ReactorSurface Class Reference

A surface where reactions can occur that is in contact with the bulk fluid of a Reactor. More...

#include <ReactorSurface.h>

Detailed Description

A surface where reactions can occur that is in contact with the bulk fluid of a Reactor.

Definition at line 20 of file ReactorSurface.h.

Public Member Functions
	ReactorSurface (const ReactorSurface &)=delete
ReactorSurface &	operator= (const ReactorSurface &)=delete
double	area () const
	Returns the surface area [m^2].
void	setArea (double a)
	Set the surface area [m^2].
SurfPhase *	thermo ()
	Accessor for the SurfPhase object.
Kinetics *	kinetics ()
	Accessor for the InterfaceKinetics object.
void	setKinetics (Kinetics *kin)
	Set the InterfaceKinetics object for this surface.
void	setReactor (ReactorBase *reactor)
	Set the reactor that this Surface interacts with.
size_t	nSensParams () const
	Number of sensitivity parameters associated with reactions on this surface.
void	setCoverages (const double *cov)
	Set the surface coverages.
void	setCoverages (const Composition &cov)
	Set the surface coverages by name.
void	setCoverages (const string &cov)
	Set the surface coverages by name.
void	getCoverages (double *cov) const
	Get the surface coverages.
void	syncState ()
	Set the coverages and temperature in the surface phase object to the values for this surface.
void	addSensitivityReaction (size_t i)
	Enable calculation of sensitivities with respect to the rate constant for reaction i.
void	setSensitivityParameters (const double *params)
	Set reaction rate multipliers.
void	resetSensitivityParameters ()
	Set reaction rate multipliers back to their initial values.

Protected Attributes
double	m_area = 1.0
SurfPhase *	m_thermo = nullptr
Kinetics *	m_kinetics = nullptr
ReactorBase *	m_reactor = nullptr
vector< double >	m_cov
vector< SensitivityParameter >	m_params

Member Function Documentation

area()

double area

(

)

const

Returns the surface area [m^2].

Definition at line 15 of file ReactorSurface.cpp.

setArea()

void setArea

(

double

a

)

Set the surface area [m^2].

Definition at line 20 of file ReactorSurface.cpp.

thermo()

SurfPhase * thermo ( )

inline

Accessor for the SurfPhase object.

Definition at line 35 of file ReactorSurface.h.

kinetics()

Kinetics * kinetics ( )

inline

Accessor for the InterfaceKinetics object.

Definition at line 40 of file ReactorSurface.h.

setKinetics()

void setKinetics

(

Kinetics *

kin

)

Set the InterfaceKinetics object for this surface.

Definition at line 25 of file ReactorSurface.cpp.

setReactor()

void setReactor

(

ReactorBase *

reactor

)

Set the reactor that this Surface interacts with.

Definition at line 42 of file ReactorSurface.cpp.

nSensParams()

size_t nSensParams ( ) const

inline

Number of sensitivity parameters associated with reactions on this surface.

Definition at line 52 of file ReactorSurface.h.

setCoverages() [1/3]

void setCoverages

(

const double *

cov

)

Set the surface coverages.

Array cov has length equal to the number of surface species.

Definition at line 47 of file ReactorSurface.cpp.

setCoverages() [2/3]

void setCoverages

(

const Composition &

cov

)

Set the surface coverages by name.

Definition at line 52 of file ReactorSurface.cpp.

setCoverages() [3/3]

void setCoverages

(

const string &

cov

)

Set the surface coverages by name.

Definition at line 58 of file ReactorSurface.cpp.

getCoverages()

void getCoverages

(

double *

cov

)

const

Get the surface coverages.

Array cov should have length equal to the number of surface species.

Definition at line 64 of file ReactorSurface.cpp.

syncState()

void syncState

(

)

Set the coverages and temperature in the surface phase object to the values for this surface.

The temperature is set to match the bulk phase of the attached Reactor.

Definition at line 69 of file ReactorSurface.cpp.

addSensitivityReaction()

void addSensitivityReaction

(

size_t

i

)

Enable calculation of sensitivities with respect to the rate constant for reaction i.

Definition at line 75 of file ReactorSurface.cpp.

setSensitivityParameters()

void setSensitivityParameters

(

const double *

params

)

Set reaction rate multipliers.

params is the global vector of sensitivity parameters. This function is called within ReactorNet::eval() before the reaction rates are evaluated.

Definition at line 87 of file ReactorSurface.cpp.

resetSensitivityParameters()

void resetSensitivityParameters

(

)

Set reaction rate multipliers back to their initial values.

This function is called within ReactorNet::eval() after all rates have been evaluated.

Definition at line 95 of file ReactorSurface.cpp.

Member Data Documentation

m_area

double m_area = 1.0

protected

Definition at line 90 of file ReactorSurface.h.

m_thermo

SurfPhase* m_thermo = nullptr

protected

Definition at line 92 of file ReactorSurface.h.

m_kinetics

Kinetics* m_kinetics = nullptr

protected

Definition at line 93 of file ReactorSurface.h.

m_reactor

ReactorBase* m_reactor = nullptr

protected

Definition at line 94 of file ReactorSurface.h.

m_cov

vector<double> m_cov

protected

Definition at line 95 of file ReactorSurface.h.

m_params

vector<SensitivityParameter> m_params

protected

Definition at line 96 of file ReactorSurface.h.

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

• ReactorSurface.h
• ReactorSurface.cpp