Cantera  2.0

A species thermodynamic property manager for the NASA polynomial parameterization with two temperature ranges. More...

#include <NasaThermo.h>

Inheritance diagram for NasaThermo:
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## Public Member Functions

NasaThermo ()
constructor

NasaThermo (const NasaThermo &right)
Copy constructor.

NasaThermooperator= (const NasaThermo &right)
Assignment operator.

virtual ~NasaThermo ()
destructor

virtual SpeciesThermoduplMyselfAsSpeciesThermo () const
Duplication routine for objects which inherit from SpeciesThermo.

virtual void install (std::string name, size_t index, int type, const doublereal *c, doublereal minTemp, doublereal maxTemp, doublereal refPressure)
install a new species thermodynamic property parameterization for one species.

virtual void install_STIT (SpeciesThermoInterpType *stit_ptr)
Install a new species thermodynamic property parameterization for one species.

virtual void update_one (size_t k, doublereal t, doublereal *cp_R, doublereal *h_RT, doublereal *s_R) const
Like update(), but only updates the single species k.

virtual void update (doublereal t, doublereal *cp_R, doublereal *h_RT, doublereal *s_R) const
Compute the reference-state properties for all species.

virtual doublereal minTemp (size_t k=npos) const
Minimum temperature.

virtual doublereal maxTemp (size_t k=npos) const
Maximum temperature.

virtual doublereal refPressure (size_t k=npos) const
The reference-state pressure for species k.

virtual int reportType (size_t index) const
This utility function reports the type of parameterization used for the species with index number index.

virtual void reportParams (size_t index, int &type, doublereal *const c, doublereal &minTemp, doublereal &maxTemp, doublereal &refPressure) const

virtual void modifyParams (size_t index, doublereal *c)
Modify parameters for the standard state.

## Public Attributes

const int ID
Initialized to the type of parameterization.

## Protected Attributes

std::vector< std::vector
< NasaPoly1 > >
m_high
Vector of vector of NasaPoly1's for the high temp region.

std::vector< std::vector
< NasaPoly1 > >
m_low
Vector of vector of NasaPoly1's for the low temp region.

std::map< int, int > m_index
Map between the midpoint temperature, as an int, to the group number.

vector_fp m_tmid
Vector of log temperature limits.

doublereal m_tlow_max
Maximum value of the low temperature limit.

doublereal m_thigh_min
Minimum value of the high temperature limit.

vector_fp m_tlow
Vector of low temperature limits (species index)

vector_fp m_thigh
Vector of low temperature limits (species index)

doublereal m_p0
Reference pressure (Pa)

int m_ngroups
number of groups

vector_fp m_t
Vector of temperature polynomials.

std::map< size_t, size_t > m_group_map

std::map< size_t, size_t > m_posInGroup_map

std::map< size_t, std::string > m_name
Species name as a function of the species index.

## Private Member Functions

void checkContinuity (std::string name, double tmid, const doublereal *clow, doublereal *chigh)
see SpeciesThermoFactory.cpp for the definition

doublereal enthalpy_RT (double t, const doublereal *c)
for internal use by checkContinuity

doublereal entropy_R (double t, const doublereal *c)
for internal use by checkContinuity

## Detailed Description

A species thermodynamic property manager for the NASA polynomial parameterization with two temperature ranges.

This class is designed to efficiently evaluate the properties of a large number of species with the NASA parameterization.

The original NASA polynomial parameterization expressed the heat capacity as a fourth-order polynomial in temperature, with separate coefficients for each of two temperature ranges. (The newer NASA format adds coefficients for 1/T and 1/T^2, and allows multiple temperature ranges.) This class is designed for use with the original parameterization, which is used, for example, by the Chemkin software package.

In many cases, the midpoint temperature is the same for many species. To take advantage of this, class NasaThermo groups species with a common midpoint temperature, so that checking which range the desired temperature is in need be done only once for each group.

Note
There is a special CTML element for entering the coefficients of this parameterization.
importCTML

Definition at line 50 of file NasaThermo.h.

## Constructor & Destructor Documentation

 NasaThermo ( )
inline

constructor

Definition at line 62 of file NasaThermo.h.

References NasaThermo::m_t.

Referenced by NasaThermo::duplMyselfAsSpeciesThermo().

 NasaThermo ( const NasaThermo & right )
inline

Copy constructor.

Parameters
 right NasaThermo object to be copied.

Definition at line 75 of file NasaThermo.h.

References NasaThermo::operator=().

 virtual ~NasaThermo ( )
inlinevirtual

destructor

Definition at line 116 of file NasaThermo.h.

## Member Function Documentation

 NasaThermo& operator= ( const NasaThermo & right )
inline

Assignment operator.

Parameters
 right NasaThermo object to be copied.

Definition at line 88 of file NasaThermo.h.

