The NASA 9 polynomial parameterization for one temperature range. More...

#include <Nasa9Poly1.h>

Inheritance diagram for Nasa9Poly1:

Detailed Description

The NASA 9 polynomial parameterization for one temperature range.

This parameterization expresses the heat capacity via a 7 coefficient polynomial. Note that this is the form used in the 2002 NASA equilibrium program. A reference to the form is provided in McBride, et al. [28].

Nine coefficients \( (a_0,\dots,a_8) \) are used to represent \( C_p^0(T) \), \( H^0(T) \), and \( S^0(T) \) as polynomials in \( T \) :

\[ \frac{C_p^0(T)}{R} = a_0 T^{-2} + a_1 T^{-1} + a_2 + a_3 T + a_4 T^2 + a_5 T^3 + a_6 T^4 \]

\[ \frac{H^0(T)}{RT} = - a_0 T^{-2} + a_1 \frac{\ln T}{T} + a_2 + \frac{a_3}{2} T + \frac{a_4}{3} T^2 + \frac{a_5}{4} T^3 + \frac{a_6}{5} T^4 + \frac{a_7}{T} \]

\[ \frac{s^0(T)}{R} = - \frac{a_0}{2} T^{-2} - a_1 T^{-1} + a_2 \ln T + a_3 T + \frac{a_4}{2} T^2 + \frac{a_5}{3} T^3 + \frac{a_6}{4} T^4 + a_8 \]

The standard state is assumed to be an ideal gas at the standard pressure of 1 bar, for gases. For condensed species, the standard state is the pure crystalline or liquid substance at the standard pressure of 1 atm.

These NASA representations may have multiple temperature regions through the use of the Nasa9PolyMultiTempRegion object, which uses multiple copies of this Nasa9Poly1 object to handle multiple temperature regions.

See also: Nasa9PolyMultiTempRegion

Definition at line 59 of file Nasa9Poly1.h.

Public Member Functions
	Nasa9Poly1 (double tlow, double thigh, double pref, const double *coeffs)
	Constructor with all input data.

void	setParameters (const vector< double > &coeffs)
	Set the array of 9 polynomial coefficients.

int	reportType () const override
	Returns an integer representing the type of parameterization.

size_t	temperaturePolySize () const override
	Number of terms in the temperature polynomial for this parameterization.

void	updateTemperaturePoly (double T, double *T_poly) const override
	Given the temperature T, compute the terms of the temperature polynomial T_poly.

void	updateProperties (const double tt, double cp_R, double h_RT, double s_R) const override
	Update the properties for this species, given a temperature polynomial.

void	updatePropertiesTemp (const double temp, double cp_R, double h_RT, double *s_R) const override
	Compute the reference-state property of one species.

void	reportParameters (size_t &n, int &type, double &tlow, double &thigh, double &pref, double *const coeffs) const override
	This utility function reports back the type of parameterization and all of the parameters for the species.

void	getParameters (AnyMap &thermo) const override
	Store the parameters of the species thermo object such that an identical species thermo object could be reconstructed using the newSpeciesThermo() function.

Public Member Functions inherited from SpeciesThermoInterpType
	SpeciesThermoInterpType (double tlow, double thigh, double pref)

	SpeciesThermoInterpType (const SpeciesThermoInterpType &b)=delete

SpeciesThermoInterpType &	operator= (const SpeciesThermoInterpType &b)=delete

virtual double	minTemp () const
	Returns the minimum temperature that the thermo parameterization is valid.

virtual void	setMinTemp (double Tmin)
	Set the minimum temperature at which the thermo parameterization is valid.

virtual double	maxTemp () const
	Returns the maximum temperature that the thermo parameterization is valid.

virtual void	setMaxTemp (double Tmax)
	Set the maximum temperature at which the thermo parameterization is valid.

virtual double	refPressure () const
	Returns the reference pressure (Pa)

virtual void	setRefPressure (double Pref)
	Set the reference pressure [Pa].

virtual void	validate (const string &name)
	Check for problems with the parameterization, and generate warnings or throw and exception if any are found.

virtual int	reportType () const
	Returns an integer representing the type of parameterization.

virtual size_t	temperaturePolySize () const
	Number of terms in the temperature polynomial for this parameterization.

virtual void	updateTemperaturePoly (double T, double *T_poly) const
	Given the temperature T, compute the terms of the temperature polynomial T_poly.

virtual void	updateProperties (const double tt, double cp_R, double h_RT, double s_R) const
	Update the properties for this species, given a temperature polynomial.

virtual void	updatePropertiesTemp (const double temp, double cp_R, double h_RT, double *s_R) const
	Compute the reference-state property of one species.

virtual size_t	nCoeffs () const
	This utility function returns the number of coefficients for a given type of species parameterization.

virtual void	reportParameters (size_t &index, int &type, double &minTemp, double &maxTemp, double &refPressure, double *const coeffs) const
	This utility function returns the type of parameterization and all of the parameters for the species.

AnyMap	parameters (bool withInput=true) const
	Return the parameters of the species thermo object such that an identical species thermo object could be reconstructed using the newSpeciesThermo() function.

virtual double	reportHf298 (double *const h298=0) const
	Report the 298 K Heat of Formation of the standard state of one species (J kmol-1)

virtual void	modifyOneHf298 (const size_t k, const double Hf298New)
	Modify the value of the 298 K Heat of Formation of one species in the phase (J kmol-1)

virtual void	resetHf298 ()
	Restore the original heat of formation for this species.

const AnyMap &	input () const
	Access input data associated with the species thermo definition.

