Cantera 2.6.0

Public Member Functions | Protected Attributes | List of all members
NasaPoly1 Class Reference
Models of Phases of Matter » Thermodynamic Properties » Species Reference-State Thermodynamic Properties

The NASA polynomial parameterization for one temperature range. More...

`#include <NasaPoly1.h>`

Inheritance diagram for NasaPoly1:
[legend]
Collaboration diagram for NasaPoly1:
[legend]

## Public Member Functions
| NasaPoly1 (double tlow, double thigh, double pref, const double *coeffs)
| Constructor with all input data. More...
void | setParameters (const vector_fp &coeffs)
| Set array of 7 polynomial coefficients. More...
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...
virtual 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...
virtual void | updatePropertiesTemp (const doublereal temp, doublereal *cp_R, doublereal *h_RT, doublereal *s_R) const
| Compute the reference-state property of one species. More...
virtual void | reportParameters (size_t &n, int &type, doublereal &tlow, doublereal &thigh, doublereal &pref, doublereal *const coeffs) const
| This utility function returns the type of parameterization and all of the parameters for the species. More...
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. More...
virtual 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...
virtual 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...
virtual void | resetHf298 ()
| Restore the original heat of formation for this species. More...
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 doublereal | minTemp () const
| Returns the minimum temperature that the thermo parameterization is valid. More...
virtual void | setMinTemp (double Tmin)
| Set the minimum temperature at which the thermo parameterization is valid. More...
virtual doublereal | maxTemp () const
| Returns the maximum temperature that the thermo parameterization is valid. More...
virtual void | setMaxTemp (double Tmax)
| Set the maximum temperature at which the thermo parameterization is valid. More...
virtual doublereal | refPressure () const
| Returns the reference pressure (Pa) More...
virtual void | setRefPressure (double Pref)
| Set the reference pressure [Pa]. More...
virtual void | validate (const std::string &name)
| Check for problems with the parameterization, and generate warnings or throw and exception if any are found. More...
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...
virtual 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...
virtual void | updatePropertiesTemp (const doublereal temp, doublereal *cp_R, doublereal *h_RT, doublereal *s_R) const
| Compute the reference-state property of one species. More...
virtual size_t | nCoeffs () const
| This utility function returns the number of coefficients for a given type of species parameterization. More...
virtual void | reportParameters (size_t &index, int &type, doublereal &minTemp, doublereal &maxTemp, doublereal &refPressure, doublereal *const coeffs) const
| This utility function returns the type of parameterization and all of the parameters for the species. More...
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. More...
virtual 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...
virtual 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...
virtual void | resetHf298 ()
| Restore the original heat of formation for this species. More...
const AnyMap & | input () const
| Access input data associated with the species thermo definition. More...
AnyMap & | input ()

## Protected Attributes
vector_fp | m_coeff
| array of polynomial coefficients, stored in the order [a0, ..., a6] More...
double | m_coeff5_orig
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...
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. More...

## Detailed Description

The NASA polynomial parameterization for one temperature range.

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 \( T \) :

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

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

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

Definition at line 47 of file NasaPoly1.h.

## Constructor & Destructor Documentation

## ◆ NasaPoly1() [1/2]

NasaPoly1 | ( |  | ) |
| inline

Definition at line 50 of file NasaPoly1.h.

## ◆ NasaPoly1() [2/2]

NasaPoly1 | ( | double | tlow,
|  | double | thigh,
|  | double | pref,
|  | const double * | coeffs
| ) |  |
| inline

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, in the order [a0,a1,a2,a3,a4,a5,a6]

Definition at line 60 of file NasaPoly1.h.

References NasaPoly1::m_coeff.

## Member Function Documentation

## ◆ setParameters()

void setParameters | ( | const vector_fp & | coeffs | ) |
| inline

Set array of 7 polynomial coefficients.

Definition at line 68 of file NasaPoly1.h.

References NasaPoly1::m_coeff.

