An Arrhenius rate with coverage-dependent terms. More...

#include <RxnRates.h>

Public Member Functions
	SurfaceArrhenius (double A, double b, double Ta)

	SurfaceArrhenius (const ReactionData &rdata)

void	addCoverageDependence (size_t k, doublereal a, doublereal m, doublereal e)
	Add a coverage dependency for species k, with pre-exponential dependence a, temperature exponent dependence m and activation energy dependence e, where e is in Kelvin, i.e. More...

void	update_C (const doublereal *theta)

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

Static Public Member Functions
static int	type ()

static bool	alwaysComputeRate ()

Protected Attributes
doublereal	m_logA

doublereal	m_b

doublereal	m_E

doublereal	m_A

doublereal	m_acov

doublereal	m_ecov

doublereal	m_mcov

std::vector< size_t >	m_sp

std::vector< size_t >	m_msp

vector_fp	m_ac

vector_fp	m_ec

vector_fp	m_mc

size_t	m_ncov

size_t	m_nmcov

Detailed Description

An Arrhenius rate with coverage-dependent terms.

The rate expression is given by:

\[ k_f = A T^b \exp \left( \ln 10 \sum a_k \theta_k - \frac{1}{RT} \left( E_a + \sum E_k\theta_k \right) + \sum m_k \ln \theta_k \right) \]

where the parameters \( (a_k, E_k, m_k) \) describe the dependency on the surface coverage of species \(k, \theta_k \).

Definition at line 145 of file RxnRates.h.

Member Function Documentation

void addCoverageDependence	(	size_t	k,
		doublereal	a,
		doublereal	m,
		doublereal	e
	)

Add a coverage dependency for species k, with pre-exponential dependence a, temperature exponent dependence m and activation energy dependence e, where e is in Kelvin, i.e.

energy divided by the molar gas constant.

Definition at line 91 of file RxnRates.cpp.

doublereal update	(	doublereal	logT,
		doublereal	recipT
	)		const

inline

Update the value of the logarithm of the rate constant.

This calculation is not safe for negative values of the preexponential.

Deprecated:: . To be removed after Cantera 2.2

Definition at line 191 of file RxnRates.h.

doublereal updateRC	(	doublereal	logT,
		doublereal	recipT
	)		const

inline

Update the value the rate constant.

This function returns the actual value of the rate constant. It can be safely called for negative values of the pre-exponential factor.

Definition at line 203 of file RxnRates.h.

static bool alwaysComputeRate ( )

inlinestatic

Deprecated:: . To be removed after Cantera 2.2

Definition at line 213 of file RxnRates.h.

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

Public Member Functions

Static Public Member Functions

Protected Attributes

Detailed Description

Member Function Documentation