Cantera  2.2.1
SurfaceArrhenius Class Reference

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: