Cantera
3.0.0
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A constant-heat capacity species thermodynamic property manager class. More...
#include <ConstCpPoly.h>
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. | |
ConstCpPoly | ( | ) |
Definition at line 17 of file ConstCpPoly.cpp.
ConstCpPoly | ( | double | tlow, |
double | thigh, | ||
double | pref, | ||
const double * | coeffs | ||
) |
Constructor with all input data.
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.
void setParameters | ( | double | t0, |
double | h0, | ||
double | s0, | ||
double | cp0 | ||
) |
Set ConstCpPoly 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.
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inlineoverridevirtual |
Returns an integer representing the type of parameterization.
Reimplemented from SpeciesThermoInterpType.
Definition at line 69 of file ConstCpPoly.h.
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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.
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:
Reimplemented from SpeciesThermoInterpType.
Definition at line 38 of file ConstCpPoly.cpp.
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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.
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.
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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.
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overridevirtual |
This utility function returns the type of parameterization and all of the parameters for the species.
All parameters are output variables
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.
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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.
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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.
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]. |
Reimplemented from SpeciesThermoInterpType.
Definition at line 87 of file ConstCpPoly.cpp.
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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.
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.
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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.
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protected |
Base temperature.
Definition at line 99 of file ConstCpPoly.h.
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protected |
Dimensionless value of the heat capacity.
Definition at line 101 of file ConstCpPoly.h.
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protected |
dimensionless value of the enthalpy at t0
Definition at line 103 of file ConstCpPoly.h.
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Dimensionless value of the entropy at t0.
Definition at line 105 of file ConstCpPoly.h.
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protected |
log of the t0 value
Definition at line 107 of file ConstCpPoly.h.
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protected |
Original value of h0_R, restored by calling resetHf298()
Definition at line 109 of file ConstCpPoly.h.