cp0_R_ptr = &m_vpssmgr_ptr->mPDSS_cp0_R[0];
m_s0_R_ptr = &m_vpssmgr_ptr->mPDSS_s0_R[0];
m_g0_RT_ptr = &m_vpssmgr_ptr->mPDSS_g0_RT[0];
m_V0_ptr = &m_vpssmgr_ptr->mPDSS_V0[0];
m_hss_RT_ptr = &m_vpssmgr_ptr->mPDSS_hss_RT[0];
m_cpss_R_ptr = &m_vpssmgr_ptr->mPDSS_cpss_R[0];
m_sss_R_ptr = &m_vpssmgr_ptr->mPDSS_sss_R[0];
m_gss_RT_ptr = &m_vpssmgr_ptr->mPDSS_gss_RT[0];
m_Vss_ptr = &m_vpssmgr_ptr->mPDSS_Vss[0];
}
doublereal PDSS::enthalpy_mole() const
{
throw NotImplementedError("PDSS::enthalpy_mole()");
@ -307,6 +270,20 @@ doublereal PDSS_Molar::cp_R() const
// PDSS_Nondimensional methods
PDSS_Nondimensional::PDSS_Nondimensional()
: m_h0_RT(0.0)
, m_cp0_R(0.0)
, m_s0_R(0.0)
, m_g0_RT(0.0)
, m_V0(0.0)
, m_hss_RT(0.0)
, m_cpss_R(0.0)
, m_sss_R(0.0)
, m_gss_RT(0.0)
, m_Vss(0.0)
{
}
doublereal PDSS_Nondimensional::enthalpy_mole() const
{
return enthalpy_RT() * GasConstant * temperature();

49
src/thermo/PDSS_ConstVol.cpp
View file

@ -66,97 +66,96 @@ void PDSS_ConstVol::initThermo()
{
PDSS::initThermo();
m_p0 = m_tp->speciesThermo().refPressure(m_spindex);
m_V0_ptr[m_spindex] = m_constMolarVolume;
m_Vss_ptr[m_spindex] = m_constMolarVolume;
m_V0 = m_constMolarVolume;
m_Vss = m_constMolarVolume;
}
doublereal PDSS_ConstVol::enthalpy_RT() const
{
return m_hss_RT_ptr[m_spindex];
return m_hss_RT;
}
doublereal PDSS_ConstVol::intEnergy_mole() const
{
doublereal pV = (m_pres * m_Vss_ptr[m_spindex]);
return m_h0_RT_ptr[m_spindex] * GasConstant * m_temp - pV;
doublereal pV = (m_pres * m_Vss);
return m_h0_RT * GasConstant * m_temp - pV;
}
doublereal PDSS_ConstVol::entropy_R() const
{
return m_sss_R_ptr[m_spindex];
return m_sss_R;
}
doublereal PDSS_ConstVol::gibbs_RT() const
{
return m_gss_RT_ptr[m_spindex];
return m_gss_RT;
}
doublereal PDSS_ConstVol::cp_R() const
{
return m_cpss_R_ptr[m_spindex];
return m_cpss_R;
}
doublereal PDSS_ConstVol::cv_mole() const
{
return (cp_mole() - m_V0_ptr[m_spindex]);
return (cp_mole() - m_V0);
}
doublereal PDSS_ConstVol::molarVolume() const
{
return m_Vss_ptr[m_spindex];
return m_Vss;
}
doublereal PDSS_ConstVol::density() const
{
return m_mw / m_Vss_ptr[m_spindex];
return m_mw / m_Vss;
}
doublereal PDSS_ConstVol::gibbs_RT_ref() const
{
return m_g0_RT_ptr[m_spindex];
return m_g0_RT;
}
doublereal PDSS_ConstVol::enthalpy_RT_ref() const
{
return m_h0_RT_ptr[m_spindex];
return m_h0_RT;
}
doublereal PDSS_ConstVol::entropy_R_ref() const
{
return m_s0_R_ptr[m_spindex];
return m_s0_R;
}
doublereal PDSS_ConstVol::cp_R_ref() const
{
return m_cp0_R_ptr[m_spindex];
return m_cp0_R;
}
doublereal PDSS_ConstVol::molarVolume_ref() const
{
return m_V0_ptr[m_spindex];
return m_V0;
}
void PDSS_ConstVol::setPressure(doublereal p)
{
m_pres = p;
doublereal del_pRT = (m_pres - m_p0) / (GasConstant * m_temp);
m_hss_RT_ptr[m_spindex] = m_h0_RT_ptr[m_spindex] + del_pRT * m_Vss_ptr[m_spindex];
m_gss_RT_ptr[m_spindex] = m_hss_RT_ptr[m_spindex] - m_sss_R_ptr[m_spindex];
m_hss_RT = m_h0_RT + del_pRT * m_Vss;
m_gss_RT = m_hss_RT - m_sss_R;
}
void PDSS_ConstVol::setTemperature(doublereal temp)
{
m_temp = temp;
m_spthermo->update_one(m_spindex, temp,
m_cp0_R_ptr, m_h0_RT_ptr, m_s0_R_ptr);
m_g0_RT_ptr[m_spindex] = m_h0_RT_ptr[m_spindex] - m_s0_R_ptr[m_spindex];
m_spthermo->update_single(m_spindex, temp, &m_cp0_R, &m_h0_RT, &m_s0_R);
m_g0_RT = m_h0_RT - m_s0_R;
doublereal del_pRT = (m_pres - m_p0) / (GasConstant * m_temp);
m_hss_RT_ptr[m_spindex] = m_h0_RT_ptr[m_spindex] + del_pRT * m_Vss_ptr[m_spindex];
m_cpss_R_ptr[m_spindex] = m_cp0_R_ptr[m_spindex];
m_sss_R_ptr[m_spindex] = m_s0_R_ptr[m_spindex];
m_gss_RT_ptr[m_spindex] = m_hss_RT_ptr[m_spindex] - m_sss_R_ptr[m_spindex];
m_hss_RT = m_h0_RT + del_pRT * m_Vss;
m_cpss_R = m_cp0_R;
m_sss_R = m_s0_R;
m_gss_RT = m_hss_RT - m_sss_R;
}
void PDSS_ConstVol::setState_TP(doublereal temp, doublereal pres)

