Pressure-dependent reaction rate expressed by logarithmically interpolating between Arrhenius rate expressions at various pressures. More...

#include <RxnRates.h>

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

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

	Plog (const std::multimap< double, Arrhenius > &rates)
	Constructor from Arrhenius rate expressions at a set of pressures. 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 logarithm of the rate constant. More...

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

doublereal	activationEnergy_R () const

void	validate (const std::string &equation)
	Check to make sure that the rate expression is finite over a range of temperatures at each interpolation pressure. More...

std::vector< std::pair< double, Arrhenius > >	rates () const
	Return the pressures and Arrhenius expressions which comprise this reaction. More...

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

static bool	alwaysComputeRate ()

Protected Types
typedef std::map< double, std::pair< size_t, size_t > >::iterator	pressureIter

Protected Attributes
std::map< double, std::pair < size_t, size_t > >	pressures_
	log(p) to (index range) in the rates_ vector More...

std::vector< Arrhenius >	rates_

double	logP_
	log(p) at the current state More...

double	logP1_

double	logP2_
	log(p) at the lower / upper pressure reference More...

size_t	ilow1_
	Indices to the ranges within rates_ for the lower / upper pressure, such that rates_[ilow1_] through rates_[ilow2_] (inclusive) are the rates expressions which are combined to form the rate at the lower reference pressure. More...

size_t	ilow2_

size_t	ihigh1_

size_t	ihigh2_

double	rDeltaP_
	reciprocal of (logP2 - logP1) More...

Detailed Description

Pressure-dependent reaction rate expressed by logarithmically interpolating between Arrhenius rate expressions at various pressures.

Definition at line 319 of file RxnRates.h.

Constructor & Destructor Documentation

Plog ( )

inline

Default constructor.

Definition at line 328 of file RxnRates.h.

Plog ( const ReactionData & rdata )

explicit

Constructor from ReactionData.

Definition at line 142 of file RxnRates.cpp.

References ReactionData::equation, ReactionData::plogParameters, Plog::pressures_, ReactionData::validate, and Plog::validate().

Plog ( const std::multimap< double, Arrhenius > & rates )

explicit

Constructor from Arrhenius rate expressions at a set of pressures.

Definition at line 179 of file RxnRates.cpp.

References Plog::pressures_.

Member Function Documentation

static int type ( )

inlinestatic

return the rate coefficient type.

Definition at line 323 of file RxnRates.h.

void update_C ( const doublereal * c )

inline

Update concentration-dependent parts of the rate coefficient.

Parameters

c	natural log of the pressure in Pa

Definition at line 338 of file RxnRates.h.

References AssertThrowMsg, Cantera::fp2str(), Plog::ilow1_, Plog::logP2_, Plog::logP_, Plog::pressures_, and Plog::rDeltaP_.

Referenced by Plog::validate().

doublereal update	(	doublereal	logT,
		doublereal	recipT
	)		const

inline

Update the value of the logarithm of the rate constant.

Deprecated:: . To be removed after Cantera 2.2

Definition at line 367 of file RxnRates.h.

References Plog::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 376 of file RxnRates.h.

References Plog::ilow1_, Plog::logP_, and Plog::rDeltaP_.

Referenced by Plog::update(), and Plog::validate().

doublereal activationEnergy_R ( ) const

inline

Deprecated:: . To be removed after Cantera 2.2

Definition at line 402 of file RxnRates.h.

static bool alwaysComputeRate ( )

inlinestatic

Deprecated:: . To be removed after Cantera 2.2

Definition at line 407 of file RxnRates.h.

void validate ( const std::string & equation )

Check to make sure that the rate expression is finite over a range of temperatures at each interpolation pressure.

This is potentially an issue when one of the Arrhenius expressions at a particular pressure has a negative pre-exponential factor.

Definition at line 209 of file RxnRates.cpp.

References Cantera::fp2str(), Plog::pressures_, Plog::update_C(), and Plog::updateRC().

Referenced by Plog::Plog(), and PlogReaction::validate().

std::vector< std::pair< double, Arrhenius > > rates ( ) const

Return the pressures and Arrhenius expressions which comprise this reaction.

Definition at line 231 of file RxnRates.cpp.

References Plog::pressures_.

Member Data Documentation

std::map<double, std::pair<size_t, size_t> > pressures_

protected

log(p) to (index range) in the rates_ vector

Definition at line 423 of file RxnRates.h.

Referenced by Plog::Plog(), Plog::rates(), Plog::update_C(), and Plog::validate().

double logP_

protected

log(p) at the current state

Definition at line 429 of file RxnRates.h.

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

double logP2_

protected

log(p) at the lower / upper pressure reference

Definition at line 430 of file RxnRates.h.

Referenced by Plog::update_C().

size_t ilow1_

protected

Indices to the ranges within rates_ for the lower / upper pressure, such that rates_[ilow1_] through rates_[ilow2_] (inclusive) are the rates expressions which are combined to form the rate at the lower reference pressure.

Definition at line 436 of file RxnRates.h.

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

double rDeltaP_

protected

reciprocal of (logP2 - logP1)

Definition at line 438 of file RxnRates.h.

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

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

Public Member Functions

Static Public Member Functions

Protected Types

Protected Attributes

Detailed Description

Constructor & Destructor Documentation

Member Function Documentation

Member Data Documentation