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[Thermo] Remove redundant versions of intEnergy_mole and gibbs_mole

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Ray Speth 2014-03-27 01:29:13 +00:00
parent 5b77bbb719
commit f1066aa072
20 changed files with 0 additions and 211 deletions
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6
include/cantera/thermo/ConstDensityThermo.h
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@ -60,15 +60,9 @@ public:
/// Molar enthalpy. Units: J/kmol.
virtual doublereal enthalpy_mole() const;
/// Molar internal energy. Units: J/kmol.
virtual doublereal intEnergy_mole() const;
/// Molar entropy. Units: J/kmol/K.
virtual doublereal entropy_mole() const;
/// Molar Gibbs function. Units: J/kmol.
virtual doublereal gibbs_mole() const;
/// Molar heat capacity at constant pressure. Units: J/kmol/K.
virtual doublereal cp_mole() const;

3
include/cantera/thermo/DebyeHuckel.h
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@ -654,9 +654,6 @@ public:
/// Molar enthalpy of the solution. Units: J/kmol.
virtual doublereal enthalpy_mole() const;
/// Molar internal energy of the solution. Units: J/kmol.
virtual doublereal intEnergy_mole() const;
/// Molar entropy. Units: J/kmol/K.
/**
* For an ideal, constant partial molar volume solution mixture with

7
include/cantera/thermo/HMWSoln.h
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@ -1389,13 +1389,6 @@ public:
*/
virtual doublereal relative_molal_enthalpy() const;
/// Molar internal energy. Units: J/kmol.
/**
* Molar internal energy of the solution. Units: J/kmol.
* (HKM -> Bump up to Parent object)
*/
virtual doublereal intEnergy_mole() const;
/// Molar entropy. Units: J/kmol/K.
/**
* Molar entropy of the solution. Units: J/kmol/K.

19
include/cantera/thermo/IdealGasPhase.h
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@ -387,19 +387,6 @@ public:
return GasConstant * temperature() * mean_X(&enthalpy_RT_ref()[0]);
}
/**
* 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
*/
virtual doublereal intEnergy_mole() const;
/**
* Molar entropy. Units: J/kmol/K.
* For an ideal gas mixture,
@ -413,12 +400,6 @@ public:
*/
virtual doublereal entropy_mole() const;
/**
* Molar Gibbs free Energy for an ideal gas.
* Units = J/kmol.
*/
virtual doublereal gibbs_mole() const;
/**
* Molar heat capacity at constant pressure. Units: J/kmol/K.
* For an ideal gas mixture,

17
include/cantera/thermo/IdealSolidSolnPhase.h
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@ -133,23 +133,6 @@ public:
*/
virtual doublereal enthalpy_mole() const;
/**
* Molar internal energy of the solution. Units: J/kmol.
* For an ideal, constant partial molar volume solution mixture with
* pure species phases which exhibit zero volume expansivity and
* zero isothermal compressibility:
* \f[
* \hat u(T,X) = \hat h(T,P,X) - p \hat V
* = \sum_k X_k \hat h^0_k(T) - P_{ref} (\sum_k{X_k \hat V^0_k})
* \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
*/
virtual doublereal intEnergy_mole() const;
/**
* Molar entropy of the solution. Units: J/kmol/K.
* For an ideal, constant partial molar volume solution mixture with

6
include/cantera/thermo/IdealSolnGasVPSS.h
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@ -81,15 +81,9 @@ public:
/// Molar enthalpy. Units: J/kmol.
doublereal enthalpy_mole() const;
/// Molar internal energy. Units: J/kmol.
doublereal intEnergy_mole() const;
/// Molar entropy. Units: J/kmol/K.
doublereal entropy_mole() const;
/// Molar Gibbs function. Units: J/kmol.
doublereal gibbs_mole() const;
/// Molar heat capacity at constant pressure. Units: J/kmol/K.
doublereal cp_mole() const;

8
include/cantera/thermo/IonsFromNeutralVPSSTP.h
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@ -218,14 +218,6 @@ public:
*/
virtual doublereal enthalpy_mole() const;
/**
* Molar internal energy. J/kmol.
*
* This is calculated from the soln enthalpy and then
* subtracting pV.
*/
virtual doublereal intEnergy_mole() const;
//! Molar entropy. Units: J/kmol/K.
virtual doublereal entropy_mole() const;