39
src/thermo/PDSS_IdealGas.cpp
View file

@ -45,27 +45,27 @@ void PDSS_IdealGas::initThermo()
doublereal PDSS_IdealGas::enthalpy_RT() const
{
return m_h0_RT_ptr[m_spindex];
return m_h0_RT;
}
doublereal PDSS_IdealGas::intEnergy_mole() const
{
return (m_h0_RT_ptr[m_spindex] - 1.0) * GasConstant * m_temp;
return (m_h0_RT - 1.0) * GasConstant * m_temp;
}
doublereal PDSS_IdealGas::entropy_R() const
{
return m_s0_R_ptr[m_spindex] - log(m_pres/m_p0);
return m_s0_R - log(m_pres/m_p0);
}
doublereal PDSS_IdealGas::gibbs_RT() const
{
return m_g0_RT_ptr[m_spindex] + log(m_pres/m_p0);
return m_g0_RT + log(m_pres/m_p0);
}
doublereal PDSS_IdealGas::cp_R() const
{
return m_cp0_R_ptr[m_spindex];
return m_cp0_R;
}
doublereal PDSS_IdealGas::molarVolume() const
@ -85,17 +85,17 @@ doublereal PDSS_IdealGas::cv_mole() const
doublereal PDSS_IdealGas::gibbs_RT_ref() const
{
return m_g0_RT_ptr[m_spindex];
return m_g0_RT;
}
doublereal PDSS_IdealGas::enthalpy_RT_ref() const
{
return m_h0_RT_ptr[m_spindex];
return m_h0_RT;
}
doublereal PDSS_IdealGas::entropy_R_ref() const
{
return m_s0_R_ptr[m_spindex];
return m_s0_R;
}
doublereal PDSS_IdealGas::cp_R_ref() const
@ -115,9 +115,9 @@ doublereal PDSS_IdealGas::pressure() const
void PDSS_IdealGas::setPressure(doublereal p)
{
m_sss_R_ptr[m_spindex] = m_s0_R_ptr[m_spindex] + log(m_pres/m_p0);
m_gss_RT_ptr[m_spindex] = m_hss_RT_ptr[m_spindex] - m_sss_R_ptr[m_spindex];
m_Vss_ptr[m_spindex] = GasConstant * m_temp / m_pres;
m_sss_R = m_s0_R + log(m_pres/m_p0);
m_gss_RT = m_hss_RT - m_sss_R;
m_Vss = GasConstant * m_temp / m_pres;
}
doublereal PDSS_IdealGas::temperature() const
@ -129,15 +129,14 @@ doublereal PDSS_IdealGas::temperature() const
void PDSS_IdealGas::setTemperature(doublereal temp)
{
m_temp = temp;
m_spthermo->update_one(m_spindex, temp,
m_cp0_R_ptr, m_h0_RT_ptr, m_s0_R_ptr);
m_g0_RT_ptr[m_spindex] = m_h0_RT_ptr[m_spindex] - m_s0_R_ptr[m_spindex];
m_V0_ptr[m_spindex] = GasConstant * m_temp / m_p0;
m_hss_RT_ptr[m_spindex] = m_h0_RT_ptr[m_spindex];
m_cpss_R_ptr[m_spindex] = m_cp0_R_ptr[m_spindex];
m_sss_R_ptr[m_spindex] = m_s0_R_ptr[m_spindex] + log(m_pres/m_p0);
m_gss_RT_ptr[m_spindex] = m_hss_RT_ptr[m_spindex] - m_sss_R_ptr[m_spindex];
m_Vss_ptr[m_spindex] = GasConstant * m_temp / m_pres;
m_spthermo->update_single(m_spindex, temp, &m_cp0_R, &m_h0_RT, &m_s0_R);
m_g0_RT = m_h0_RT - m_s0_R;
m_V0 = GasConstant * m_temp / m_p0;
m_hss_RT = m_h0_RT;
m_cpss_R = m_cp0_R;
m_sss_R = m_s0_R + log(m_pres/m_p0);
m_gss_RT = m_hss_RT - m_sss_R;
m_Vss = GasConstant * m_temp / m_pres;
}
void PDSS_IdealGas::setState_TP(doublereal temp, doublereal pres)

2
src/thermo/PDSS_IonsFromNeutral.cpp
View file

@ -112,7 +112,7 @@ doublereal PDSS_IonsFromNeutral::enthalpy_RT() const
doublereal PDSS_IonsFromNeutral::intEnergy_mole() const
{
return (m_h0_RT_ptr[m_spindex] - 1.0) * GasConstant * m_temp;
return (m_h0_RT - 1.0) * GasConstant * m_temp;
}
doublereal PDSS_IonsFromNeutral::entropy_R() const

