A constant-heat capacity species thermodynamic property manager class. More...

#include <ConstCpPoly.h>

Inheritance diagram for ConstCpPoly:

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 the species.

\[ \hat{c}_p^\circ(T) = \hat{c}_p^\circ(T^\circ) \]

\[ \hat{h}^\circ(T) = \hat{h}^\circ\left(T_0\right) + \hat{c}_p^\circ \left(T-T^\circ\right) \]

\[ \hat{s}^\circ(T) = \hat{s}^\circ(T_0) + \hat{c}_p^\circ \ln{\left(\frac{T}{T^\circ}\right)} \]

This parameterization takes 4 input values \( T^\circ \), \( \hat{h}^\circ(T^\circ) \), \( \hat{s}^\circ(T^\circ) \) and \( \hat{c}_p^\circ(T^\circ) \), see setParameters(). The default value of \( T^\circ \) is 298.15 K; the default value for the other parameters is 0.0.

Definition at line 44 of file ConstCpPoly.h.

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

void	setParameters (double t0, double h0, double s0, double cp0)
	Set ConstCpPoly parameters.

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

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.

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

void	reportParameters (size_t &n, int &type, double &tlow, double &thigh, double &pref, double *const coeffs) const override
	This utility function returns 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.

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

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

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

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
double	m_t0 = 298.15
	Base temperature.

double	m_cp0_R = 0.0
	Dimensionless value of the heat capacity.

double	m_h0_R = 0.0
	dimensionless value of the enthalpy at t0

double	m_s0_R = 0.0
	Dimensionless value of the entropy at t0.

double	m_logt0 = log(298.15)
	log of the t0 value

double	m_h0_R_orig = 0.0
	Original value of h0_R, restored by calling resetHf298()

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

◆ ConstCpPoly() [1/2]

ConstCpPoly ( )

Definition at line 17 of file ConstCpPoly.cpp.

◆ ConstCpPoly() [2/2]

ConstCpPoly	(	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 for species n. Contains 4 parameters in the order of setParameters() arguments.

Definition at line 22 of file ConstCpPoly.cpp.

Member Function Documentation

◆ setParameters()

void setParameters	(	double	t0,
		double	h0,
		double	s0,
		double	cp0
	)

Set ConstCpPoly parameters.

Parameters

t0	\( T^\circ \) [K]
h0	\( \hat{h}^\circ(T^\circ) \) [J/kmol]
s0	\( \hat{s}^\circ(T^\circ) \) [J/kmol/K]
cp0	\( \hat{c}_p^\circ(T^\circ) \) [J/kmol/K]

Definition at line 29 of file ConstCpPoly.cpp.

◆ reportType()

int reportType ( ) const

inlineoverridevirtual

Returns an integer representing the type of parameterization.

Reimplemented from SpeciesThermoInterpType.

Definition at line 69 of file ConstCpPoly.h.

◆ 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).

Form and Length of the temperature polynomial:

m_t[0] = tt;

Reimplemented from SpeciesThermoInterpType.

Definition at line 38 of file ConstCpPoly.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 51 of file ConstCpPoly.cpp.

◆ nCoeffs()

size_t nCoeffs ( ) const

inlineoverridevirtual

This utility function returns the number of coefficients for a given type of species parameterization.

Reimplemented from SpeciesThermoInterpType.

Definition at line 86 of file ConstCpPoly.h.

◆ reportParameters()

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

overridevirtual

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

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.

Reimplemented from SpeciesThermoInterpType.

Definition at line 63 of file ConstCpPoly.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 77 of file ConstCpPoly.cpp.

◆ reportHf298()

double reportHf298 ( double *const h298 = nullptr ) const

overridevirtual

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

Reimplemented from SpeciesThermoInterpType.

Definition at line 87 of file ConstCpPoly.cpp.

◆ modifyOneHf298()

void modifyOneHf298	(	const size_t	k,
		const double	Hf298New
	)

overridevirtual

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

k	Species k
Hf298New	Specify the new value of the Heat of Formation at 298K and 1 bar

Reimplemented from SpeciesThermoInterpType.

Definition at line 97 of file ConstCpPoly.cpp.

◆ resetHf298()

void resetHf298 ( )

overridevirtual

Restore the original heat of formation for this species.

Resets changes made by modifyOneHf298().

Reimplemented from SpeciesThermoInterpType.

Definition at line 104 of file ConstCpPoly.cpp.

Member Data Documentation

◆ m_t0

double m_t0 = 298.15

protected

Base temperature.

Definition at line 99 of file ConstCpPoly.h.

◆ m_cp0_R

double m_cp0_R = 0.0

protected

Dimensionless value of the heat capacity.

Definition at line 101 of file ConstCpPoly.h.

◆ m_h0_R

double m_h0_R = 0.0

protected

dimensionless value of the enthalpy at t0

Definition at line 103 of file ConstCpPoly.h.

◆ m_s0_R

double m_s0_R = 0.0

protected

Dimensionless value of the entropy at t0.

Definition at line 105 of file ConstCpPoly.h.

◆ m_logt0

double m_logt0 = log(298.15)

protected

log of the t0 value

Definition at line 107 of file ConstCpPoly.h.

◆ m_h0_R_orig

double m_h0_R_orig = 0.0

protected

Original value of h0_R, restored by calling resetHf298()

Definition at line 109 of file ConstCpPoly.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

◆ ConstCpPoly() [1/2]

◆ ConstCpPoly() [2/2]

Member Function Documentation

◆ setParameters()

◆ reportType()

◆ updateProperties()

◆ updatePropertiesTemp()

◆ nCoeffs()

◆ reportParameters()

◆ getParameters()

◆ reportHf298()

◆ modifyOneHf298()

◆ resetHf298()

Member Data Documentation

◆ m_t0

◆ m_cp0_R

◆ m_h0_R

◆ m_s0_R

◆ m_logt0

◆ m_h0_R_orig