Cantera: ChebyshevRate Class Reference

Pressure-dependent rate expression where the rate coefficient is expressed as a bivariate Chebyshev polynomial in temperature and pressure. More...

#include <RxnRates.h>

Public Member Functions
	ChebyshevRate ()
	Default constructor. More...

	ChebyshevRate (const ReactionData &rdata)
	Constructor from ReactionData. More...

	ChebyshevRate (double Tmin, double Tmax, double Pmin, double Pmax, const Array2D &coeffs)
	Constructor directly from coefficient array. More...

void	update_C (const doublereal *c)
	Update concentration-dependent parts of the rate coefficient. More...

doublereal	update (doublereal logT, doublereal recipT) const
	Update the value of the base-10 logarithm of the rate constant. More...

doublereal	updateRC (doublereal logT, doublereal recipT) const
	Update the value the rate constant. More...

doublereal	activationEnergy_R () const

double	Tmin () const
	Minimum valid temperature [K]. More...

double	Tmax () const
	Maximum valid temperature [K]. More...

double	Pmin () const
	Minimum valid pressure [Pa]. More...

double	Pmax () const
	Maximum valid pressure [Pa]. More...

size_t	nPressure () const
	Number of points in the pressure direction. More...

size_t	nTemperature () const
	Number of points in the temperature direction. More...

const vector_fp &	coeffs () const
	Access the Chebyshev coefficients. More...

Static Public Member Functions
static int	type ()
	return the rate coefficient type. More...

static bool	alwaysComputeRate ()

Protected Attributes
double	Tmin_

double	Tmax_
	valid temperature range More...

double	Pmin_

double	Pmax_
	valid pressure range More...

double	TrNum_

double	TrDen_
	terms appearing in the reduced temperature More...

double	PrNum_

double	PrDen_
	terms appearing in the reduced pressure More...

size_t	nP_
	number of points in the pressure direction More...

size_t	nT_
	number of points in the temperature direction More...

vector_fp	chebCoeffs_
	Chebyshev coefficients, length nP * nT. More...

vector_fp	dotProd_
	dot product of chebCoeffs with the reduced pressure polynomial More...

Detailed Description

Pressure-dependent rate expression where the rate coefficient is expressed as a bivariate Chebyshev polynomial in temperature and pressure.

Definition at line 443 of file RxnRates.h.

Constructor & Destructor Documentation

ChebyshevRate ( )

inline

Default constructor.

Definition at line 452 of file RxnRates.h.

ChebyshevRate ( const ReactionData & rdata )

explicit

Constructor from ReactionData.

Definition at line 247 of file RxnRates.cpp.

References ReactionData::chebPmax, ReactionData::chebPmin, ReactionData::chebTmax, ReactionData::chebTmin, ChebyshevRate::PrDen_, and ChebyshevRate::TrDen_.

ChebyshevRate	(	double	Tmin,
		double	Tmax,
		double	Pmin,
		double	Pmax,
		const Array2D &	coeffs
	)

Constructor directly from coefficient array.

Definition at line 268 of file RxnRates.cpp.

References ChebyshevRate::chebCoeffs_, ChebyshevRate::coeffs(), ChebyshevRate::nP_, ChebyshevRate::nT_, ChebyshevRate::PrDen_, ChebyshevRate::Tmax(), ChebyshevRate::Tmin(), and ChebyshevRate::TrDen_.

Member Function Documentation

static int type ( )

inlinestatic

return the rate coefficient type.

Definition at line 447 of file RxnRates.h.

void update_C ( const doublereal * c )

inline

Update concentration-dependent parts of the rate coefficient.

Parameters

c	base-10 logarithm of the pressure in Pa

Definition at line 472 of file RxnRates.h.

References ChebyshevRate::chebCoeffs_, ChebyshevRate::dotProd_, ChebyshevRate::nP_, ChebyshevRate::nT_, and ChebyshevRate::PrDen_.

doublereal update	(	doublereal	logT,
		doublereal	recipT
	)		const

inline

Update the value of the base-10 logarithm of the rate constant.

