Arrhenius Class Reference

Arrhenius reaction rate type depends only on temperature. More...

#include <RxnRates.h>

Public Member Functions
	Arrhenius ()
	Default constructor. More...
	Arrhenius (doublereal A, doublereal b, doublereal E)
	Constructor. More...
void	update_C (const doublereal *c)
	Update concentration-dependent parts of the rate coefficient. More...
doublereal	updateLog (doublereal logT, doublereal recipT) const
	Update the value of the natural logarithm of the rate constant. More...
doublereal	updateRC (doublereal logT, doublereal recipT) const
	Update the value the rate constant. More...
double	preExponentialFactor () const
	Return the pre-exponential factor A (in m, kmol, s to powers depending on the reaction order) More...
double	temperatureExponent () const
	Return the temperature exponent b More...
doublereal	activationEnergy_R () const
	Return the activation energy divided by the gas constant (i.e. More...

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

Protected Attributes
doublereal	m_logA
doublereal	m_b
doublereal	m_E
doublereal	m_A

Detailed Description

Arrhenius reaction rate type depends only on temperature.

A reaction rate coefficient of the following form.

\[ k_f = A T^b \exp (-E/RT) \]

Definition at line 30 of file RxnRates.h.

Constructor & Destructor Documentation

Arrhenius() [1/2]

Arrhenius

(

)

Default constructor.

Definition at line 11 of file RxnRates.cpp.

Arrhenius() [2/2]

Arrhenius	(	doublereal	A,
		doublereal	b,
		doublereal	E
	)

Constructor.

Parameters

A	pre-exponential. The unit system is (kmol, m, s). The actual units depend on the reaction order and the dimensionality (surface or bulk).
b	Temperature exponent. Non-dimensional.
E	Activation energy in temperature units. Kelvin.

Definition at line 19 of file RxnRates.cpp.

Member Function Documentation

type()

static int type ( )

inlinestatic

return the rate coefficient type.

Definition at line 34 of file RxnRates.h.

update_C()

void update_C ( const doublereal *  c )

inline

Update concentration-dependent parts of the rate coefficient.

For this class, there are no concentration-dependent parts, so this method does nothing.

Definition at line 54 of file RxnRates.h.

updateLog()

doublereal updateLog ( doublereal  logT, doublereal  recipT  ) const

inline

Update the value of the natural logarithm of the rate constant.

Definition at line 60 of file RxnRates.h.

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. It can be safely called for negative values of the pre-exponential factor.

Definition at line 70 of file RxnRates.h.

preExponentialFactor()

double preExponentialFactor ( ) const

inline

Return the pre-exponential factor A (in m, kmol, s to powers depending on the reaction order)

Definition at line 76 of file RxnRates.h.

Referenced by InterfaceKinetics::buildSurfaceArrhenius(), ElementaryReaction::validate(), and FalloffReaction::validate().

temperatureExponent()

double temperatureExponent ( ) const

inline

Return the temperature exponent b

Definition at line 81 of file RxnRates.h.

Referenced by InterfaceKinetics::buildSurfaceArrhenius().

activationEnergy_R()

doublereal activationEnergy_R ( ) const

inline

Return the activation energy divided by the gas constant (i.e.

the activation temperature) [K]

Definition at line 87 of file RxnRates.h.

Referenced by InterfaceKinetics::buildSurfaceArrhenius().

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

• RxnRates.h
• RxnRates.cpp