AnyMap &	input ()

Protected Attributes
vector< double >	m_coeff
	array of polynomial coefficients

Protected Attributes inherited from SpeciesThermoInterpType
double	m_lowT = 0.0
	lowest valid temperature

double	m_highT = 0.0
	Highest valid temperature.

double	m_Pref = 0.0
	Reference state pressure.

AnyMap	m_input

Additional Inherited Members
virtual void	getParameters (AnyMap &thermo) const
	Store the parameters of the species thermo object such that an identical species thermo object could be reconstructed using the newSpeciesThermo() function.

Constructor & Destructor Documentation

◆ Nasa9Poly1() [1/2]

Nasa9Poly1 ( )

Definition at line 21 of file Nasa9Poly1.cpp.

◆ Nasa9Poly1() [2/2]

Nasa9Poly1	(	double	tlow,
		double	thigh,
		double	pref,
		const double *	coeffs
	)

Constructor with all input data.

Parameters

tlow	Minimum temperature
thigh	Maximum temperature
pref	reference pressure (Pa).
coeffs	Vector of coefficients used to set the parameters for the standard state.

Definition at line 26 of file Nasa9Poly1.cpp.

Member Function Documentation

◆ setParameters()

void setParameters ( const vector< double > & coeffs )

Set the array of 9 polynomial coefficients.

Definition at line 33 of file Nasa9Poly1.cpp.

◆ reportType()

int reportType ( ) const

overridevirtual

Returns an integer representing the type of parameterization.

Reimplemented from SpeciesThermoInterpType.

Definition at line 42 of file Nasa9Poly1.cpp.

◆ temperaturePolySize()

size_t temperaturePolySize ( ) const

inlineoverridevirtual

Number of terms in the temperature polynomial for this parameterization.

Reimplemented from SpeciesThermoInterpType.

Definition at line 79 of file Nasa9Poly1.h.

◆ updateTemperaturePoly()

void updateTemperaturePoly	(	double	T,
		double *	T_poly
	)		const

overridevirtual

Given the temperature T, compute the terms of the temperature polynomial T_poly.

Reimplemented from SpeciesThermoInterpType.

Definition at line 47 of file Nasa9Poly1.cpp.

◆ updateProperties()

void updateProperties	(	const double *	tt,
		double *	cp_R,
		double *	h_RT,
		double *	s_R
	)		const

overridevirtual

Update the properties for this species, given a temperature polynomial.

This method is called with a pointer to an array containing the functions of temperature needed by this parameterization, and three pointers to arrays where the computed property values should be written. This method updates only one value in each array.

The form and length of the Temperature Polynomial may vary depending on the parameterization.

Parameters

tt	vector of evaluated temperature functions
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).

Temperature Polynomial:

tt[0] = t;
tt[1] = t*t;
tt[2] = t*t*t;
tt[3] = t*t*t*t;
tt[4] = 1.0/t;
tt[5] = 1.0/(t*t);
tt[6] = std::log(t);

Reimplemented from SpeciesThermoInterpType.

Definition at line 58 of file Nasa9Poly1.cpp.

◆ updatePropertiesTemp()

void updatePropertiesTemp	(	const double	temp,
		double *	cp_R,
		double *	h_RT,
		double *	s_R
	)		const

overridevirtual

Compute the reference-state property of one 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, of the species.

Parameters

temp	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 SpeciesThermoInterpType.

Definition at line 82 of file Nasa9Poly1.cpp.

◆ reportParameters()

void reportParameters	(	size_t &	n,
		int &	type,
		double &	tlow,
		double &	thigh,
		double &	pref,
		double *const	coeffs
	)		const

overridevirtual

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

All parameters are output variables

Parameters

n	Species index
type	Integer type of the standard type
tlow	output - Minimum temperature
thigh	output - Maximum temperature
pref	output - reference pressure (Pa).
coeffs	Vector of coefficients used to set the parameters for the standard state. There are 12 of them, designed to be compatible with the multiple temperature formulation. coeffs[0] is equal to one. coeffs[1] is min temperature coeffs[2] is max temperature coeffs[3+i] from i =0,9 are the coefficients themselves

Reimplemented from SpeciesThermoInterpType.

Definition at line 90 of file Nasa9Poly1.cpp.

◆ getParameters()

void getParameters ( AnyMap & thermo ) const

overridevirtual

Store the parameters of the species thermo object such that an identical species thermo object could be reconstructed using the newSpeciesThermo() function.

Reimplemented from SpeciesThermoInterpType.

Definition at line 106 of file Nasa9Poly1.cpp.

Member Data Documentation

◆ m_coeff

vector<double> m_coeff

protected

array of polynomial coefficients

Definition at line 125 of file Nasa9Poly1.h.

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

Detailed Description

Public Member Functions

Protected Attributes

Additional Inherited Members

Constructor & Destructor Documentation

◆ Nasa9Poly1() [1/2]

◆ Nasa9Poly1() [2/2]

Member Function Documentation

◆ setParameters()

◆ reportType()

◆ temperaturePolySize()

◆ updateTemperaturePoly()

◆ updateProperties()

◆ updatePropertiesTemp()

◆ reportParameters()

◆ getParameters()

Member Data Documentation

◆ m_coeff