SpeciesThermo Class Reference
[Managers for Calculating Reference-State Thermodynamics]

Pure Virtual base class for the species thermo manager classes. More...

#include <SpeciesThermo.h>

Inheritance diagram for SpeciesThermo:

Public Member Functions
	SpeciesThermo ()
	Constructor.
virtual	~SpeciesThermo ()
	Destructor.
	SpeciesThermo (const SpeciesThermo &right)
	Copy Constructor for the SpeciesThermo object.
SpeciesThermo &	operator= (const SpeciesThermo &right)
	Assignment operator for the SpeciesThermo object.
virtual SpeciesThermo *	duplMyselfAsSpeciesThermo () const =0
	Duplication routine for objects which inherit from SpeciesThermo.
virtual void	install (std::string name, int index, int type, const doublereal *c, doublereal minTemp, doublereal maxTemp, doublereal refPressure)=0
	Install a new species thermodynamic property parameterization for one species.
virtual void	install_STIT (SpeciesThermoInterpType *stit_ptr)=0
	Install a new species thermodynamic property parameterization for one species.
virtual void	update (doublereal T, doublereal cp_R, doublereal h_RT, doublereal *s_R) const =0
	Compute the reference-state properties for all species.
virtual void	update_one (int k, doublereal T, doublereal cp_R, doublereal h_RT, doublereal *s_R) const
	Like update(), but only updates the single species k.
virtual doublereal	minTemp (int k=-1) const =0
	Minimum temperature.
virtual doublereal	maxTemp (int k=-1) const =0
	Maximum temperature.
virtual doublereal	refPressure (int k=-1) const =0
	The reference-state pressure for species k.
virtual int	reportType (int index=-1) const =0
	This utility function reports the type of parameterization used for the species with index number index.
virtual void	reportParams (int index, int &type, doublereal *const c, doublereal &minTemp, doublereal &maxTemp, doublereal &refPressure) const =0
	This utility function reports back the type of parameterization and all of the parameters for the species, index.
virtual void	modifyParams (int index, doublereal *c)=0
	Modify parameters for the standard state.

Detailed Description

Pure Virtual base class for the species thermo manager classes.

This class defines the interface which all subclasses must implement.

Class SpeciesThermo is the base class for a family of classes that compute properties of a set of species in their reference state at a range of temperatures. Note, the pressure dependence of the reference state is not handled by this particular species standard state model.

Definition at line 183 of file SpeciesThermo.h.

Constructor & Destructor Documentation

SpeciesThermo ( ) [inline]

Constructor.

Definition at line 188 of file SpeciesThermo.h.

virtual ~SpeciesThermo ( ) [inline, virtual]

Destructor.

Definition at line 191 of file SpeciesThermo.h.

SpeciesThermo ( const SpeciesThermo & right ) [inline]

Copy Constructor for the SpeciesThermo object.

Parameters:

right

Reference to SpeciesThermo object to be copied into the current one.

Definition at line 198 of file SpeciesThermo.h.

Member Function Documentation

virtual SpeciesThermo* duplMyselfAsSpeciesThermo ( ) const [pure virtual]

Duplication routine for objects which inherit from SpeciesThermo.

This virtual routine can be used to duplicate SpeciesThermo objects inherited from SpeciesThermo even if the application only has a pointer to SpeciesThermo to work with. ->commented out because we first need to add copy constructors and assignment operators to all of the derived classes.

Implemented in GeneralSpeciesThermo, NasaThermo, ShomateThermo, SimpleThermo, SpeciesThermoDuo< T1, T2 >, and SpeciesThermo1< SPM >.

virtual void install	(	std::string	name,
		int	index,
		int	type,
		const doublereal *	c,
		doublereal	minTemp,
		doublereal	maxTemp,
		doublereal	refPressure
	)			`[pure virtual]`

Install a new species thermodynamic property parameterization for one species.

Parameters:

	name	Name of the species
	index	The 'update' method will update the property values for this species at position i index in the property arrays.
	type	int flag specifying the type of parameterization to be installed.
	c	vector of coefficients for the parameterization. This vector is simply passed through to the parameterization constructor.
	minTemp	minimum temperature for which this parameterization is valid.
	maxTemp	maximum temperature for which this parameterization is valid.
	refPressure	standard-state pressure for this parameterization.

See also:: speciesThermoTypes.h

Implemented in GeneralSpeciesThermo, and SpeciesThermoDuo< T1, T2 >.

virtual void install_STIT ( SpeciesThermoInterpType * stit_ptr ) [pure virtual]

Install a new species thermodynamic property parameterization for one species.

Parameters:

stit_ptr

Pointer to the SpeciesThermoInterpType object This will set up the thermo for one species

Implemented in GeneralSpeciesThermo, NasaThermo, ShomateThermo, SimpleThermo, and SpeciesThermoDuo< T1, T2 >.

virtual doublereal maxTemp ( int k = -1 ) const [pure virtual]

Maximum temperature.

If no argument is supplied, this method returns the maximum temperature for which all parameterizations are valid. If an integer index k is supplied, then the value returned is the maximum temperature for parameterization k.

Parameters:

k

Species Index

Implemented in GeneralSpeciesThermo, NasaThermo, ShomateThermo, SimpleThermo, SpeciesThermoDuo< T1, T2 >, and SpeciesThermo1< SPM >.

Referenced by IdealSolidSolnPhase::initLengths(), StoichSubstanceSSTP::initThermo(), SingleSpeciesTP::initThermo(), PDSS_IdealGas::initThermo(), IdealGasPhase::initThermo(), PDSS_SSVol::initThermoXML(), PDSS_ConstVol::initThermoXML(), and ThermoPhase::maxTemp().

virtual doublereal minTemp ( int k = -1 ) const [pure virtual]

Minimum temperature.

