Pure Virtual Base class for the thermodynamic manager for an individual species' reference state. More...

#include <SpeciesThermoInterpType.h>

Inheritance diagram for SpeciesThermoInterpType:

Public Member Functions
	SpeciesThermoInterpType (size_t n, doublereal tlow, doublereal thigh, doublereal pref)

	SpeciesThermoInterpType (double tlow, double thigh, double pref)

	SpeciesThermoInterpType (const SpeciesThermoInterpType &b)

virtual SpeciesThermoInterpType *	duplMyselfAsSpeciesThermoInterpType () const =0

virtual doublereal	minTemp () const
	Returns the minimum temperature that the thermo parameterization is valid. More...

virtual doublereal	maxTemp () const
	Returns the maximum temperature that the thermo parameterization is valid. More...

virtual doublereal	refPressure () const
	Returns the reference pressure (Pa) More...

virtual void	validate (const std::string &name)
	Check for problems with the parameterization, and generate warnings or throw and exception if any are found. More...

virtual int	reportType () const =0
	Returns an integer representing the type of parameterization. More...

virtual size_t	speciesIndex () const
	Returns an integer representing the species index. More...

virtual void	setIndex (size_t index)

virtual size_t	temperaturePolySize () const
	Number of terms in the temperature polynomial for this parameterization. More...

virtual void	updateTemperaturePoly (double T, double *T_poly) const
	Given the temperature T, compute the terms of the temperature polynomial T_poly. More...

virtual void	updateProperties (const doublereal tempPoly, doublereal cp_R, doublereal h_RT, doublereal s_R) const
	Update the properties for this species, given a temperature polynomial. More...

virtual void	updatePropertiesTemp (const doublereal temp, doublereal cp_R, doublereal h_RT, doublereal *s_R) const =0
	Compute the reference-state property of one species. More...

virtual void	reportParameters (size_t &index, int &type, doublereal &minTemp, doublereal &maxTemp, doublereal &refPressure, doublereal *const coeffs) const =0
	This utility function reports back the type of parameterization and all of the parameters for the species, index. More...

virtual void	modifyParameters (doublereal *coeffs)
	Modify parameters for the standard state. More...

virtual doublereal	reportHf298 (doublereal *const h298=0) const
	Report the 298 K Heat of Formation of the standard state of one species (J kmol-1) More...

virtual void	modifyOneHf298 (const size_t k, const doublereal Hf298New)
	Modify the value of the 298 K Heat of Formation of one species in the phase (J kmol-1) More...

Protected Attributes
doublereal	m_lowT
	lowest valid temperature More...

doublereal	m_highT
	Highest valid temperature. More...

doublereal	m_Pref
	Reference state pressure. More...

size_t	m_index
	species index More...

Detailed Description

Pure Virtual Base class for the thermodynamic manager for an individual species' reference state.

This differs from the SpeciesThermo virtual base class in the sense that this class is meant to handle only one species. The speciesThermo class is meant to handle the calculation of all the species (or a large subset) in a phase.

One key feature is that the update routines use the same form as the update routines in the speciesThermo class. They update into a vector of cp_R, s_R, and H_R that spans all of the species in a phase. Therefore, this class must carry along a species index into that vector.

These routine may be templated. A key requirement of the template is that there is a constructor with the following form:

SpeciesThermoInterpType(int index, doublereal tlow, doublereal thigh,

doublereal pref, const doublereal* coeffs)

Definition at line 158 of file SpeciesThermoInterpType.h.

Constructor & Destructor Documentation

SpeciesThermoInterpType	(	size_t	n,
		doublereal	tlow,
		doublereal	thigh,
		doublereal	pref
	)

Deprecated:: Use the constructor without the species index. To be removed after Cantera 2.2.

Definition at line 22 of file SpeciesThermoInterpType.cpp.

References Cantera::warn_deprecated().

Member Function Documentation

virtual doublereal minTemp ( ) const

inlinevirtual

Returns the minimum temperature that the thermo parameterization is valid.

Reimplemented in STITbyPDSS.

Definition at line 179 of file SpeciesThermoInterpType.h.

