ShomatePoly Class Reference
[Species Reference-State Thermodynamic Properties]

The Shomate polynomial parameterization for one temperature range for one species. More...

#include <ShomatePoly.h>

Inheritance diagram for ShomatePoly:

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Collaboration diagram for ShomatePoly:

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List of all members.

Public Member Functions
	ShomatePoly ()
	Empty constructor.
	ShomatePoly (int n, doublereal tlow, doublereal thigh, doublereal pref, const doublereal *coeffs)
	Constructor used in templated instantiations.
	ShomatePoly (const ShomatePoly &b)
	copy constructor
ShomatePoly &	operator= (const ShomatePoly &b)
	Assignment operator.
virtual	~ShomatePoly ()
	Destructor.
virtual SpeciesThermoInterpType *	duplMyselfAsSpeciesThermoInterpType () const
	Duplicator from the base class.
virtual doublereal	minTemp () const
	Returns the minimum temperature that the thermo parameterization is valid.
virtual doublereal	maxTemp () const
	Returns the maximum temperature that the thermo parameterization is valid.
virtual doublereal	refPressure () const
	Returns the reference pressure (Pa).
virtual int	reportType () const
	Returns an integer representing the type of parameterization.
virtual int	speciesIndex () const
	Returns an integer representing the species index.
virtual 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.
virtual void	updatePropertiesTemp (const doublereal temp, doublereal cp_R, doublereal h_RT, doublereal *s_R) const
	Compute the reference-state property of one species.
virtual void	reportParameters (int &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.
virtual void	modifyParameters (doublereal *coeffs)
	Modify parameters for the standard state.
Protected Attributes
doublereal	m_lowT
	Minimum temperature for which the parameterization is valid (Kelvin).
doublereal	m_highT
	Maximum temperature for which the parameterization is valid (Kelvin).
doublereal	m_Pref
	Reference pressure (Pa).
array_fp	m_coeff
	Array of coeffcients.
int	m_index
	Species Index.

Detailed Description

The Shomate polynomial parameterization for one temperature range for one species.

Seven coefficients $(A,\dots,G)$ are used to represent $ c_p^0(T)$ , $ h^0(T)$ , and $ s^0(T) $ as polynomials in the temperature, $ T $ :

$\tilde{c}_p^0(T) = A + B t + C t^2 + D t^3 + \frac{E}{t^2}$

$\tilde{h}^0(T) = A t + \frac{B t^2}{2} + \frac{C t^3}{3} + \frac{D t^4}{4} - \frac{E}{t} + F.$

$\tilde{s}^0(T) = A\ln t + B t + \frac{C t^2}{2} + \frac{D t^3}{3} - \frac{E}{2t^2} + G.$

In the above expressions, the thermodynamic polynomials are expressed in dimensional units, but the temperature, $ t $ , is divided by 1000. The following dimensions are assumed in the above expressions:

$\tilde{c}_p^0(T)$ = Heat Capacity (J/gmol*K)
$\tilde{h}^0(T)$ = standard Enthalpy (kJ/gmol)
$\tilde{s}^0(T)$ = standard Entropy (J/gmol*K)
= temperature (K) / 1000.

For more information about Shomate polynomials, see the NIST website, http://webbook.nist.gov/

Before being used within Cantera, the dimensions must be adjusted to those used by Cantera (i.e., Joules and kmol).

Definition at line 65 of file ShomatePoly.h.

Constructor & Destructor Documentation

ShomatePoly ( ) [inline]

Empty constructor.

Definition at line 70 of file ShomatePoly.h.

Referenced by ShomatePoly::duplMyselfAsSpeciesThermoInterpType().

ShomatePoly	(	int	n,
		doublereal	tlow,
		doublereal	thigh,
		doublereal	pref,
		const doublereal *	coeffs
	)			`[inline]`

Constructor used in templated instantiations.

Parameters:

	n	Species index
	tlow	Minimum temperature
	thigh	Maximum temperature
	pref	reference pressure (Pa).
	coeffs	Vector of coefficients used to set the parameters for the standard state for species n. There are 7 coefficients for the Shomate polynomial: c[0] = c[1] = c[2] = c[3] = c[4] = c[5] = c[6] =

See the class description for the polynomial representation of the thermo functions in terms of $A, \dots, G$ .

Definition at line 94 of file ShomatePoly.h.

References ShomatePoly::m_coeff.

ShomatePoly ( const ShomatePoly & b ) [inline]

copy constructor

Parameters:

b

object to be copied

Definition at line 108 of file ShomatePoly.h.

References ShomatePoly::m_coeff.

virtual ~ShomatePoly ( ) [inline, virtual]

Destructor.

Definition at line 138 of file ShomatePoly.h.

Member Function Documentation

virtual SpeciesThermoInterpType* duplMyselfAsSpeciesThermoInterpType ( ) const [inline, virtual]

Duplicator from the base class.

Implements SpeciesThermoInterpType.

Definition at line 142 of file ShomatePoly.h.

References ShomatePoly::ShomatePoly().

virtual doublereal maxTemp ( ) const [inline, virtual]

Returns the maximum temperature that the thermo parameterization is valid.

Implements SpeciesThermoInterpType.

Definition at line 153 of file ShomatePoly.h.

References ShomatePoly::m_highT.

Referenced by ShomateThermo::modifyParams(), ShomateThermo::reportParams(), and ShomateThermo::update_one().

virtual doublereal minTemp ( ) const [inline, virtual]

Returns the minimum temperature that the thermo parameterization is valid.

Implements SpeciesThermoInterpType.

Definition at line 149 of file ShomatePoly.h.

References ShomatePoly::m_lowT.

virtual void modifyParameters ( doublereal * coeffs ) [inline, virtual]

Modify parameters for the standard state.

Parameters:

coeffs

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

Reimplemented from SpeciesThermoInterpType.

Definition at line 284 of file ShomatePoly.h.

References ShomatePoly::m_coeff.

Referenced by ShomateThermo::modifyParams().

ShomatePoly& operator= ( const ShomatePoly & b ) [inline]

Assignment operator.

Parameters:

b

Definition at line 123 of file ShomatePoly.h.

References ShomatePoly::m_coeff, ShomatePoly::m_highT, ShomatePoly::m_index, ShomatePoly::m_lowT, and ShomatePoly::m_Pref.

virtual doublereal refPressure ( ) const [inline, virtual]

Returns the reference pressure (Pa).

Implements SpeciesThermoInterpType.

Definition at line 156 of file ShomatePoly.h.

References ShomatePoly::m_Pref.

virtual void reportParameters	(	int &	n,
		int &	type,
		doublereal &	tlow,
		doublereal &	thigh,
		doublereal &	pref,
		doublereal *const	coeffs
	)			const `[inline, virtual]`

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

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.

Implements SpeciesThermoInterpType.

Definition at line 265 of file ShomatePoly.h.

References ShomatePoly::m_coeff, ShomatePoly::m_highT, ShomatePoly::m_index, ShomatePoly::m_lowT, ShomatePoly::m_Pref, and SHOMATE.

Referenced by ShomateThermo::reportParams().

virtual int reportType ( ) const [inline, virtual]

Returns an integer representing the type of parameterization.

Implements SpeciesThermoInterpType.

Definition at line 159 of file ShomatePoly.h.

References SHOMATE.

virtual int speciesIndex ( ) const [inline, virtual]

Returns an integer representing the species index.

Implements SpeciesThermoInterpType.

Definition at line 162 of file ShomatePoly.h.

References ShomatePoly::m_index.

virtual void updateProperties	(	const doublereal *	tt,
		doublereal *	cp_R,
		doublereal *	h_RT,
		doublereal *	s_R
	)			const `[inline, virtual]`

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.

tt is T/1000. m_t[0] = tt; m_t[1] = tt*tt; m_t[2] = m_t[1]*tt; m_t[3] = 1.0/m_t[1]; m_t[4] = log(tt); m_t[5] = 1.0/GasConstant; m_t[6] = 1.0/(GasConstant * 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 189 of file ShomatePoly.h.

References ShomatePoly::m_coeff, ShomatePoly::m_index, and Cantera::OneThird.

Referenced by ShomateThermo::update_one(), ShomatePoly2::updateProperties(), and ShomatePoly::updatePropertiesTemp().

virtual void updatePropertiesTemp	(	const doublereal	temp,
		doublereal *	cp_R,
		doublereal *	h_RT,
		doublereal *	s_R
	)			const `[inline, virtual]`

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).