35
include/cantera/thermo/LatticePhase.h
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@ -308,25 +308,6 @@ public:
*/
virtual doublereal enthalpy_mole() const;
//! Molar internal energy of the solution. Units: J/kmol.
/*!
* For an ideal, constant partial molar volume solution mixture with
* pure species phases which exhibit zero volume expansivity and
* zero isothermal compressibility:
*
* \f[
* \hat u(T,X) = \hat h(T,P,X) - p \hat V
* = \sum_k X_k \hat h^0_k(T) - P_{ref} (\sum_k{X_k \hat V^0_k})
* \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
*/
virtual doublereal intEnergy_mole() const;
//! Molar entropy of the solution. Units: J/kmol/K
/*!
* For an ideal, constant partial molar volume solution mixture with
@ -345,22 +326,6 @@ public:
*/
virtual doublereal entropy_mole() const;
//! Molar gibbs free energy of the solution. Units: J/kmol.
/*!
* For an ideal, constant partial molar volume solution mixture with
* pure species phases which exhibit zero volume expansivity:
* \f[
* \hat g(T, P) = \sum_k X_k \hat g^0_k(T,P) + \hat R T \sum_k X_k log(X_k)
* \f]
* The reference-state pure-species gibbs free energies
* \f$ \hat g^0_k(T) \f$ are computed by the species thermodynamic
* property manager, while the standard state gibbs free energies
* \f$ \hat g^0_k(T,P) \f$ are computed by the member function, gibbs_RT().
*
* @see SpeciesThermo
*/
virtual doublereal gibbs_mole() const;
//! Molar heat capacity at constant pressure of the solution.
//! Units: J/kmol/K.
/*!

6
include/cantera/thermo/RedlichKwongMFTP.h
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@ -110,15 +110,9 @@ public:
/// Molar enthalpy. Units: J/kmol.
virtual doublereal enthalpy_mole() const;
/// Molar internal energy. Units: J/kmol.
virtual doublereal intEnergy_mole() const;
/// Molar entropy. Units: J/kmol/K.
virtual doublereal entropy_mole() const;
/// Molar Gibbs function. Units: J/kmol.
virtual doublereal gibbs_mole() const;
/// Molar heat capacity at constant pressure. Units: J/kmol/K.
virtual doublereal cp_mole() const;

6
include/cantera/thermo/StoichSubstance.h
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@ -97,12 +97,6 @@ public:
*/
virtual doublereal entropy_mole() const;
/**
* Molar gibbs Function. Units: J/kmol. This is determined
* from the molar enthalpy and entropy functions.
*/
virtual doublereal gibbs_mole() const;
/**
* Molar heat capacity at constant pressure. Units: J/kmol/K.
* For an incompressible substance, \f$ \hat c_p = \hat c_v\f$.

13
src/thermo/ConstDensityThermo.cpp
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@ -60,25 +60,12 @@ doublereal ConstDensityThermo::enthalpy_mole() const
+ (pressure() - p0)/molarDensity();
}
doublereal ConstDensityThermo::intEnergy_mole() const
{
doublereal p0 = m_spthermo->refPressure();
return GasConstant * temperature() *
mean_X(&enthalpy_RT()[0])
- p0/molarDensity();
}
doublereal ConstDensityThermo::entropy_mole() const
{
return GasConstant * (mean_X(&entropy_R()[0]) -
sum_xlogx());
}
doublereal ConstDensityThermo::gibbs_mole() const
{
return enthalpy_mole() - temperature() * entropy_mole();
}
doublereal ConstDensityThermo::cp_mole() const
{
return GasConstant * mean_X(&cp_R()[0]);

9
src/thermo/DebyeHuckel.cpp
View file

@ -199,15 +199,6 @@ doublereal DebyeHuckel::enthalpy_mole() const
return mean_X(DATA_PTR(m_tmpV));
}
doublereal DebyeHuckel::intEnergy_mole() const
{
// This is calculated from the soln enthalpy and then subtracting pV.
double hh = enthalpy_mole();
double pres = pressure();
double molarV = 1.0/molarDensity();
return hh - pres * molarV;
}
doublereal DebyeHuckel::entropy_mole() const
{
getPartialMolarEntropies(DATA_PTR(m_tmpV));

8
src/thermo/HMWSoln.cpp
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@ -628,14 +628,6 @@ doublereal HMWSoln::relative_molal_enthalpy() const
return L / xuse;
}
doublereal HMWSoln::intEnergy_mole() const
{
double hh = enthalpy_mole();
double pres = pressure();
double molarV = 1.0/molarDensity();
return hh - pres * molarV;
}
doublereal HMWSoln::entropy_mole() const
{
getPartialMolarEntropies(DATA_PTR(m_tmpV));

