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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: