Cantera  2.3.0

The NASA polynomial parameterization for two temperature ranges. More...

#include <NasaPoly2.h>

Inheritance diagram for NasaPoly2:
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Collaboration diagram for NasaPoly2:
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## Public Member Functions

NasaPoly2 ()
Empty constructor. More...

NasaPoly2 (doublereal tlow, doublereal thigh, doublereal pref, const doublereal *coeffs)
Full Constructor. More...

virtual SpeciesThermoInterpTypeduplMyselfAsSpeciesThermoInterpType () const

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

virtual size_t temperaturePolySize () const
Number of terms in the temperature polynomial for this parameterization. More...

virtual void updateTemperaturePoly (double T, double *T_poly) const
Given the temperature T, compute the terms of the temperature polynomial T_poly. More...

void updateProperties (const doublereal *tt, doublereal *cp_R, doublereal *h_RT, doublereal *s_R) const
Update the properties for this species, given a temperature polynomial. 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
This utility function reports back the type of parameterization and all of the parameters for the species. More...

doublereal reportHf298 (doublereal *const h298=0) const
Report the 298 K Heat of Formation of the standard state of one species (J kmol-1) More...

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

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

void validate (const std::string &name)
Check for problems with the parameterization, and generate warnings or throw and exception if any are found. More...

Public Member Functions inherited from SpeciesThermoInterpType
SpeciesThermoInterpType (double tlow, double thigh, double pref)

SpeciesThermoInterpType (const SpeciesThermoInterpType &b)

SpeciesThermoInterpTypeoperator= (const SpeciesThermoInterpType &b)

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

## Protected Attributes

doublereal m_midT
Midrange temperature. More...

NasaPoly1 mnp_low
NasaPoly1 object for the low temperature region. More...

NasaPoly1 mnp_high
NasaPoly1 object for the high temperature region. More...

vector_fp m_coeff
array of polynomial coefficients More...

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...

## Detailed Description

The NASA polynomial parameterization for two temperature ranges.

This parameterization expresses the heat capacity as a fourth-order polynomial. Note that this is the form used in the 1971 NASA equilibrium program and by the Chemkin software package, but differs from the form used in the more recent NASA equilibrium program.

Seven coefficients $$(a_0,\dots,a_6)$$ are used to represent $$c_p^0(T)$$, $$h^0(T)$$, and $$s^0(T)$$ as polynomials in $$T$$ :

$\frac{c_p(T)}{R} = a_0 + a_1 T + a_2 T^2 + a_3 T^3 + a_4 T^4$

$\frac{h^0(T)}{RT} = a_0 + \frac{a_1}{2} T + \frac{a_2}{3} T^2 + \frac{a_3}{4} T^3 + \frac{a_4}{5} T^4 + \frac{a_5}{T}.$

$\frac{s^0(T)}{R} = a_0\ln T + a_1 T + \frac{a_2}{2} T^2 + \frac{a_3}{3} T^3 + \frac{a_4}{4} T^4 + a_6.$

This class is designed specifically for use by the class MultiSpeciesThermo.

Definition at line 48 of file NasaPoly2.h.

## ◆ NasaPoly2() [1/2]

 NasaPoly2 ( )
inline

Empty constructor.

Deprecated:
Default constructor to be removed after Cantera 2.3.

Definition at line 53 of file NasaPoly2.h.

References Cantera::warn_deprecated().

Referenced by NasaPoly2::duplMyselfAsSpeciesThermoInterpType().

## ◆ NasaPoly2() [2/2]

 NasaPoly2 ( doublereal tlow, doublereal thigh, doublereal pref, const doublereal * coeffs )
inline

Full Constructor.

Parameters
 tlow output - Minimum temperature thigh output - Maximum temperature pref output - reference pressure (Pa). coeffs Vector of coefficients used to set the parameters for the standard state [Tmid, 7 high-T coeffs, 7 low-T coeffs]. This is the coefficient order used in the standard NASA format.

Definition at line 70 of file NasaPoly2.h.

## ◆ duplMyselfAsSpeciesThermoInterpType()

 virtual SpeciesThermoInterpType* duplMyselfAsSpeciesThermoInterpType ( ) const
inlinevirtual
Deprecated:
To be removed after Cantera 2.3 for all classes derived from SpeciesThermoInterpType.

Implements SpeciesThermoInterpType.

Definition at line 80 of file NasaPoly2.h.

References NasaPoly2::NasaPoly2().

## ◆ reportType()

 virtual int reportType ( ) const
inlinevirtual

Returns an integer representing the type of parameterization.

Implements SpeciesThermoInterpType.

Definition at line 85 of file NasaPoly2.h.

References NASA2.

## ◆ temperaturePolySize()

 virtual size_t temperaturePolySize ( ) const
inlinevirtual

Number of terms in the temperature polynomial for this parameterization.

Reimplemented from SpeciesThermoInterpType.

Definition at line 89 of file NasaPoly2.h.

## ◆ updateTemperaturePoly()

 virtual void updateTemperaturePoly ( double T, double * T_poly ) const
inlinevirtual

Given the temperature T, compute the terms of the temperature polynomial T_poly.

Reimplemented from SpeciesThermoInterpType.

Definition at line 91 of file NasaPoly2.h.

## ◆ updateProperties()

 void updateProperties ( const doublereal * tt, doublereal * cp_R, doublereal * h_RT, doublereal * s_R ) const
inlinevirtual

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).

Temperature Polynomial: tt[0] = t; tt[1] = t*t; tt[2] = m_t[1]*t; tt[3] = m_t[2]*t; tt[4] = 1.0/t; tt[5] = std::log(t);

Reimplemented from SpeciesThermoInterpType.

Definition at line 96 of file NasaPoly2.h.

## ◆ updatePropertiesTemp()

 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, 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).

Implements SpeciesThermoInterpType.

Definition at line 105 of file NasaPoly2.h.

## ◆ reportParameters()

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

This utility function reports back 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.

Implements SpeciesThermoInterpType.

Definition at line 116 of file NasaPoly2.h.

## ◆ reportHf298()

 doublereal reportHf298 ( doublereal *const h298 = 0 ) const
inlinevirtual

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 130 of file NasaPoly2.h.

Referenced by NasaPoly2::modifyOneHf298().

## ◆ resetHf298()

 void resetHf298 ( )
inlinevirtual

Restore the original heat of formation for this species.

Reimplemented from SpeciesThermoInterpType.

Definition at line 143 of file NasaPoly2.h.

References NasaPoly2::mnp_high, NasaPoly2::mnp_low, and NasaPoly1::resetHf298().

## ◆ modifyOneHf298()

 void modifyOneHf298 ( const size_t k, const doublereal Hf298New )
inlinevirtual

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 148 of file NasaPoly2.h.

## ◆ validate()

 void validate ( const std::string & name )
virtual

Check for problems with the parameterization, and generate warnings or throw and exception if any are found.

Reimplemented from SpeciesThermoInterpType.

Definition at line 10 of file NasaPoly2.cpp.

## ◆ m_midT

 doublereal m_midT
protected

Midrange temperature.

Definition at line 163 of file NasaPoly2.h.

## ◆ mnp_low

 NasaPoly1 mnp_low
protected

NasaPoly1 object for the low temperature region.

Definition at line 165 of file NasaPoly2.h.

## ◆ mnp_high

 NasaPoly1 mnp_high
protected

NasaPoly1 object for the high temperature region.

Definition at line 167 of file NasaPoly2.h.

## ◆ m_coeff

 vector_fp m_coeff
protected

array of polynomial coefficients

Definition at line 169 of file NasaPoly2.h.

The documentation for this class was generated from the following files: