A species thermodynamic property manager for the NASA polynomial parameterization with two temperature ranges. More...

#include <NasaThermo.h>

Inheritance diagram for NasaThermo:

Collaboration diagram for NasaThermo:

Public Member Functions
	NasaThermo ()
	constructor

	NasaThermo (const NasaThermo &right)
	Copy constructor.

NasaThermo &	operator= (const NasaThermo &right)
	Assignment operator.

virtual	~NasaThermo ()
	destructor

virtual SpeciesThermo *	duplMyselfAsSpeciesThermo () const
	Duplication routine for objects which inherit from SpeciesThermo.

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.

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

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

Public Attributes
const int	ID
	Initialized to the type of parameterization.

Protected Attributes
std::vector< std::vector < NasaPoly1 > >	m_high
	Vector of vector of NasaPoly1's for the high temp region.

std::vector< std::vector < NasaPoly1 > >	m_low
	Vector of vector of NasaPoly1's for the low temp region.

std::map< int, int >	m_index
	Map between the midpoint temperature, as an int, to the group number.

vector_fp	m_tmid
	Vector of log temperature limits.

doublereal	m_tlow_max
	Maximum value of the low temperature limit.

doublereal	m_thigh_min
	Minimum value of the high temperature limit.

vector_fp	m_tlow
	Vector of low temperature limits (species index)

vector_fp	m_thigh
	Vector of low temperature limits (species index)

doublereal	m_p0
	Reference pressure (Pa)

int	m_ngroups
	number of groups

vector_fp	m_t
	Vector of temperature polynomials.

std::map< size_t, size_t >	m_group_map

std::map< size_t, size_t >	m_posInGroup_map

std::map< size_t, std::string >	m_name
	Species name as a function of the species index.

Private Member Functions
void	checkContinuity (std::string name, double tmid, const doublereal clow, doublereal chigh)
	see SpeciesThermoFactory.cpp for the definition

doublereal	enthalpy_RT (double t, const doublereal *c)
	for internal use by checkContinuity

doublereal	entropy_R (double t, const doublereal *c)
	for internal use by checkContinuity

Detailed Description

A species thermodynamic property manager for the NASA polynomial parameterization with two temperature ranges.

This class is designed to efficiently evaluate the properties of a large number of species with the NASA parameterization.

The original NASA polynomial parameterization expressed the heat capacity as a fourth-order polynomial in temperature, with separate coefficients for each of two temperature ranges. (The newer NASA format adds coefficients for 1/T and 1/T^2, and allows multiple temperature ranges.) This class is designed for use with the original parameterization, which is used, for example, by the Chemkin software package.

In many cases, the midpoint temperature is the same for many species. To take advantage of this, class NasaThermo groups species with a common midpoint temperature, so that checking which range the desired temperature is in need be done only once for each group.

Note: There is a special CTML element for entering the coefficients of this parameterization.

See Also: importCTML

Definition at line 50 of file NasaThermo.h.

Constructor & Destructor Documentation

NasaThermo ( )

inline

constructor

Definition at line 62 of file NasaThermo.h.

References NasaThermo::m_t.

Referenced by NasaThermo::duplMyselfAsSpeciesThermo().

NasaThermo ( const NasaThermo & right )

inline

Copy constructor.

Parameters

right NasaThermo object to be copied.

Definition at line 75 of file NasaThermo.h.

References NasaThermo::operator=().

virtual ~NasaThermo ( )

inlinevirtual

destructor

Definition at line 116 of file NasaThermo.h.

Member Function Documentation

NasaThermo& operator= ( const NasaThermo & right )

inline

Assignment operator.

Parameters

right NasaThermo object to be copied.

Definition at line 88 of file NasaThermo.h.

References NasaThermo::m_group_map, NasaThermo::m_high, NasaThermo::m_index, NasaThermo::m_low, NasaThermo::m_name, NasaThermo::m_ngroups, NasaThermo::m_p0, NasaThermo::m_posInGroup_map, NasaThermo::m_t, NasaThermo::m_thigh, NasaThermo::m_thigh_min, NasaThermo::m_tlow, NasaThermo::m_tlow_max, and NasaThermo::m_tmid.

Referenced by NasaThermo::NasaThermo().

virtual SpeciesThermo* duplMyselfAsSpeciesThermo ( ) const

inlinevirtual

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.

Implements SpeciesThermo.

Definition at line 127 of file NasaThermo.h.

References NasaThermo::NasaThermo().

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

inlinevirtual

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. c[0] midpoint temperature c[1] - c[7] coefficients for low T range c[8] - c[14] coefficients for high T range
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

Implements SpeciesThermo.

Definition at line 154 of file NasaThermo.h.

References NasaThermo::checkContinuity(), Cantera::fp2str(), NasaThermo::m_group_map, NasaThermo::m_high, NasaThermo::m_index, NasaThermo::m_low, NasaThermo::m_name, NasaThermo::m_ngroups, NasaThermo::m_p0, NasaThermo::m_posInGroup_map, NasaThermo::m_thigh, NasaThermo::m_thigh_min, NasaThermo::m_tlow, NasaThermo::m_tlow_max, NasaThermo::m_tmid, NasaThermo::maxTemp(), NasaThermo::minTemp(), NasaThermo::refPressure(), and Cantera::writelog().

virtual void install_STIT ( SpeciesThermoInterpType * stit_ptr )

inlinevirtual

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 228 of file NasaThermo.h.

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

inlinevirtual

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

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 245 of file NasaThermo.h.

References NasaThermo::m_group_map, NasaThermo::m_high, NasaThermo::m_low, NasaThermo::m_posInGroup_map, NasaThermo::m_t, NasaPoly1::maxTemp(), and NasaPoly1::updateProperties().

virtual void update	(	doublereal	t,
		doublereal *	cp_R,
		doublereal *	h_RT,
		doublereal *	s_R
	)		const

inlinevirtual

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).

Implements SpeciesThermo.

Definition at line 285 of file NasaThermo.h.

References NasaThermo::m_high, NasaThermo::m_low, NasaThermo::m_ngroups, NasaThermo::m_t, and NasaThermo::m_tmid.

virtual doublereal minTemp ( size_t k = npos ) const

inlinevirtual

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

Implements SpeciesThermo.

Definition at line 323 of file NasaThermo.h.

References NasaThermo::m_tlow, NasaThermo::m_tlow_max, and Cantera::npos.

Referenced by NasaThermo::install().

virtual doublereal maxTemp ( size_t k = npos ) const

inlinevirtual

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 341 of file NasaThermo.h.

References NasaThermo::m_thigh, NasaThermo::m_thigh_min, and Cantera::npos.

Referenced by NasaThermo::install().

virtual doublereal refPressure ( size_t k = npos ) const

inlinevirtual

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 362 of file NasaThermo.h.

References NasaThermo::m_p0.

Referenced by NasaThermo::install().

virtual int reportType ( size_t index ) const

inlinevirtual

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

Parameters

index Species index

Implements SpeciesThermo.

Definition at line 372 of file NasaThermo.h.

References NASA.

Referenced by NasaThermo::modifyParams(), and NasaThermo::reportParams().

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

inlinevirtual

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. For the NASA object, there are 15 coefficients.
minTemp	output - Minimum temperature
maxTemp	output - Maximum temperature
refPressure	output - reference pressure (Pa).

Implements SpeciesThermo.

Definition at line 390 of file NasaThermo.h.

References NasaThermo::m_group_map, NasaThermo::m_high, NasaThermo::m_low, NasaThermo::m_posInGroup_map, NasaPoly1::maxTemp(), NASA, NASA1, NasaPoly1::reportParameters(), and NasaThermo::reportType().

virtual void modifyParams	(	size_t	index,
		doublereal *	c
	)

inlinevirtual

Modify parameters for the standard state.

This utility function modifies the array of coefficients. The array is the same as that returned by reportParams, so a call can first be made to reportParams to populate the array, and then modifyParams can be called to alter selected values. For the NASA object, there are 15 coefficients.

Parameters

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

Implements SpeciesThermo.

Definition at line 442 of file NasaThermo.h.

References NasaThermo::checkContinuity(), NasaThermo::m_group_map, NasaThermo::m_high, NasaThermo::m_low, NasaThermo::m_name, NasaThermo::m_posInGroup_map, NasaPoly1::maxTemp(), NasaPoly1::modifyParameters(), NASA, and NasaThermo::reportType().

void checkContinuity	(	std::string	name,
		double	tmid,
		const doublereal *	clow,
		doublereal *	chigh
	)

private

see SpeciesThermoFactory.cpp for the definition

Parameters

name	string name of species
tmid	Mid temperature, between the two temperature regions
clow	coefficients for lower temperature region
chigh	coefficients for higher temperature region

Definition at line 243 of file SpeciesThermoFactory.cpp.

References Cantera::fp2str(), Cantera::poly4(), and Cantera::writelog().

