A species thermodynamic property manager for a phase. More...

#include <GeneralSpeciesThermo.h>

Inheritance diagram for GeneralSpeciesThermo:

Collaboration diagram for GeneralSpeciesThermo:

Public Member Functions
	GeneralSpeciesThermo ()
	Constructor.

	GeneralSpeciesThermo (const GeneralSpeciesThermo &b)
	Copy constructor.

GeneralSpeciesThermo &	operator= (const GeneralSpeciesThermo &b)
	Assignment operator.

virtual	~GeneralSpeciesThermo ()
	Destructor.

virtual SpeciesThermo *	duplMyselfAsSpeciesThermo () const
	Duplicator.

virtual void	install (std::string name, size_t index, int type, const doublereal *c, doublereal minTemp, doublereal maxTemp, doublereal refPressure)
	Install a new species thermodynamic property parameterization for one species.

virtual void	install_STIT (SpeciesThermoInterpType *stit_ptr)
	Install a new species thermodynamic property parameterization for one species.

void	installPDSShandler (size_t k, PDSS PDSS_ptr, VPSSMgr vpssmgr_ptr)
	Install a PDSS object to handle the reference state thermodynamics calculation.

virtual void	update_one (size_t k, doublereal T, doublereal cp_R, doublereal h_RT, doublereal *s_R) const
	Like update(), but only updates the single species k.

virtual void	update (doublereal T, doublereal cp_R, doublereal h_RT, doublereal *s_R) const
	Compute the reference-state properties for all species.

virtual doublereal	minTemp (size_t k=npos) const
	Minimum temperature.

virtual doublereal	maxTemp (size_t k=npos) const
	Maximum temperature.

virtual doublereal	refPressure (size_t k=npos) const
	The reference-state pressure for species k.

virtual int	reportType (size_t index) const
	This utility function reports the type of parameterization used for the species with index number index.

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

virtual void	modifyParams (size_t index, doublereal *c)
	Modify parameters for the standard state.

Protected Attributes
std::vector < SpeciesThermoInterpType * >	m_sp
	This is the main unknown in the object.

doublereal	m_tlow_max
	Maximum value of the lowest temperature.

doublereal	m_thigh_min
	Minimum value of the highest temperature.

doublereal	m_p0
	reference pressure (Pa)

size_t	m_kk
	Internal variable indicating the length of the number of species in the phase.

Private Member Functions
SpeciesThermoInterpType *	provideSTIT (size_t k)
	Provide the SpeciesthermoInterpType object.

Friends
class	VPSSMgr
	Make the class VPSSMgr a friend because we need to access the function provideSTIT()

Detailed Description

A species thermodynamic property manager for a phase.

This is a general manager that can handle a wide variety of species thermodynamic polynomials for individual species. It is slow, however, because it recomputes the functions of temperature needed for each species. What it does is to create a vector of SpeciesThermoInterpType objects.

Definition at line 32 of file GeneralSpeciesThermo.h.

Constructor & Destructor Documentation

GeneralSpeciesThermo ( )

Constructor.

Definition at line 28 of file GeneralSpeciesThermo.cpp.

References GeneralSpeciesThermo::m_thigh_min, and GeneralSpeciesThermo::m_tlow_max.

Referenced by GeneralSpeciesThermo::duplMyselfAsSpeciesThermo().

GeneralSpeciesThermo ( const GeneralSpeciesThermo & b )

Copy constructor.

Parameters

b	Object to be copied

Definition at line 40 of file GeneralSpeciesThermo.cpp.

References SpeciesThermoInterpType::duplMyselfAsSpeciesThermoInterpType(), GeneralSpeciesThermo::m_kk, and GeneralSpeciesThermo::m_sp.

~GeneralSpeciesThermo ( )

virtual

Destructor.

Definition at line 80 of file GeneralSpeciesThermo.cpp.

References GeneralSpeciesThermo::m_kk, and GeneralSpeciesThermo::m_sp.