76
src/thermo/PDSS_SSVol.cpp
View file

@ -89,87 +89,87 @@ void PDSS_SSVol::initThermo()
{
PDSS::initThermo();
m_p0 = m_tp->speciesThermo().refPressure(m_spindex);
m_V0_ptr[m_spindex] = m_constMolarVolume;
m_Vss_ptr[m_spindex] = m_constMolarVolume;
m_V0 = m_constMolarVolume;
m_Vss = m_constMolarVolume;
}
doublereal PDSS_SSVol::enthalpy_RT() const
{
return m_hss_RT_ptr[m_spindex];
return m_hss_RT;
}
doublereal PDSS_SSVol::intEnergy_mole() const
{
doublereal pV = m_pres * m_Vss_ptr[m_spindex];
return m_h0_RT_ptr[m_spindex] * GasConstant * m_temp - pV;
doublereal pV = m_pres * m_Vss;
return m_h0_RT * GasConstant * m_temp - pV;
}
doublereal PDSS_SSVol::entropy_R() const
{
return m_sss_R_ptr[m_spindex];
return m_sss_R;
}
doublereal PDSS_SSVol::gibbs_RT() const
{
return m_gss_RT_ptr[m_spindex];
return m_gss_RT;
}
doublereal PDSS_SSVol::cp_R() const
{
return m_cpss_R_ptr[m_spindex];
return m_cpss_R;
}
doublereal PDSS_SSVol::cv_mole() const
{
return (cp_mole() - m_V0_ptr[m_spindex]);
return (cp_mole() - m_V0);
}
doublereal PDSS_SSVol::molarVolume() const
{
return m_Vss_ptr[m_spindex];
return m_Vss;
}
doublereal PDSS_SSVol::density() const
{
return m_mw / m_Vss_ptr[m_spindex];
return m_mw / m_Vss;
}
doublereal PDSS_SSVol::gibbs_RT_ref() const
{
return m_g0_RT_ptr[m_spindex];
return m_g0_RT;
}
doublereal PDSS_SSVol::enthalpy_RT_ref() const
{
return m_h0_RT_ptr[m_spindex];
return m_h0_RT;
}
doublereal PDSS_SSVol::entropy_R_ref() const
{
return m_s0_R_ptr[m_spindex];
return m_s0_R;
}
doublereal PDSS_SSVol::cp_R_ref() const
{
return m_cp0_R_ptr[m_spindex];
return m_cp0_R;
}
doublereal PDSS_SSVol::molarVolume_ref() const
{
return m_V0_ptr[m_spindex];
return m_V0;
}
void PDSS_SSVol::calcMolarVolume() const
void PDSS_SSVol::calcMolarVolume()
{
if (volumeModel_ == SSVolume_Model::constant) {
m_Vss_ptr[m_spindex] = m_constMolarVolume;
m_Vss = m_constMolarVolume;
} else if (volumeModel_ == SSVolume_Model::tpoly) {
m_Vss_ptr[m_spindex] = TCoeff_[0] + m_temp * (TCoeff_[1] + m_temp * (TCoeff_[2] + m_temp * TCoeff_[3]));
m_Vss = TCoeff_[0] + m_temp * (TCoeff_[1] + m_temp * (TCoeff_[2] + m_temp * TCoeff_[3]));
dVdT_ = TCoeff_[1] + 2.0 * m_temp * TCoeff_[2] + 3.0 * m_temp * m_temp * TCoeff_[3];
d2VdT2_ = 2.0 * TCoeff_[2] + 6.0 * m_temp * TCoeff_[3];
} else if (volumeModel_ == SSVolume_Model::density_tpoly) {
doublereal dens = TCoeff_[0] + m_temp * (TCoeff_[1] + m_temp * (TCoeff_[2] + m_temp * TCoeff_[3]));
m_Vss_ptr[m_spindex] = m_mw / dens;
m_Vss = m_mw / dens;
doublereal dens2 = dens * dens;