References SpeciesThermoInterpType::m_lowT.

Referenced by GeneralSpeciesThermo::minTemp().

virtual doublereal maxTemp ( ) const

inlinevirtual

Returns the maximum temperature that the thermo parameterization is valid.

Reimplemented in STITbyPDSS.

Definition at line 185 of file SpeciesThermoInterpType.h.

References SpeciesThermoInterpType::m_highT.

Referenced by GeneralSpeciesThermo::maxTemp(), NasaThermo::modifyOneHf298(), ShomateThermo::modifyOneHf298(), Nasa9PolyMultiTempRegion::Nasa9PolyMultiTempRegion(), NasaThermo::reportOneHf298(), ShomateThermo::reportOneHf298(), NasaThermo::reportParams(), ShomateThermo::reportParams(), and NasaThermo::update_one().

virtual doublereal refPressure ( ) const

inlinevirtual

Returns the reference pressure (Pa)

Reimplemented in STITbyPDSS.

Definition at line 190 of file SpeciesThermoInterpType.h.

References SpeciesThermoInterpType::m_Pref.

Referenced by Nasa9PolyMultiTempRegion::Nasa9PolyMultiTempRegion(), and GeneralSpeciesThermo::refPressure().

virtual void validate ( const std::string & name )

inlinevirtual

Check for problems with the parameterization, and generate warnings or throw and exception if any are found.

Reimplemented in NasaPoly2.

Definition at line 196 of file SpeciesThermoInterpType.h.

virtual int reportType ( ) const

pure virtual

Returns an integer representing the type of parameterization.

Implemented in STITbyPDSS, ShomatePoly2, Mu0Poly, ShomatePoly, NasaPoly2, NasaPoly1, Nasa9Poly1, ConstCpPoly, Adsorbate, Nasa9PolyMultiTempRegion, and StatMech.

Referenced by GeneralSpeciesThermo::reportType().

virtual size_t speciesIndex ( ) const

inlinevirtual

Returns an integer representing the species index.

Deprecated:

Definition at line 203 of file SpeciesThermoInterpType.h.

References SpeciesThermoInterpType::m_index.

Referenced by Nasa9PolyMultiTempRegion::Nasa9PolyMultiTempRegion(), and NasaPoly2::validate().

virtual void setIndex ( size_t index )

inlinevirtual

Deprecated:

Reimplemented in ShomatePoly2, NasaPoly2, and Nasa9PolyMultiTempRegion.

Definition at line 208 of file SpeciesThermoInterpType.h.

References SpeciesThermoInterpType::m_index.

Referenced by Nasa9PolyMultiTempRegion::setIndex(), NasaPoly2::setIndex(), and ShomatePoly2::setIndex().

virtual size_t temperaturePolySize ( ) const

inlinevirtual

Number of terms in the temperature polynomial for this parameterization.

Reimplemented in ShomatePoly2, ShomatePoly, NasaPoly2, NasaPoly1, Nasa9Poly1, and Nasa9PolyMultiTempRegion.

Definition at line 213 of file SpeciesThermoInterpType.h.

virtual void updateTemperaturePoly	(	double	T,
		double *	T_poly
	)		const

inlinevirtual

Given the temperature T, compute the terms of the temperature polynomial T_poly.

Reimplemented in ShomatePoly2, ShomatePoly, NasaPoly2, NasaPoly1, Nasa9Poly1, and Nasa9PolyMultiTempRegion.

Definition at line 217 of file SpeciesThermoInterpType.h.

void updateProperties	(	const doublereal *	tempPoly,
		doublereal *	cp_R,
		doublereal *	h_RT,
		doublereal *	s_R
	)		const

virtual

Update the properties for this species, given a temperature polynomial.

This method is called with a pointer to an array containing the functions of temperature needed by this parameterization, and three pointers to arrays where the computed property values should be written. This method updates only one value in each array.

The form and length of the Temperature Polynomial may vary depending on the parameterization.

Parameters

tempPoly	vector of temperature polynomials
cp_R	Vector of Dimensionless heat capacities. (length m_kk).
h_RT	Vector of Dimensionless enthalpies. (length m_kk).
s_R	Vector of Dimensionless entropies. (length m_kk).