Referenced by NasaThermo::install(), and NasaThermo::modifyParams().

doublereal enthalpy_RT	(	double	t,
		const doublereal *	c
	)

inlineprivate

for internal use by checkContinuity

Parameters

t	temperature
c	coefficient array

Definition at line 604 of file NasaThermo.h.

References Cantera::OneThird.

doublereal entropy_R	(	double	t,
		const doublereal *	c
	)

inlineprivate

for internal use by checkContinuity

Parameters

t	temperature
c	coefficient array

Definition at line 615 of file NasaThermo.h.

References Cantera::OneThird.

Member Data Documentation

const int ID

Initialized to the type of parameterization.

Note, this value is used in some template functions

Definition at line 59 of file NasaThermo.h.

std::vector<std::vector<NasaPoly1> > m_high

protected

Vector of vector of NasaPoly1's for the high temp region.

This is the high temp region representation. The first Length is equal to the number of groups. The second vector is equal to the number of species in that particular group.

Definition at line 516 of file NasaThermo.h.

Referenced by NasaThermo::install(), NasaThermo::modifyParams(), NasaThermo::operator=(), NasaThermo::reportParams(), NasaThermo::update(), and NasaThermo::update_one().

std::vector<std::vector<NasaPoly1> > m_low

protected

Vector of vector of NasaPoly1's for the low temp region.

This is the low temp region representation. The first Length is equal to the number of groups. The second vector is equal to the number of species in that particular group.

Definition at line 525 of file NasaThermo.h.

Referenced by NasaThermo::install(), NasaThermo::modifyParams(), NasaThermo::operator=(), NasaThermo::reportParams(), NasaThermo::update(), and NasaThermo::update_one().

std::map<int, int> m_index

protected

Map between the midpoint temperature, as an int, to the group number.

Length is equal to the number of groups. Only used in the setup.

Definition at line 531 of file NasaThermo.h.

Referenced by NasaThermo::install(), and NasaThermo::operator=().

vector_fp m_tmid

protected

Vector of log temperature limits.

Length is equal to the number of groups.

Definition at line 537 of file NasaThermo.h.

Referenced by NasaThermo::install(), NasaThermo::operator=(), and NasaThermo::update().

doublereal m_tlow_max

protected

Maximum value of the low temperature limit.

Definition at line 540 of file NasaThermo.h.

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

doublereal m_thigh_min

protected

Minimum value of the high temperature limit.

Definition at line 543 of file NasaThermo.h.

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

vector_fp m_tlow

protected

Vector of low temperature limits (species index)

Length is equal to number of species

Definition at line 549 of file NasaThermo.h.

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

vector_fp m_thigh

protected

Vector of low temperature limits (species index)

Length is equal to number of species

Definition at line 555 of file NasaThermo.h.

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

doublereal m_p0

protected

Reference pressure (Pa)

all species must have the same reference pressure.

Definition at line 561 of file NasaThermo.h.

Referenced by NasaThermo::install(), NasaThermo::operator=(), and NasaThermo::refPressure().

int m_ngroups

protected

number of groups

Definition at line 564 of file NasaThermo.h.

Referenced by NasaThermo::install(), NasaThermo::operator=(), and NasaThermo::update().

vector_fp m_t

mutableprotected

Vector of temperature polynomials.

Definition at line 567 of file NasaThermo.h.

Referenced by NasaThermo::NasaThermo(), NasaThermo::operator=(), NasaThermo::update(), and NasaThermo::update_one().

std::map<size_t, size_t> m_group_map

mutableprotected

This map takes as its index, the species index in the phase. It returns the group index, where the temperature polynomials for that species are stored. group indices start at 1, so a decrement is always performed to access vectors.

Definition at line 575 of file NasaThermo.h.

Referenced by NasaThermo::install(), NasaThermo::modifyParams(), NasaThermo::operator=(), NasaThermo::reportParams(), and NasaThermo::update_one().

std::map<size_t, size_t> m_posInGroup_map

mutableprotected

This map takes as its index, the species index in the phase. It returns the position index within the group, where the temperature polynomials for that species are stored.

Definition at line 582 of file NasaThermo.h.

Referenced by NasaThermo::install(), NasaThermo::modifyParams(), NasaThermo::operator=(), NasaThermo::reportParams(), and NasaThermo::update_one().

std::map<size_t, std::string> m_name

mutableprotected

Species name as a function of the species index.

Definition at line 585 of file NasaThermo.h.

Referenced by NasaThermo::install(), NasaThermo::modifyParams(), and NasaThermo::operator=().

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

Public Member Functions

Public Attributes

Protected Attributes

Private Member Functions

Detailed Description

Constructor & Destructor Documentation

Member Function Documentation

Member Data Documentation