Member Function Documentation

GeneralSpeciesThermo & operator= ( const GeneralSpeciesThermo & b )

Assignment operator.

Parameters

b	Object to be copied

Definition at line 55 of file GeneralSpeciesThermo.cpp.

References SpeciesThermoInterpType::duplMyselfAsSpeciesThermoInterpType(), GeneralSpeciesThermo::m_kk, GeneralSpeciesThermo::m_sp, GeneralSpeciesThermo::m_thigh_min, and GeneralSpeciesThermo::m_tlow_max.

SpeciesThermo * duplMyselfAsSpeciesThermo ( ) const

virtual

Duplicator.

Implements SpeciesThermo.

Definition at line 93 of file GeneralSpeciesThermo.cpp.

References GeneralSpeciesThermo::GeneralSpeciesThermo().

void install	(	std::string	name,
		size_t	index,
		int	type,
		const doublereal *	c,
		doublereal	minTemp,
		doublereal	maxTemp,
		doublereal	refPressure
	)

virtual

Install a new species thermodynamic property parameterization for one species.

Install a SpeciesThermoInterpType object for the species, index. This routine contains an internal list of SpeciesThermoInterpType objects that it knows about. A factory-type lookup is done to create the object.

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. Its length depends upon the parameterization.
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

Todo:: Create a factory method for SpeciesThermoInterpType. That's basically what we are doing here.

Implements SpeciesThermo.

Definition at line 107 of file GeneralSpeciesThermo.cpp.

References ADSORBATE, CONSTANT_CP, Cantera::int2str(), GeneralSpeciesThermo::m_kk, GeneralSpeciesThermo::m_sp, GeneralSpeciesThermo::m_thigh_min, GeneralSpeciesThermo::m_tlow_max, ckr::max(), ckr::min(), MU0_INTERP, NASA1, NASA2, SHOMATE1, SHOMATE2, and SIMPLE.

void install_STIT ( SpeciesThermoInterpType * stit_ptr )

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

Implements SpeciesThermo.

Definition at line 181 of file GeneralSpeciesThermo.cpp.

References AssertThrow, Cantera::int2str(), GeneralSpeciesThermo::m_kk, GeneralSpeciesThermo::m_sp, GeneralSpeciesThermo::m_thigh_min, GeneralSpeciesThermo::m_tlow_max, ckr::max(), GeneralSpeciesThermo::maxTemp(), SpeciesThermoInterpType::maxTemp(), ckr::min(), GeneralSpeciesThermo::minTemp(), SpeciesThermoInterpType::minTemp(), and SpeciesThermoInterpType::speciesIndex().

Referenced by GeneralSpeciesThermo::installPDSShandler().

void installPDSShandler	(	size_t	k,
		PDSS *	PDSS_ptr,
		VPSSMgr *	vpssmgr_ptr
	)

Install a PDSS object to handle the reference state thermodynamics calculation.

Parameters

k	species index
PDSS_ptr	Pressure dependent standard state (PDSS) object that will handle the reference state calc
vpssmgr_ptr	Pointer to the variable pressure standard state manager that handles the PDSS object.

Definition at line 215 of file GeneralSpeciesThermo.cpp.

References GeneralSpeciesThermo::install_STIT().

Referenced by VPSSMgr_Water_ConstVol::createInstallPDSS(), VPSSMgr_Water_HKFT::createInstallPDSS(), and VPSSMgr_General::returnPDSS_ptr().

void update_one	(	size_t	k,
		doublereal	T,
		doublereal *	cp_R,
		doublereal *	h_RT,
		doublereal *	s_R
	)		const

virtual

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

Update the properties for one species.

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 from SpeciesThermo.

Definition at line 226 of file GeneralSpeciesThermo.cpp.

References GeneralSpeciesThermo::m_sp, and SpeciesThermoInterpType::updatePropertiesTemp().

void update	(	doublereal	T,
		doublereal *	cp_R,
		doublereal *	h_RT,
		doublereal *	s_R
	)		const

virtual

Compute the reference-state properties for all species.

Update the 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).

Implements SpeciesThermo.

Definition at line 240 of file GeneralSpeciesThermo.cpp.

References GeneralSpeciesThermo::m_sp, and SpeciesThermoInterpType::updatePropertiesTemp().

doublereal minTemp ( size_t k = npos ) const

virtual

Minimum temperature.

Return the lowest temperature at which the thermodynamic parameterization is valid.

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

If no argument is supplied, the value is the one for which all species parameterizations are valid. Otherwise, if an integer argument is given, the value applies only to the species with that index.

Implements SpeciesThermo.

Definition at line 318 of file GeneralSpeciesThermo.cpp.

References GeneralSpeciesThermo::m_sp, GeneralSpeciesThermo::m_tlow_max, SpeciesThermoInterpType::minTemp(), and Cantera::npos.

Referenced by GeneralSpeciesThermo::install_STIT().

doublereal maxTemp ( size_t k = npos ) const

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

Implements SpeciesThermo.

Definition at line 331 of file GeneralSpeciesThermo.cpp.

References GeneralSpeciesThermo::m_sp, GeneralSpeciesThermo::m_thigh_min, SpeciesThermoInterpType::maxTemp(), and Cantera::npos.

Referenced by GeneralSpeciesThermo::install_STIT().

doublereal refPressure ( size_t k = npos ) const

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

Implements SpeciesThermo.

Definition at line 344 of file GeneralSpeciesThermo.cpp.

References GeneralSpeciesThermo::m_p0, GeneralSpeciesThermo::m_sp, Cantera::npos, and SpeciesThermoInterpType::refPressure().

int reportType ( size_t index ) const

virtual

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

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

Parameters

index Species index

Implements SpeciesThermo.

Definition at line 262 of file GeneralSpeciesThermo.cpp.

References GeneralSpeciesThermo::m_sp, and SpeciesThermoInterpType::reportType().

void reportParams	(	size_t	index,
		int &	type,
		doublereal *const	c,
		doublereal &	minTemp,
		doublereal &	maxTemp,
		doublereal &	refPressure
	)		const

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).

For the NASA object, there are 15 coefficients.

Implements SpeciesThermo.

Definition at line 278 of file GeneralSpeciesThermo.cpp.

References GeneralSpeciesThermo::m_sp, and SpeciesThermoInterpType::reportParameters().

void modifyParams	(	size_t	index,
		doublereal *	c
	)

virtual

Modify parameters for the standard state.

Parameters

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

Deprecated:

Parameters

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

Implements SpeciesThermo.

Definition at line 302 of file GeneralSpeciesThermo.cpp.

References GeneralSpeciesThermo::m_sp, and SpeciesThermoInterpType::modifyParameters().

SpeciesThermoInterpType * provideSTIT ( size_t k )

private

Provide the SpeciesthermoInterpType object.

provide access to the SpeciesThermoInterpType object. This

Parameters

k	integer parameter

Returns: pointer to the SpeciesThermoInterpType object.

Definition at line 358 of file GeneralSpeciesThermo.cpp.

References GeneralSpeciesThermo::m_sp.

Referenced by VPSSMgr::initAllPtrs().

Friends And Related Function Documentation

friend class VPSSMgr

friend

Make the class VPSSMgr a friend because we need to access the function provideSTIT()

Definition at line 269 of file GeneralSpeciesThermo.h.

Member Data Documentation

std::vector<SpeciesThermoInterpType*> m_sp

protected

This is the main unknown in the object.

It is a list of pointers to type SpeciesThermoInterpType. Note, this object owns the objects, so they are deleted in the destructor of this object. Note, that in some instances, m_sp[k] = 0, e.g., no SpeciesThermoInterpType is installed for one or more species. These cases must be handled by the calling routine.

Definition at line 249 of file GeneralSpeciesThermo.h.