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

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

#include <GeneralSpeciesThermo.h>

Inheritance diagram for GeneralSpeciesThermo:

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Collaboration diagram for GeneralSpeciesThermo:

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List of all members.

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, int 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 (int k, PDSS PDSS_ptr, VPSSMgr vpssmgr_ptr)
	Install a PDSS object to handle the reference state thermodynamics calculation.
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 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 (int k=-1) const
	Minimum temperature.
virtual doublereal	maxTemp (int k=-1) const
	Maximum temperature.
virtual doublereal	refPressure (int k=-1) const
	The reference-state pressure for species k.
virtual int	reportType (int index) const
	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
	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)
	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)
int	m_kk
	Internal variable indicating the length of the number of species in the phase.
Private Member Functions
SpeciesThermoInterpType *	provideSTIT (int 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 38 of file GeneralSpeciesThermo.h.

Constructor & Destructor Documentation

GeneralSpeciesThermo ( )

Constructor.

Definition at line 33 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 45 of file GeneralSpeciesThermo.cpp.

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

~GeneralSpeciesThermo ( ) [virtual]

Destructor.

Definition at line 84 of file GeneralSpeciesThermo.cpp.

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

Member Function Documentation

SpeciesThermo * duplMyselfAsSpeciesThermo ( ) const [virtual]

Duplicator.

Implements SpeciesThermo.

Definition at line 96 of file GeneralSpeciesThermo.cpp.

References GeneralSpeciesThermo::GeneralSpeciesThermo().

void install	(	std::string	name,
		int	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. It's 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 109 of file GeneralSpeciesThermo.cpp.

References ADSORBATE, CONSTANT_CP, Cantera::int2str(), GeneralSpeciesThermo::m_kk, GeneralSpeciesThermo::m_sp, GeneralSpeciesThermo::m_thigh_min, GeneralSpeciesThermo::m_tlow_max, Cantera::max(), Cantera::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 184 of file GeneralSpeciesThermo.cpp.

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

Referenced by GeneralSpeciesThermo::installPDSShandler().

void installPDSShandler	(	int	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 217 of file GeneralSpeciesThermo.cpp.

References GeneralSpeciesThermo::install_STIT().

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

doublereal maxTemp ( int k = -1 ) 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 326 of file GeneralSpeciesThermo.cpp.

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

Referenced by GeneralSpeciesThermo::install_STIT().

doublereal minTemp ( int k = -1 ) 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 314 of file GeneralSpeciesThermo.cpp.

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

Referenced by GeneralSpeciesThermo::install_STIT().

void modifyParams	(	int	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.

Implements SpeciesThermo.

Definition at line 299 of file GeneralSpeciesThermo.cpp.

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

GeneralSpeciesThermo & operator= ( const GeneralSpeciesThermo & b )

Assignment operator.

Parameters:

b

Object to be copied

Definition at line 60 of file GeneralSpeciesThermo.cpp.

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

SpeciesThermoInterpType * provideSTIT ( int 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 351 of file GeneralSpeciesThermo.cpp.

References GeneralSpeciesThermo::m_sp.

Referenced by VPSSMgr::initAllPtrs().

doublereal refPressure ( int k = -1 ) 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 338 of file GeneralSpeciesThermo.cpp.

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

void reportParams	(	int	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 276 of file GeneralSpeciesThermo.cpp.

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

int reportType ( int 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 261 of file GeneralSpeciesThermo.cpp.

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

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().

void update_one	(	int	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 227 of file GeneralSpeciesThermo.cpp.

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

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 273 of file GeneralSpeciesThermo.h.

Member Data Documentation

int m_kk [protected]

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

Definition at line 268 of file GeneralSpeciesThermo.h.

Referenced by GeneralSpeciesThermo::GeneralSpeciesThermo(), GeneralSpeciesThermo::install(), GeneralSpeciesThermo::install_STIT(), GeneralSpeciesThermo::operator=(), and GeneralSpeciesThermo::~GeneralSpeciesThermo().

doublereal m_p0 [protected]

reference pressure (Pa)

Definition at line 262 of file GeneralSpeciesThermo.h.

Referenced by GeneralSpeciesThermo::refPressure().

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 253 of file GeneralSpeciesThermo.h.

doublereal m_thigh_min [protected]

Minimum value of the highest temperature.

Definition at line 259 of file GeneralSpeciesThermo.h.

Referenced by GeneralSpeciesThermo::GeneralSpeciesThermo(), GeneralSpeciesThermo::install(), GeneralSpeciesThermo::install_STIT(), GeneralSpeciesThermo::maxTemp(), and GeneralSpeciesThermo::operator=().

doublereal m_tlow_max [protected]

Maximum value of the lowest temperature.

Definition at line 256 of file GeneralSpeciesThermo.h.

Referenced by GeneralSpeciesThermo::GeneralSpeciesThermo(), GeneralSpeciesThermo::install(), GeneralSpeciesThermo::install_STIT(), GeneralSpeciesThermo::minTemp(), and GeneralSpeciesThermo::operator=().

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

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

Public Member Functions

Protected Attributes

Private Member Functions

Friends

Detailed Description

Constructor & Destructor Documentation

Member Function Documentation

Friends And Related Function Documentation

Member Data Documentation

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