Referenced by NasaThermo::NasaThermo().

 virtual SpeciesThermo* duplMyselfAsSpeciesThermo ( ) const
inlinevirtual

Duplication routine for objects which inherit from SpeciesThermo.

This virtual routine can be used to duplicate SpeciesThermo objects inherited from SpeciesThermo even if the application only has a pointer to SpeciesThermo to work with. ->commented out because we first need to add copy constructors and assignment operators to all of the derived classes.

Implements SpeciesThermo.

Definition at line 127 of file NasaThermo.h.

References NasaThermo::NasaThermo().

 virtual void install ( std::string name, size_t index, int type, const doublereal * c, doublereal minTemp, doublereal maxTemp, doublereal refPressure )
inlinevirtual

install a new species thermodynamic property parameterization for one species.

Parameters
 name Name of the species index The 'update' method will update the property values for this species at position i index in the property arrays. type int flag specifying the type of parameterization to be installed. c vector of coefficients for the parameterization. c[0] midpoint temperature c[1] - c[7] coefficients for low T range c[8] - c[14] coefficients for high T range minTemp minimum temperature for which this parameterization is valid. maxTemp maximum temperature for which this parameterization is valid. refPressure standard-state pressure for this parameterization.
speciesThermoTypes.h

Implements SpeciesThermo.

Definition at line 154 of file NasaThermo.h.

 virtual void install_STIT ( SpeciesThermoInterpType * stit_ptr )
inlinevirtual

Install a new species thermodynamic property parameterization for one species.

Parameters
 stit_ptr Pointer to the SpeciesThermoInterpType object This will set up the thermo for one species

Implements SpeciesThermo.

Definition at line 228 of file NasaThermo.h.

 virtual void update_one ( size_t k, doublereal t, doublereal * cp_R, doublereal * h_RT, doublereal * s_R ) const
inlinevirtual

Like update(), but only updates the single species k.

Parameters
 k species index t 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 SpeciesThermo.

Definition at line 245 of file NasaThermo.h.

 virtual void update ( doublereal t, doublereal * cp_R, doublereal * h_RT, doublereal * s_R ) const
inlinevirtual

Compute the reference-state properties for all 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, Pref of each of the standard states.

Parameters
 t 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 SpeciesThermo.

Definition at line 285 of file NasaThermo.h.

 virtual doublereal minTemp ( size_t k = npos ) const
inlinevirtual

Minimum temperature.

If no argument is supplied, this method returns the minimum temperature for which all parameterizations are valid. If an integer index k is supplied, then the value returned is the minimum temperature for species k in the phase.

Parameters
 k Species index

Implements SpeciesThermo.

Definition at line 323 of file NasaThermo.h.

References NasaThermo::m_tlow, NasaThermo::m_tlow_max, and Cantera::npos.

Referenced by NasaThermo::install().

 virtual doublereal maxTemp ( size_t k = npos ) const
inlinevirtual

Maximum temperature.

If no argument is supplied, this method returns the maximum temperature for which all parameterizations are valid. If an integer index k is supplied, then the value returned is the maximum temperature for parameterization k.

Parameters
 k Species index

Implements SpeciesThermo.

Definition at line 341 of file NasaThermo.h.

References NasaThermo::m_thigh, NasaThermo::m_thigh_min, and Cantera::npos.

Referenced by NasaThermo::install().

 virtual doublereal refPressure ( size_t k = npos ) const
inlinevirtual

The reference-state pressure for species k.

returns the reference state pressure in Pascals for species k. If k is left out of the argument list, it returns the reference state pressure for the first species. Note that some SpeciesThermo implementations, such as those for ideal gases, require that all species in the same phase have the same reference state pressures.

Parameters
 k Species index

Implements SpeciesThermo.

Definition at line 362 of file NasaThermo.h.

References NasaThermo::m_p0.

Referenced by NasaThermo::install().

 virtual int reportType ( size_t index ) const
inlinevirtual

This utility function reports the type of parameterization used for the species with index number index.

Parameters
 index Species index

Implements SpeciesThermo.

Definition at line 372 of file NasaThermo.h.

References NASA.

Referenced by NasaThermo::modifyParams(), and NasaThermo::reportParams().

 virtual void reportParams ( size_t index, int & type, doublereal *const c, doublereal & minTemp, doublereal & maxTemp, doublereal & refPressure ) const
inlinevirtual

This utility function reports back the type of parameterization and all of the parameters for the species, index.

Parameters
 index Species index type Integer type of the standard type c Vector of coefficients used to set the parameters for the standard state. For the NASA object, there are 15 coefficients. minTemp output - Minimum temperature maxTemp output - Maximum temperature refPressure output - reference pressure (Pa).

Implements SpeciesThermo.

Definition at line 390 of file NasaThermo.h.

 virtual void modifyParams ( size_t index, doublereal * c )
inlinevirtual

Modify parameters for the standard state.