## ◆ reportType()

virtual int reportType | ( |  | ) | const
| inline virtual

Returns an integer representing the type of parameterization.

Reimplemented from SpeciesThermoInterpType.

Definition at line 77 of file NasaPoly1.h.

References NASA1.

## ◆ temperaturePolySize()

virtual size_t temperaturePolySize | ( |  | ) | const
| inline virtual

Number of terms in the temperature polynomial for this parameterization.

Reimplemented from SpeciesThermoInterpType.

Definition at line 81 of file NasaPoly1.h.

## ◆ updateTemperaturePoly()

virtual void updateTemperaturePoly | ( | double | T,
|  | double * | T_poly
| ) |  | const
| inline virtual

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

Reimplemented from SpeciesThermoInterpType.

Definition at line 83 of file NasaPoly1.h.

Referenced by NasaPoly1::reportHf298(), and NasaPoly1::updatePropertiesTemp().

## ◆ updateProperties()

virtual void updateProperties | ( | const doublereal * | tt,
|  | doublereal * | cp_R,
|  | doublereal * | h_RT,
|  | doublereal * | s_R
| ) |  | const
| inline virtual

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 103 of file NasaPoly1.h.

References NasaPoly1::m_coeff.

Referenced by NasaPoly2::updateProperties(), and NasaPoly1::updatePropertiesTemp().

## ◆ updatePropertiesTemp()

virtual void updatePropertiesTemp | ( | const doublereal | temp,
|  | doublereal * | cp_R,
|  | doublereal * | h_RT,
|  | doublereal * | s_R
| ) |  | const
| inline virtual

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 124 of file NasaPoly1.h.

References NasaPoly1::updateProperties(), and NasaPoly1::updateTemperaturePoly().

Referenced by NasaPoly2::updatePropertiesTemp().

## ◆ reportParameters()

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

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 132 of file NasaPoly1.h.

## ◆ getParameters()

virtual void getParameters | ( | AnyMap & | thermo | ) | const
| inline virtual

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 144 of file NasaPoly1.h.

References NasaPoly1::m_coeff.

## ◆ reportHf298()

virtual doublereal reportHf298 | ( | doublereal *const | h298 = `0` | ) | const
| inline virtual

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 150 of file NasaPoly1.h.

References Cantera::GasConstant, NasaPoly1::m_coeff, and NasaPoly1::updateTemperaturePoly().

Referenced by NasaPoly1::modifyOneHf298(), NasaPoly2::modifyOneHf298(), and NasaPoly2::reportHf298().

## ◆ modifyOneHf298()

virtual void modifyOneHf298 | ( | const size_t | k,
|  | const doublereal | Hf298New
| ) |  |
| inline virtual

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 170 of file NasaPoly1.h.

References Cantera::GasConstant, NasaPoly1::m_coeff, and NasaPoly1::reportHf298().

Referenced by NasaPoly2::modifyOneHf298().

## ◆ resetHf298()

virtual void resetHf298 | ( |  | ) |
| inline virtual

Restore the original heat of formation for this species.

Resets changes made by modifyOneHf298().

Reimplemented from SpeciesThermoInterpType.

Definition at line 176 of file NasaPoly1.h.

References NasaPoly1::m_coeff.

Referenced by NasaPoly2::resetHf298().

## Member Data Documentation

## ◆ m_coeff

vector_fp m_coeff
| protected

array of polynomial coefficients, stored in the order [a0, ..., a6]

Definition at line 182 of file NasaPoly1.h.

Referenced by NasaPoly1::getParameters(), NasaPoly1::modifyOneHf298(), NasaPoly1::NasaPoly1(), NasaPoly1::reportHf298(), NasaPoly1::resetHf298(), NasaPoly1::setParameters(), and NasaPoly1::updateProperties().

## ◆ m_coeff5_orig

double m_coeff5_orig
| protected

Definition at line 184 of file NasaPoly1.h.

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

- NasaPoly1.h