Cantera  3.0.0
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A constant-heat capacity species thermodynamic property manager class. More...

#include <ConstCpPoly.h>

Inheritance diagram for ConstCpPoly:
[legend]

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
 
SpeciesThermoInterpTypeoperator= (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 AnyMapinput () const
 Access input data associated with the species thermo definition.
 
AnyMapinput ()
 

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]

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
tlowMinimum temperature
thighMaximum temperature
prefreference pressure (Pa).
coeffsVector 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
ttvector of evaluated temperature functions
cp_RVector of Dimensionless heat capacities. (length m_kk).
h_RTVector of Dimensionless enthalpies. (length m_kk).
s_RVector 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
tempTemperature (Kelvin)
cp_RVector of Dimensionless heat capacities. (length m_kk).
h_RTVector of Dimensionless enthalpies. (length m_kk).
s_RVector 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
indexSpecies index
typeInteger type of the standard type
minTempoutput - Minimum temperature
maxTempoutput - Maximum temperature
refPressureoutput - reference pressure (Pa).
coeffsVector 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
h298If 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
kSpecies k
Hf298NewSpecify 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: