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

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

#include <NasaThermo.h>

Inheritance diagram for NasaThermo:

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Collaboration diagram for NasaThermo:

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List of all members.

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 (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.
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
virtual void	modifyParams (int index, doublereal *c)
	Modify parameters for the standard state.
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.
Public Attributes
const int	ID
	Initialized to the type of parameterization.
Protected Attributes
vector< vector< NasaPoly1 > >	m_high
	Vector of vector of NasaPoly1's for the high temp region.
vector< vector< NasaPoly1 > >	m_low
	Vector of vector of NasaPoly1's for the low temp region.
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.
map< int, int >	m_group_map
map< int, int >	m_posInGroup_map
map< int, 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 55 of file NasaThermo.h.

Constructor & Destructor Documentation

NasaThermo ( ) [inline]

constructor

Definition at line 66 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 80 of file NasaThermo.h.

References NasaThermo::operator=().

virtual ~NasaThermo ( ) [inline, virtual]

destructor

Definition at line 120 of file NasaThermo.h.

Member Function Documentation

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 251 of file SpeciesThermoFactory.cpp.

References NasaThermo::enthalpy_RT(), NasaThermo::entropy_R(), Cantera::fp2str(), Cantera::poly4(), and Cantera::writelog().

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

virtual SpeciesThermo* duplMyselfAsSpeciesThermo ( ) const [inline, 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.

Implements SpeciesThermo.

Definition at line 131 of file NasaThermo.h.

References NasaThermo::NasaThermo().

doublereal enthalpy_RT	(	double	t,
		const doublereal *	c
	)			`[inline, private]`

for internal use by checkContinuity

Parameters:

	t	temperature
	c	coefficient array

Definition at line 599 of file NasaThermo.h.

References Cantera::OneThird.

Referenced by NasaThermo::checkContinuity().

doublereal entropy_R	(	double	t,
		const doublereal *	c
	)			`[inline, private]`

for internal use by checkContinuity

Parameters:

	t	temperature
	c	coefficient array

Definition at line 610 of file NasaThermo.h.

References Cantera::OneThird.

Referenced by NasaThermo::checkContinuity().

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

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	(	string	name,
		int	index,
		int	type,
		const doublereal *	c,
		doublereal	minTemp,
		doublereal	maxTemp,
		doublereal	refPressure
	)			`[inline, 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. 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

Definition at line 158 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, and Cantera::writelog().

virtual void install_STIT ( SpeciesThermoInterpType * stit_ptr ) [inline, 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 227 of file NasaThermo.h.

virtual doublereal maxTemp ( int k = -1 ) const [inline, 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 339 of file NasaThermo.h.

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

virtual doublereal minTemp ( int k = -1 ) const [inline, 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

Implements SpeciesThermo.

Definition at line 322 of file NasaThermo.h.

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

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

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 437 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().

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

Assignment operator.

Parameters:

right

NasaThermo object to be copied.

Definition at line 94 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 doublereal refPressure ( int k = -1 ) const [inline, 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 359 of file NasaThermo.h.

References NasaThermo::m_p0.

virtual void reportParams	(	int	index,
		int &	type,
		doublereal *const	c,
		doublereal &	minTemp,
		doublereal &	maxTemp,
		doublereal &	refPressure
	)			const `[inline, 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. 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 385 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 int reportType ( int index ) const [inline, virtual]

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 369 of file NasaThermo.h.

References NASA.

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

virtual void update	(	doublereal	t,
		doublereal *	cp_R,
		doublereal *	h_RT,
		doublereal *	s_R
	)			const `[inline, 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).

Implements SpeciesThermo.

Definition at line 284 of file NasaThermo.h.

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

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.

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 244 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().

Member Data Documentation

const int ID

Initialized to the type of parameterization.

Note, this value is used in some template functions

Definition at line 63 of file NasaThermo.h.

map<int, int> m_group_map [mutable, protected]

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 indecises start at 1, so a decrement is always performed to access vectors.

Definition at line 570 of file NasaThermo.h.

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

vector<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 511 of file NasaThermo.h.

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

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 526 of file NasaThermo.h.

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

vector<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 520 of file NasaThermo.h.

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

map<int, string> m_name [mutable, protected]

Species name as a function of the species index.

Definition at line 580 of file NasaThermo.h.

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

int m_ngroups [protected]

number of groups

Definition at line 559 of file NasaThermo.h.

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

doublereal m_p0 [protected]

Reference pressure (Pa).

all species must have the same reference pressure.

Definition at line 556 of file NasaThermo.h.

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

map<int, int> m_posInGroup_map [mutable, protected]

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 storred.

Definition at line 577 of file NasaThermo.h.

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