An adsorbed surface species. More...

#include <AdsorbateThermo.h>

Inheritance diagram for Adsorbate:

Collaboration diagram for Adsorbate:

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

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

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

virtual SpeciesThermoInterpType *	duplMyselfAsSpeciesThermoInterpType () const
	duplicator More...

virtual void	install (const std::string &name, size_t index, int type, const doublereal *c, doublereal minTemp_, doublereal maxTemp_, doublereal refPressure_)

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

Public Member Functions inherited from SpeciesThermoInterpType
	SpeciesThermoInterpType ()
	Constructor. More...

	SpeciesThermoInterpType (size_t n, doublereal tlow, doublereal thigh, doublereal pref)
	Constructor. More...

virtual	~SpeciesThermoInterpType ()
	Destructor. More...

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

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

Protected Member Functions
doublereal	_energy_RT (double T) const

doublereal	_free_energy_RT (double T) const

doublereal	_entropy_R (double T) const

Protected Attributes
size_t	m_nFreqs

vector_fp	m_freq
	array of vib frequencies More...

doublereal	m_be

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

An adsorbed surface species.

This class is designed specifically for use by the class GeneralSpeciesThermo. It implements a model for the thermodynamic properties of a molecule that can be modeled as a set of independent quantum harmonic oscillators.

Definition at line 30 of file AdsorbateThermo.h.

Constructor & Destructor Documentation

Adsorbate ( )

inline

Empty constructor.

Definition at line 35 of file AdsorbateThermo.h.

Referenced by Adsorbate::duplMyselfAsSpeciesThermoInterpType().

Adsorbate	(	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).

Definition at line 46 of file AdsorbateThermo.h.

References Adsorbate::m_freq.

Adsorbate ( const Adsorbate & b )

inline

Copy Constructor.

Definition at line 57 of file AdsorbateThermo.h.

References Adsorbate::m_freq.

Member Function Documentation

virtual SpeciesThermoInterpType* duplMyselfAsSpeciesThermoInterpType ( ) const

inlinevirtual

duplicator

Implements SpeciesThermoInterpType.

Definition at line 65 of file AdsorbateThermo.h.

References Adsorbate::Adsorbate().

virtual void install	(	const std::string &	name,
		size_t	index,
		int	type,
		const doublereal *	c,
		doublereal	minTemp_,
		doublereal	maxTemp_,
		doublereal	refPressure_
	)

inlinevirtual

Deprecated:: Not a member of the base class

Definition at line 71 of file AdsorbateThermo.h.

References Adsorbate::m_freq, SpeciesThermoInterpType::m_highT, SpeciesThermoInterpType::m_index, SpeciesThermoInterpType::m_lowT, SpeciesThermoInterpType::m_Pref, and Cantera::warn_deprecated().

virtual int reportType ( ) const

inlinevirtual

Returns an integer representing the type of parameterization.

Implements SpeciesThermoInterpType.

Definition at line 87 of file AdsorbateThermo.h.

References ADSORBATE.

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 91 of file AdsorbateThermo.h.

References SpeciesThermoInterpType::m_index.