Reimplemented in ShomatePoly2, STITbyPDSS, ShomatePoly, NasaPoly2, Mu0Poly, NasaPoly1, Nasa9Poly1, ConstCpPoly, Nasa9PolyMultiTempRegion, and StatMech.

Definition at line 54 of file SpeciesThermoInterpType.cpp.

References SpeciesThermoInterpType::updatePropertiesTemp().

virtual void updatePropertiesTemp	(	const doublereal	temp,
		doublereal *	cp_R,
		doublereal *	h_RT,
		doublereal *	s_R
	)		const

pure virtual

Compute the reference-state property of one species.

Given temperature T in K, this method updates the values of the non-dimensional heat capacity at constant pressure, enthalpy, and entropy, at the reference pressure, Pref of one of the species. The species index is used to reference into the cp_R, h_RT, and s_R arrays.

Parameters

temp	Temperature (Kelvin)
cp_R	Vector of Dimensionless heat capacities. (length m_kk).
h_RT	Vector of Dimensionless enthalpies. (length m_kk).
s_R	Vector of Dimensionless entropies. (length m_kk).

Implemented in ShomatePoly2, STITbyPDSS, ShomatePoly, NasaPoly1, NasaPoly2, Mu0Poly, Nasa9Poly1, Nasa9PolyMultiTempRegion, ConstCpPoly, StatMech, and Adsorbate.

Referenced by GeneralSpeciesThermo::update_one(), and SpeciesThermoInterpType::updateProperties().

virtual void reportParameters	(	size_t &	index,
		int &	type,
		doublereal &	minTemp,
		doublereal &	maxTemp,
		doublereal &	refPressure,
		doublereal *const	coeffs
	)		const

pure virtual

This utility function reports back the type of parameterization and all of the parameters for the species, index.

All parameters are output variables

Parameters

index	Species index
type	Integer type of the standard type
minTemp	output - Minimum temperature
maxTemp	output - Maximum temperature
refPressure	output - reference pressure (Pa).
coeffs	Vector of coefficients used to set the parameters for the standard state.

Implemented in ShomatePoly2, STITbyPDSS, ShomatePoly, Nasa9Poly1, NasaPoly1, NasaPoly2, Mu0Poly, Nasa9PolyMultiTempRegion, StatMech, ConstCpPoly, and Adsorbate.

Referenced by GeneralSpeciesThermo::reportParams().

virtual void modifyParameters ( doublereal * coeffs )

inlinevirtual

Modify parameters for the standard state.

Parameters

coeffs Vector of coefficients used to set the parameters for the standard state.

Reimplemented in ShomatePoly2, STITbyPDSS, ShomatePoly, NasaPoly1, Nasa9Poly1, Mu0Poly, Nasa9PolyMultiTempRegion, StatMech, and ConstCpPoly.

Definition at line 282 of file SpeciesThermoInterpType.h.

doublereal reportHf298 ( doublereal *const h298 = 0 ) const

virtual

Report the 298 K Heat of Formation of the standard state of one species (J kmol-1)

The 298K Heat of Formation is defined as the enthalpy change to create the standard state of the species from its constituent elements in their standard states at 298 K and 1 bar.

Parameters

h298	If this is nonnull, the current value of the Heat of Formation at 298K and 1 bar for species m_speciesIndex is returned in h298[m_speciesIndex].

Returns: Returns the current value of the Heat of Formation at 298K and 1 bar for species m_speciesIndex.

Reimplemented in ShomatePoly2, ShomatePoly, NasaPoly1, NasaPoly2, and ConstCpPoly.

Definition at line 61 of file SpeciesThermoInterpType.cpp.

Referenced by GeneralSpeciesThermo::reportOneHf298().

void modifyOneHf298	(	const size_t	k,
		const doublereal	Hf298New
	)

virtual

Modify the value of the 298 K Heat of Formation of one species in the phase (J kmol-1)

The 298K heat of formation is defined as the enthalpy change to create the standard state of the species from its constituent elements in their standard states at 298 K and 1 bar.

Parameters