The NASA polynomial parameterization for two temperature ranges. More...

#include <NasaPoly2.h>

Inheritance diagram for NasaPoly2:

Collaboration diagram for NasaPoly2:

Public Member Functions
	NasaPoly2 ()
	Empty constructor. More...

	NasaPoly2 (size_t n, doublereal tlow, doublereal thigh, doublereal pref, const doublereal *coeffs)
	Full Constructor. More...

	NasaPoly2 (doublereal tlow, doublereal thigh, doublereal pref, const doublereal *coeffs)
	Full Constructor. More...

	NasaPoly2 (const NasaPoly2 &b)
	Copy Constructor. More...

NasaPoly2 &	operator= (const NasaPoly2 &b)
	Assignment operator. More...

virtual SpeciesThermoInterpType *	duplMyselfAsSpeciesThermoInterpType () const

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

virtual void	setIndex (size_t index)

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

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

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

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

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

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

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

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

Public Member Functions inherited from SpeciesThermoInterpType
	SpeciesThermoInterpType (size_t n, doublereal tlow, doublereal thigh, doublereal pref)

	SpeciesThermoInterpType (double tlow, double thigh, double pref)

	SpeciesThermoInterpType (const SpeciesThermoInterpType &b)

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

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

virtual doublereal	refPressure () const
	Returns the reference pressure (Pa) More...

virtual size_t	speciesIndex () const
	Returns an integer representing the species index. More...

virtual void	modifyParameters (doublereal *coeffs)
	Modify parameters for the standard state. More...

Protected Attributes
doublereal	m_midT
	Midrange temperature. More...

NasaPoly1	mnp_low
	NasaPoly1 object for the low temperature region. More...

NasaPoly1	mnp_high
	NasaPoly1 object for the high temperature region. More...

vector_fp	m_coeff
	array of polynomial coefficients More...

Protected Attributes inherited from SpeciesThermoInterpType
doublereal	m_lowT
	lowest valid temperature More...

doublereal	m_highT
	Highest valid temperature. More...

doublereal	m_Pref
	Reference state pressure. More...

size_t	m_index
	species index More...

Detailed Description

The NASA polynomial parameterization for two temperature ranges.

This parameterization expresses the heat capacity as a fourth-order polynomial. Note that this is the form used in the 1971 NASA equilibrium program and by the Chemkin software package, but differs from the form used in the more recent NASA equilibrium program.

Seven coefficients \((a_0,\dots,a_6)\) are used to represent \( c_p^0(T)\), \( h^0(T)\), and \( s^0(T) \) as polynomials in \( T \) :

\[ \frac{c_p(T)}{R} = a_0 + a_1 T + a_2 T^2 + a_3 T^3 + a_4 T^4 \]

\[ \frac{h^0(T)}{RT} = a_0 + \frac{a_1}{2} T + \frac{a_2}{3} T^2 + \frac{a_3}{4} T^3 + \frac{a_4}{5} T^4 + \frac{a_5}{T}. \]

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

This class is designed specifically for use by the class GeneralSpeciesThermo.

Definition at line 48 of file NasaPoly2.h.

Constructor & Destructor Documentation

NasaPoly2 ( )

inline

Empty constructor.

Definition at line 52 of file NasaPoly2.h.

NasaPoly2	(	size_t	n,
		doublereal	tlow,
		doublereal	thigh,
		doublereal	pref,
		const doublereal *	coeffs
	)

inline

Full Constructor.

Parameters

n	Species index
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 [Tmid, 7 low-T coeffs, 7 high-T coeffs]

Deprecated:: Use constructor without species index. To be removed after Cantera 2.2.

Definition at line 68 of file NasaPoly2.h.

NasaPoly2	(	doublereal	tlow,
		doublereal	thigh,
		doublereal	pref,
		const doublereal *	coeffs
	)

inline

Full Constructor.

Parameters

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 [Tmid, 7 high-T coeffs, 7 low-T coeffs]. This is the coefficient order used in the standard NASA format.

Definition at line 87 of file NasaPoly2.h.

NasaPoly2 ( const NasaPoly2 & b )

inline

Copy Constructor.

Parameters

b	object to be copied.

Definition at line 100 of file NasaPoly2.h.

Member Function Documentation

NasaPoly2& operator= ( const NasaPoly2 & b )

inline

Assignment operator.

Parameters

b	object to be copied.

Definition at line 112 of file NasaPoly2.h.

References NasaPoly2::m_coeff, NasaPoly2::m_midT, NasaPoly2::mnp_high, and NasaPoly2::mnp_low.

virtual int reportType ( ) const

inlinevirtual

Returns an integer representing the type of parameterization.

Implements SpeciesThermoInterpType.

Definition at line 129 of file NasaPoly2.h.

References NASA2.

virtual void setIndex ( size_t index )

inlinevirtual

Deprecated:

Reimplemented from SpeciesThermoInterpType.

Definition at line 133 of file NasaPoly2.h.

References NasaPoly2::mnp_high, NasaPoly2::mnp_low, and SpeciesThermoInterpType::setIndex().

virtual size_t temperaturePolySize ( ) const

inlinevirtual

Number of terms in the temperature polynomial for this parameterization.

Reimplemented from SpeciesThermoInterpType.

Definition at line 139 of file NasaPoly2.h.

virtual void updateTemperaturePoly	(	double	T,
		double *	T_poly
	)		const

inlinevirtual

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

Reimplemented from SpeciesThermoInterpType.

Definition at line 141 of file NasaPoly2.h.

References NasaPoly2::mnp_low, and NasaPoly1::updateTemperaturePoly().

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

inlinevirtual

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.

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

Parameters

tt	vector of temperature polynomials
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 165 of file NasaPoly2.h.

References NasaPoly2::m_midT, NasaPoly2::mnp_high, NasaPoly2::mnp_low, and NasaPoly1::updateProperties().

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

inlinevirtual

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, Pref of one of the species. The species index is used to reference into the cp_R, h_RT, and s_R arrays.

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).

Implements SpeciesThermoInterpType.

Definition at line 174 of file NasaPoly2.h.

References NasaPoly2::m_midT, NasaPoly2::mnp_high, NasaPoly2::mnp_low, and NasaPoly1::updatePropertiesTemp().

void reportParameters	(	size_t &	index,
		int &	type,
		doublereal &	minTemp,
		doublereal &	maxTemp,
		doublereal &	refPressure,
		doublereal *const	coeffs
	)		const

inlinevirtual

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

All parameters are output variables

Parameters

index	Species index
type	Integer type of the standard type
minTemp	output - Minimum temperature
maxTemp	output - Maximum temperature
refPressure	output - reference pressure (Pa).
coeffs	Vector of coefficients used to set the parameters for the standard state.

Implements SpeciesThermoInterpType.

Definition at line 185 of file NasaPoly2.h.

References NasaPoly2::m_coeff, SpeciesThermoInterpType::m_highT, SpeciesThermoInterpType::m_index, SpeciesThermoInterpType::m_lowT, SpeciesThermoInterpType::m_Pref, and NASA2.

doublereal reportHf298 ( doublereal *const h298 = 0 ) const

inlinevirtual

Report the 298 K Heat of Formation of the standard state of one species (J kmol-1)

The 298K Heat of Formation is defined as the enthalpy change to create the standard state of the species from its constituent elements in their standard states at 298 K and 1 bar.

Parameters

h298	If this is nonnull, the current value of the Heat of Formation at 298K and 1 bar for species m_speciesIndex is returned in h298[m_speciesIndex].

Returns: Returns the current value of the Heat of Formation at 298K and 1 bar for species m_speciesIndex.

Reimplemented from SpeciesThermoInterpType.

Definition at line 199 of file NasaPoly2.h.

References SpeciesThermoInterpType::m_index, NasaPoly2::m_midT, NasaPoly2::mnp_high, NasaPoly2::mnp_low, and NasaPoly1::reportHf298().

Referenced by NasaPoly2::modifyOneHf298().

void modifyOneHf298	(	const size_t	k,
		const doublereal	Hf298New
	)

inlinevirtual

Modify the value of the 298 K Heat of Formation of one species in the phase (J kmol-1)

The 298K heat of formation is defined as the enthalpy change to create the standard state of the species from its constituent elements in their standard states at 298 K and 1 bar.

Parameters