This utility function modifies the array of coefficients. The array is the same as that returned by reportParams, so a call can first be made to reportParams to populate the array, and then modifyParams can be called to alter selected values. For the NASA object, there are 15 coefficients.

Parameters
 index Species index c Vector of coefficients used to set the parameters for the standard state.

Implements SpeciesThermo.

Definition at line 442 of file NasaThermo.h.

 void checkContinuity ( std::string name, double tmid, const doublereal * clow, doublereal * chigh )
private

see SpeciesThermoFactory.cpp for the definition

Parameters
 name string name of species tmid Mid temperature, between the two temperature regions clow coefficients for lower temperature region chigh coefficients for higher temperature region

Definition at line 243 of file SpeciesThermoFactory.cpp.

References Cantera::fp2str(), Cantera::poly4(), and Cantera::writelog().

Referenced by NasaThermo::install(), and NasaThermo::modifyParams().

 doublereal enthalpy_RT ( double t, const doublereal * c )
inlineprivate

for internal use by checkContinuity

Parameters
 t temperature c coefficient array

Definition at line 604 of file NasaThermo.h.

References Cantera::OneThird.

 doublereal entropy_R ( double t, const doublereal * c )
inlineprivate

for internal use by checkContinuity

Parameters
 t temperature c coefficient array

Definition at line 615 of file NasaThermo.h.

References Cantera::OneThird.

## Member Data Documentation

 const int ID

Initialized to the type of parameterization.

Note, this value is used in some template functions

Definition at line 59 of file NasaThermo.h.

 std::vector > m_high
protected

Vector of vector of NasaPoly1's for the high temp region.

This is the high temp region representation. The first Length is equal to the number of groups. The second vector is equal to the number of species in that particular group.

Definition at line 516 of file NasaThermo.h.

 std::vector > m_low
protected

Vector of vector of NasaPoly1's for the low temp region.

This is the low temp region representation. The first Length is equal to the number of groups. The second vector is equal to the number of species in that particular group.

Definition at line 525 of file NasaThermo.h.

 std::map m_index
protected

Map between the midpoint temperature, as an int, to the group number.

Length is equal to the number of groups. Only used in the setup.

Definition at line 531 of file NasaThermo.h.

Referenced by NasaThermo::install(), and NasaThermo::operator=().

 vector_fp m_tmid
protected

Vector of log temperature limits.

Length is equal to the number of groups.

Definition at line 537 of file NasaThermo.h.

Referenced by NasaThermo::install(), NasaThermo::operator=(), and NasaThermo::update().

 doublereal m_tlow_max
protected

Maximum value of the low temperature limit.

Definition at line 540 of file NasaThermo.h.

Referenced by NasaThermo::install(), NasaThermo::minTemp(), and NasaThermo::operator=().

 doublereal m_thigh_min
protected

Minimum value of the high temperature limit.

Definition at line 543 of file NasaThermo.h.

Referenced by NasaThermo::install(), NasaThermo::maxTemp(), and NasaThermo::operator=().

 vector_fp m_tlow
protected

Vector of low temperature limits (species index)

Length is equal to number of species

Definition at line 549 of file NasaThermo.h.

Referenced by NasaThermo::install(), NasaThermo::minTemp(), and NasaThermo::operator=().

 vector_fp m_thigh
protected

Vector of low temperature limits (species index)

Length is equal to number of species

Definition at line 555 of file NasaThermo.h.

Referenced by NasaThermo::install(), NasaThermo::maxTemp(), and NasaThermo::operator=().

 doublereal m_p0
protected

Reference pressure (Pa)

all species must have the same reference pressure.

Definition at line 561 of file NasaThermo.h.

Referenced by NasaThermo::install(), NasaThermo::operator=(), and NasaThermo::refPressure().

 int m_ngroups
protected

number of groups

Definition at line 564 of file NasaThermo.h.

Referenced by NasaThermo::install(), NasaThermo::operator=(), and NasaThermo::update().

 vector_fp m_t
mutableprotected

Vector of temperature polynomials.

Definition at line 567 of file NasaThermo.h.

 std::map m_group_map
mutableprotected

This map takes as its index, the species index in the phase. It returns the group index, where the temperature polynomials for that species are stored. group indices start at 1, so a decrement is always performed to access vectors.

Definition at line 575 of file NasaThermo.h.

 std::map m_posInGroup_map
mutableprotected

This map takes as its index, the species index in the phase. It returns the position index within the group, where the temperature polynomials for that species are stored.

Definition at line 582 of file NasaThermo.h.

 std::map m_name
mutableprotected

Species name as a function of the species index.

Definition at line 585 of file NasaThermo.h.

Referenced by NasaThermo::install(), NasaThermo::modifyParams(), and NasaThermo::operator=().

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