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

#include <SimpleThermo.h>

Inheritance diagram for SimpleThermo:

Collaboration diagram for SimpleThermo:

Public Member Functions
	SimpleThermo ()
	Constructor.
virtual	~SimpleThermo ()
	Destructor.
	SimpleThermo (const SimpleThermo &right)
	Copy constructor.
SimpleThermo &	operator= (const SimpleThermo &right)
	Assignment operator.
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 (doublereal t, doublereal cp_R, doublereal h_RT, doublereal *s_R) const
	Compute the reference-state properties for all 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 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
map< int, int >	m_loc
	Mapping between the species index and the vector index where the coefficients are kept.
vector_int	m_index
	Map between the vector index where the coefficients are kept and the species index.
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).
vector_fp	m_t0
	Vector of base temperatures (kelvin).
vector_fp	m_logt0
	Vector of base log temperatures (kelvin).
vector_fp	m_h0_R
	Vector of base dimensionless Enthalpies.
vector_fp	m_s0_R
	Vector of base dimensionless Entropies.
vector_fp	m_cp0_R
	Vector of base dimensionless heat capacities.
doublereal	m_p0
	Reference pressure (Pa).
int	m_nspData
	Number of species data points in the object.

Detailed Description

A constant-heat capacity species thermodynamic property manager class. This makes the assumption that the heat capacity is a constant. Then, the following relations are used to complete the specification of the thermodynamic functions for each species in the phase.

$\frac{c_p(T)}{R} = Cp0\_R$

$\frac{h^0(T)}{RT} = \frac{1}{T} * (h0\_R + (T - T_0) * Cp0\_R)$

$\frac{s^0(T)}{R} = (s0\_R + (log(T) - log(T_0)) * Cp0\_R)$

This parameterization takes 4 input values. These are:

c[0] = (Kelvin)
c[1] = $H_k^o(T_0, p_{ref})$ (J/kmol)
c[2] = $S_k^o(T_0, p_{ref})$ (J/kmol K)
c[3] = ${Cp}_k^o(T_0, p_{ref})$ (J(kmol K)

All species must have the same reference pressure. The single-species standard-state property Manager ConstCpPoly has the same parameterization as the SimpleThermo class does.

See also:: ConstCpPoly

Definition at line 50 of file SimpleThermo.h.

Constructor & Destructor Documentation

SimpleThermo ( ) [inline]

Constructor.

Definition at line 62 of file SimpleThermo.h.

Referenced by SimpleThermo::duplMyselfAsSpeciesThermo().

virtual ~SimpleThermo ( ) [inline, virtual]

Destructor.

Definition at line 70 of file SimpleThermo.h.

SimpleThermo ( const SimpleThermo & right ) [inline]

Copy constructor.

Parameters:

right

Object to be copied

Definition at line 76 of file SimpleThermo.h.

References SimpleThermo::operator=().

Member Function Documentation

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 124 of file SimpleThermo.h.

References SimpleThermo::SimpleThermo().

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	String name of the species
	index	Species index, k
	type	int flag specifying the type of parameterization to be installed.
	c	Vector of coefficients for the parameterization. There are 4 coefficients. The values (and units) are the following c[0] = (Kelvin) c[1] = $H_k^o(T_0, p_{ref})$ (J/kmol) c[2] = $S_k^o(T_0, p_{ref})$ (J/kmol K) c[3] = ${Cp}_k^o(T_0, p_{ref})$ (J(kmol K)
	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:: ConstCpPoly

Definition at line 153 of file SimpleThermo.h.

References Cantera::fp2str(), Cantera::GasConstant, SimpleThermo::m_cp0_R, SimpleThermo::m_h0_R, SimpleThermo::m_index, SimpleThermo::m_loc, SimpleThermo::m_logt0, SimpleThermo::m_nspData, SimpleThermo::m_p0, SimpleThermo::m_s0_R, SimpleThermo::m_t0, SimpleThermo::m_thigh, SimpleThermo::m_thigh_min, SimpleThermo::m_tlow, SimpleThermo::m_tlow_max, 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 197 of file SimpleThermo.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 277 of file SimpleThermo.h.

References SimpleThermo::m_loc, SimpleThermo::m_thigh, and SimpleThermo::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 260 of file SimpleThermo.h.

References SimpleThermo::m_loc, SimpleThermo::m_tlow, and SimpleThermo::m_tlow_max.

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

Modify parameters for the standard state.

The thermo parameterization for a single species is overwritten.

Parameters:

	index	Species index
	c	Vector of coefficients used to set the parameters for the standard state. Must be length >= 4.

Implements SpeciesThermo.

Definition at line 349 of file SimpleThermo.h.

References Cantera::GasConstant, SimpleThermo::m_cp0_R, SimpleThermo::m_h0_R, SimpleThermo::m_loc, SimpleThermo::m_s0_R, and SimpleThermo::m_t0.

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

Assignment operator.

Parameters:

right

Object to be copied

Definition at line 92 of file SimpleThermo.h.

References SimpleThermo::m_cp0_R, SimpleThermo::m_h0_R, SimpleThermo::m_index, SimpleThermo::m_loc, SimpleThermo::m_logt0, SimpleThermo::m_nspData, SimpleThermo::m_p0, SimpleThermo::m_s0_R, SimpleThermo::m_t0, SimpleThermo::m_thigh, SimpleThermo::m_thigh_min, SimpleThermo::m_tlow, and SimpleThermo::m_tlow_max.

Referenced by SimpleThermo::SimpleThermo().

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 297 of file SimpleThermo.h.

References SimpleThermo::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 SimpleThermo object, there are 4 coefficients.
	minTemp	output - Minimum temperature
	maxTemp	output - Maximum temperature
	refPressure	output - reference pressure (Pa).

Implements SpeciesThermo.

Definition at line 322 of file SimpleThermo.h.

References Cantera::GasConstant, SimpleThermo::m_cp0_R, SimpleThermo::m_h0_R, SimpleThermo::m_loc, SimpleThermo::m_p0, SimpleThermo::m_s0_R, SimpleThermo::m_t0, SimpleThermo::m_thigh, SimpleThermo::m_tlow, SimpleThermo::reportType(), and SIMPLE.

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 305 of file SimpleThermo.h.

References SIMPLE.

Referenced by SimpleThermo::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 216 of file SimpleThermo.h.

References SimpleThermo::m_cp0_R, SimpleThermo::m_h0_R, SimpleThermo::m_index, SimpleThermo::m_logt0, SimpleThermo::m_nspData, SimpleThermo::m_s0_R, and SimpleThermo::m_t0.

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 240 of file SimpleThermo.h.

References SimpleThermo::m_cp0_R, SimpleThermo::m_h0_R, SimpleThermo::m_loc, SimpleThermo::m_logt0, SimpleThermo::m_s0_R, and SimpleThermo::m_t0.

Member Data Documentation

const int ID

Initialized to the type of parameterization.

A Note, this value is used in some template functions. For this object the value is SIMPLE.

Definition at line 59 of file SimpleThermo.h.

vector_fp m_cp0_R [protected]

Vector of base dimensionless heat capacities.

Length is equal to the number of species data points

Definition at line 440 of file SimpleThermo.h.

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

vector_fp m_h0_R [protected]

Vector of base dimensionless Enthalpies.

Length is equal to the number of species data points

Definition at line 428 of file SimpleThermo.h.

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

vector_int m_index [protected]

Map between the vector index where the coefficients are kept and the species index.

Length is equal to the number of dataPoints. kspec = m_index[indexData]

Definition at line 392 of file SimpleThermo.h.

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

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

Mapping between the species index and the vector index where the coefficients are kept.

This object doesn't have a one-to one correspondence between the species index, kspec, and the data location index,indexData, m_cp0_R[indexData]. This index keeps track of it. indexData = m_loc[kspec]

Definition at line 385 of file SimpleThermo.h.

Referenced by SimpleThermo::install(), SimpleThermo::maxTemp(), SimpleThermo::minTemp(), SimpleThermo::modifyParams(), SimpleThermo::operator=(), SimpleThermo::reportParams(), and SimpleThermo::update_one().