10
src/thermo/IdealGasPhase.cpp
View file

@ -69,21 +69,11 @@ ThermoPhase* IdealGasPhase::duplMyselfAsThermoPhase() const
// Molar Thermodynamic Properties of the Solution ------------------
doublereal IdealGasPhase::intEnergy_mole() const
{
return GasConstant * temperature() * (mean_X(&enthalpy_RT_ref()[0]) - 1.0);
}
doublereal IdealGasPhase::entropy_mole() const
{
return GasConstant * (mean_X(&entropy_R_ref()[0]) - sum_xlogx() - std::log(pressure() / m_spthermo->refPressure()));
}
doublereal IdealGasPhase::gibbs_mole() const
{
return enthalpy_mole() - temperature() * entropy_mole();
}
doublereal IdealGasPhase::cp_mole() const
{
return GasConstant * mean_X(&cp_R_ref()[0]);

8
src/thermo/IdealSolidSolnPhase.cpp
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@ -119,14 +119,6 @@ doublereal IdealSolidSolnPhase::enthalpy_mole() const
return htp + (pressure() - m_Pref)/molarDensity();
}
doublereal IdealSolidSolnPhase::intEnergy_mole() const
{
const double* eptr = DATA_PTR(enthalpy_RT_ref().begin());
doublereal htp = (GasConstant * temperature() *
mean_X(eptr));
return htp - m_Pref / molarDensity();
}
doublereal IdealSolidSolnPhase::entropy_mole() const
{
const double* dptr = DATA_PTR(entropy_R_ref());

12
src/thermo/IdealSolnGasVPSS.cpp
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@ -98,13 +98,6 @@ doublereal IdealSolnGasVPSS::enthalpy_mole() const
mean_X(DATA_PTR(enth_RT)));
}
doublereal IdealSolnGasVPSS::intEnergy_mole() const
{
doublereal p0 = pressure();
doublereal md = molarDensity();
return enthalpy_mole() - p0 / md;
}
doublereal IdealSolnGasVPSS::entropy_mole() const
{
updateStandardStateThermo();
@ -113,11 +106,6 @@ doublereal IdealSolnGasVPSS::entropy_mole() const
}
doublereal IdealSolnGasVPSS::gibbs_mole() const
{
return enthalpy_mole() - temperature() * entropy_mole();
}
doublereal IdealSolnGasVPSS::cp_mole() const
{
updateStandardStateThermo();

8
src/thermo/IonsFromNeutralVPSSTP.cpp
View file

@ -314,14 +314,6 @@ doublereal IonsFromNeutralVPSSTP::enthalpy_mole() const
return mean_X(DATA_PTR(m_pp));
}
doublereal IonsFromNeutralVPSSTP::intEnergy_mole() const
{
double hh = enthalpy_mole();
double pres = pressure();
double molarV = 1.0/molarDensity();
return hh - pres * molarV;
}
doublereal IonsFromNeutralVPSSTP::entropy_mole() const
{
getPartialMolarEntropies(DATA_PTR(m_pp));

13
src/thermo/LatticePhase.cpp
View file

@ -75,25 +75,12 @@ doublereal LatticePhase::enthalpy_mole() const
+ (pressure() - p0)/molarDensity();
}
doublereal LatticePhase::intEnergy_mole() const
{
doublereal p0 = m_spthermo->refPressure();
return GasConstant * temperature() *
mean_X(&enthalpy_RT_ref()[0])
- p0/molarDensity();
}
doublereal LatticePhase::entropy_mole() const
{
return GasConstant * (mean_X(&entropy_R_ref()[0]) -
sum_xlogx());
}
doublereal LatticePhase::gibbs_mole() const
{
return enthalpy_mole() - temperature() * entropy_mole();
}
doublereal LatticePhase::cp_mole() const
{
return GasConstant * mean_X(&cp_R_ref()[0]);

12
src/thermo/RedlichKwongMFTP.cpp
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@ -239,13 +239,6 @@ doublereal RedlichKwongMFTP::enthalpy_mole() const
return h_ideal + h_nonideal;
}
doublereal RedlichKwongMFTP::intEnergy_mole() const
{
doublereal p0 = pressure();
doublereal md = molarDensity();
return enthalpy_mole() - p0 / md;
}
doublereal RedlichKwongMFTP::entropy_mole() const
{
_updateReferenceStateThermo();
@ -255,11 +248,6 @@ doublereal RedlichKwongMFTP::entropy_mole() const
return sr_ideal + sr_nonideal;
}
doublereal RedlichKwongMFTP::gibbs_mole() const
{
return enthalpy_mole() - temperature() * entropy_mole();
}
doublereal RedlichKwongMFTP::cp_mole() const
{
_updateReferenceStateThermo();

5
src/thermo/StoichSubstance.cpp
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@ -62,11 +62,6 @@ doublereal StoichSubstance::entropy_mole() const
return GasConstant * m_s0_R[0];
}
doublereal StoichSubstance::gibbs_mole() const
{
return enthalpy_mole() - temperature() * entropy_mole();
}
doublereal StoichSubstance::cp_mole() const
{
_updateThermo();