doublereal ddensdT = TCoeff_[1] + 2.0 * m_temp * TCoeff_[2] + 3.0 * m_temp * m_temp * TCoeff_[3];
doublereal d2densdT2 = 2.0 * TCoeff_[2] + 6.0 * m_temp * TCoeff_[3];
@ -185,39 +185,39 @@ void PDSS_SSVol::setPressure(doublereal p)
m_pres = p;
doublereal deltaP = m_pres - m_p0;
if (fabs(deltaP) < 1.0E-10) {
m_hss_RT_ptr[m_spindex] = m_h0_RT_ptr[m_spindex];
m_sss_R_ptr[m_spindex] = m_s0_R_ptr[m_spindex];
m_gss_RT_ptr[m_spindex] = m_hss_RT_ptr[m_spindex] - m_sss_R_ptr[m_spindex];
m_cpss_R_ptr[m_spindex] = m_cp0_R_ptr[m_spindex];
m_hss_RT = m_h0_RT;
m_sss_R = m_s0_R;
m_gss_RT = m_hss_RT - m_sss_R;
m_cpss_R = m_cp0_R;
} else {
doublereal del_pRT = deltaP / (GasConstant * m_temp);
doublereal sV_term = - deltaP / GasConstant * dVdT_;
m_hss_RT_ptr[m_spindex] = m_h0_RT_ptr[m_spindex] + sV_term + del_pRT * m_Vss_ptr[m_spindex];
m_sss_R_ptr[m_spindex] = m_s0_R_ptr[m_spindex] + sV_term;
m_gss_RT_ptr[m_spindex] = m_hss_RT_ptr[m_spindex] - m_sss_R_ptr[m_spindex];
m_cpss_R_ptr[m_spindex] = m_cp0_R_ptr[m_spindex] - m_temp * deltaP * d2VdT2_;
m_hss_RT = m_h0_RT + sV_term + del_pRT * m_Vss;
m_sss_R = m_s0_R + sV_term;
m_gss_RT = m_hss_RT - m_sss_R;
m_cpss_R = m_cp0_R - m_temp * deltaP * d2VdT2_;
}
}
void PDSS_SSVol::setTemperature(doublereal temp)
{
m_temp = temp;
m_spthermo->update_one(m_spindex, temp, m_cp0_R_ptr, m_h0_RT_ptr, m_s0_R_ptr);
m_spthermo->update_single(m_spindex, temp, &m_cp0_R, &m_h0_RT, &m_s0_R);
calcMolarVolume();
m_g0_RT_ptr[m_spindex] = m_h0_RT_ptr[m_spindex] - m_s0_R_ptr[m_spindex];
m_g0_RT = m_h0_RT - m_s0_R;
doublereal deltaP = m_pres - m_p0;
if (fabs(deltaP) < 1.0E-10) {
m_hss_RT_ptr[m_spindex] = m_h0_RT_ptr[m_spindex];
m_sss_R_ptr[m_spindex] = m_s0_R_ptr[m_spindex];
m_gss_RT_ptr[m_spindex] = m_hss_RT_ptr[m_spindex] - m_sss_R_ptr[m_spindex];
m_cpss_R_ptr[m_spindex] = m_cp0_R_ptr[m_spindex];
m_hss_RT = m_h0_RT;
m_sss_R = m_s0_R;
m_gss_RT = m_hss_RT - m_sss_R;
m_cpss_R = m_cp0_R;
} else {
doublereal del_pRT = deltaP / (GasConstant * m_temp);
doublereal sV_term = - deltaP / GasConstant * dVdT_;
m_hss_RT_ptr[m_spindex] = m_h0_RT_ptr[m_spindex] + sV_term + del_pRT * m_Vss_ptr[m_spindex];
m_sss_R_ptr[m_spindex] = m_s0_R_ptr[m_spindex] + sV_term;
m_gss_RT_ptr[m_spindex] = m_hss_RT_ptr[m_spindex] - m_sss_R_ptr[m_spindex];
m_cpss_R_ptr[m_spindex] = m_cp0_R_ptr[m_spindex] - m_temp * deltaP * d2VdT2_;
m_hss_RT = m_h0_RT + sV_term + del_pRT * m_Vss;
m_sss_R = m_s0_R + sV_term;
m_gss_RT = m_hss_RT - m_sss_R;
m_cpss_R = m_cp0_R - m_temp * deltaP * d2VdT2_;
}
}

2
src/thermo/PureFluidPhase.cpp
View file

@ -55,7 +55,7 @@ void PureFluidPhase::initThermo()
p = 0.001 * p;
m_sub->Set(tpx::PropertyPair::TP, T0, p);
m_spthermo->update_one(0, T0, &cp0_R, &h0_RT, &s0_R);
m_spthermo->update_single(0, T0, &cp0_R, &h0_RT, &s0_R);
double s_R = s0_R - log(p/refPressure());
m_sub->setStdState(h0_RT*GasConstant*298.15/m_mw,
s_R*GasConstant/m_mw, T0, p);

12
src/thermo/VPSSMgr.cpp
View file

@ -249,18 +249,6 @@ void VPSSMgr::initLengths()
m_gss_RT.resize(m_kk, 0.0);
m_sss_R.resize(m_kk, 0.0);
m_Vss.resize(m_kk, 0.0);
// Storage used by the PDSS objects to store their answers.
mPDSS_h0_RT.resize(m_kk, 0.0);
mPDSS_cp0_R.resize(m_kk, 0.0);
mPDSS_g0_RT.resize(m_kk, 0.0);
mPDSS_s0_R.resize(m_kk, 0.0);
mPDSS_V0.resize(m_kk, 0.0);
mPDSS_hss_RT.resize(m_kk, 0.0);
mPDSS_cpss_R.resize(m_kk, 0.0);
mPDSS_gss_RT.resize(m_kk, 0.0);
mPDSS_sss_R.resize(m_kk, 0.0);
mPDSS_Vss.resize(m_kk, 0.0);
}
void VPSSMgr::initThermoXML(XML_Node& phaseNode, const std::string& id)