If no argument is supplied, this method returns the minimum temperature for which all parameterizations are valid. If an integer index k is supplied, then the value returned is the minimum temperature for species k in the phase.

Parameters:

k

Species index

Implemented in GeneralSpeciesThermo, NasaThermo, ShomateThermo, SimpleThermo, SpeciesThermoDuo< T1, T2 >, and SpeciesThermo1< SPM >.

Referenced by IdealSolidSolnPhase::initLengths(), StoichSubstanceSSTP::initThermo(), SingleSpeciesTP::initThermo(), PDSS_IdealGas::initThermo(), IdealGasPhase::initThermo(), PDSS_SSVol::initThermoXML(), PDSS_ConstVol::initThermoXML(), and ThermoPhase::minTemp().

virtual void modifyParams	(	int	index,
		doublereal *	c
	)			`[pure virtual]`

Modify parameters for the standard state.

Parameters:

	index	Species index
	c	Vector of coefficients used to set the parameters for the standard state.

Implemented in GeneralSpeciesThermo, NasaThermo, ShomateThermo, SimpleThermo, SpeciesThermoDuo< T1, T2 >, and SpeciesThermo1< SPM >.

SpeciesThermo& operator= ( const SpeciesThermo & right ) [inline]

Assignment operator for the SpeciesThermo object.

This is NOT a virtual function.

Parameters:

right

Reference to SpeciesThermo object to be copied into the current one.

Definition at line 207 of file SpeciesThermo.h.

virtual doublereal refPressure ( int k = -1 ) const [pure virtual]

The reference-state pressure for species k.

returns the reference state pressure in Pascals for species k. If k is left out of the argument list, it returns the reference state pressure for the first species. Note that some SpeciesThermo implementations, such as those for ideal gases, require that all species in the same phase have the same reference state pressures.

Parameters:

k

Species Index

Implemented in GeneralSpeciesThermo, NasaThermo, ShomateThermo, SimpleThermo, SpeciesThermoDuo< T1, T2 >, and SpeciesThermo1< SPM >.

Referenced by PDSS_SSVol::constructPDSSXML(), PDSS_ConstVol::constructPDSSXML(), VPSSMgr_IdealGas::createInstallPDSS(), IdealGasPhase::entropy_mole(), IdealGasPhase::getEntropy_R(), IdealGasPhase::getGibbs_RT(), IdealGasPhase::getPartialMolarEntropies(), IdealGasPhase::getPureGibbs(), IdealGasPhase::getStandardChemPotentials(), PDSS_SSVol::initThermo(), PDSS_IdealGas::initThermo(), PDSS_ConstVol::initThermo(), VPSSMgr::initThermoXML(), PDSS_SSVol::initThermoXML(), PDSS_ConstVol::initThermoXML(), VPSSMgr::installSTSpecies(), and ThermoPhase::refPressure().

virtual void reportParams	(	int	index,
		int &	type,
		doublereal *const	c,
		doublereal &	minTemp,
		doublereal &	maxTemp,
		doublereal &	refPressure
	)			const `[pure virtual]`

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

Parameters:

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

Implemented in GeneralSpeciesThermo, NasaThermo, ShomateThermo, SimpleThermo, SpeciesThermoDuo< T1, T2 >, and SpeciesThermo1< SPM >.

virtual int reportType ( int index = -1 ) const [pure virtual]

This utility function reports the type of parameterization used for the species with index number index.

Parameters:

index

Species index

Implemented in GeneralSpeciesThermo, NasaThermo, ShomateThermo, SimpleThermo, SpeciesThermoDuo< T1, T2 >, and SpeciesThermo1< SPM >.

virtual void update	(	doublereal	T,
		doublereal *	cp_R,
		doublereal *	h_RT,
		doublereal *	s_R
	)			const `[pure virtual]`

Compute the reference-state properties for all 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 each of the standard states.

Parameters:

	T	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 GeneralSpeciesThermo, NasaThermo, ShomateThermo, SimpleThermo, and SpeciesThermoDuo< T1, T2 >.

Referenced by VPSSMgr_Water_ConstVol::_updateRefStateThermo(), VPSSMgr::_updateRefStateThermo(), SurfPhase::_updateThermo(), SingleSpeciesTP::_updateThermo(), IdealSolidSolnPhase::_updateThermo(), IdealGasPhase::_updateThermo(), and SpeciesThermo::update_one().

virtual void update_one	(	int	k,
		doublereal	T,
		doublereal *	cp_R,
		doublereal *	h_RT,
		doublereal *	s_R
	)			const `[inline, virtual]`

Like update(), but only updates the single species k.

The default treatment is to just call update() which means that potentially the operation takes a m_kk*m_kk hit.

Parameters:

	k	species index
	T	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).

Reimplemented in GeneralSpeciesThermo, NasaThermo, ShomateThermo, and SimpleThermo.

Definition at line 291 of file SpeciesThermo.h.

References SpeciesThermo::update().

Referenced by PDSS_SSVol::setTemperature(), PDSS_IdealGas::setTemperature(), and PDSS_ConstVol::setTemperature().

The documentation for this class was generated from the following file:

SpeciesThermo.h

SpeciesThermo Class Reference [Managers for Calculating Reference-State Thermodynamics]

Public Member Functions

Detailed Description

Constructor & Destructor Documentation

Member Function Documentation

SpeciesThermo Class Reference
[Managers for Calculating Reference-State Thermodynamics]