Deprecated:: . To be removed after Cantera 2.2

Definition at line 494 of file RxnRates.h.

References ChebyshevRate::updateRC().

doublereal updateRC	(	doublereal	logT,
		doublereal	recipT
	)		const

inline

Update the value the rate constant.

This function returns the actual value of the rate constant.

Definition at line 503 of file RxnRates.h.

References ChebyshevRate::dotProd_, ChebyshevRate::nT_, and ChebyshevRate::TrDen_.

Referenced by ChebyshevRate::update().

doublereal activationEnergy_R ( ) const

inline

Deprecated:: . To be removed after Cantera 2.2

Definition at line 519 of file RxnRates.h.

static bool alwaysComputeRate ( )

inlinestatic

Deprecated:: . To be removed after Cantera 2.2

Definition at line 524 of file RxnRates.h.

double Tmin ( ) const

inline

Minimum valid temperature [K].

Definition at line 529 of file RxnRates.h.

Referenced by ChebyshevRate::ChebyshevRate().

double Tmax ( ) const

inline

Maximum valid temperature [K].

Definition at line 534 of file RxnRates.h.

References ChebyshevRate::Tmax_.

Referenced by ChebyshevRate::ChebyshevRate().

double Pmin ( ) const

inline

Minimum valid pressure [Pa].

Definition at line 539 of file RxnRates.h.

double Pmax ( ) const

inline

Maximum valid pressure [Pa].

Definition at line 544 of file RxnRates.h.

References ChebyshevRate::Pmax_.

size_t nPressure ( ) const

inline

Number of points in the pressure direction.

Definition at line 549 of file RxnRates.h.

References ChebyshevRate::nP_.

size_t nTemperature ( ) const

inline

Number of points in the temperature direction.

Definition at line 554 of file RxnRates.h.

References ChebyshevRate::nT_.

const vector_fp& coeffs ( ) const

inline

Access the Chebyshev coefficients.

\( \alpha_{t,p} = \mathrm{coeffs}[N_P*t + p] \) where \( 0 <= t < N_T \) and \( 0 <= p < N_P \).

Definition at line 563 of file RxnRates.h.

References ChebyshevRate::chebCoeffs_.

Referenced by ChebyshevRate::ChebyshevRate().

Member Data Documentation

double Tmax_

protected

valid temperature range

Definition at line 568 of file RxnRates.h.

Referenced by ChebyshevRate::Tmax().

double Pmax_

protected

valid pressure range

Definition at line 569 of file RxnRates.h.

Referenced by ChebyshevRate::Pmax().

double TrDen_

protected

terms appearing in the reduced temperature

Definition at line 570 of file RxnRates.h.

Referenced by ChebyshevRate::ChebyshevRate(), and ChebyshevRate::updateRC().

double PrDen_

protected

terms appearing in the reduced pressure

Definition at line 571 of file RxnRates.h.

Referenced by ChebyshevRate::ChebyshevRate(), and ChebyshevRate::update_C().

size_t nP_

protected

number of points in the pressure direction

Definition at line 573 of file RxnRates.h.

Referenced by ChebyshevRate::ChebyshevRate(), ChebyshevRate::nPressure(), and ChebyshevRate::update_C().

size_t nT_

protected

number of points in the temperature direction

Definition at line 574 of file RxnRates.h.

Referenced by ChebyshevRate::ChebyshevRate(), ChebyshevRate::nTemperature(), ChebyshevRate::update_C(), and ChebyshevRate::updateRC().

vector_fp chebCoeffs_

protected

Chebyshev coefficients, length nP * nT.

Definition at line 575 of file RxnRates.h.

Referenced by ChebyshevRate::ChebyshevRate(), ChebyshevRate::coeffs(), and ChebyshevRate::update_C().

vector_fp dotProd_

protected

dot product of chebCoeffs with the reduced pressure polynomial

Definition at line 576 of file RxnRates.h.

Referenced by ChebyshevRate::update_C(), and ChebyshevRate::updateRC().

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