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 string &name="(none)")
	ReactorSurface (const ReactorSurface &)=delete
ReactorSurface &	operator= (const ReactorSurface &)=delete
virtual string	type () const
	String indicating the wall model implemented.
string	name () const
	Retrieve reactor surface name.
void	setName (const string &name)
	Set reactor surface name.
bool	setDefaultName (map< string, int > &counts)
	Set the default name of a wall. Returns false if it was previously set.
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
string	m_name
	Reactor surface name.
bool	m_defaultNameSet = false
	true if default name has been previously set.
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

Constructor & Destructor Documentation

ReactorSurface()

ReactorSurface ( const string &  name = "(none)" )

inline

Definition at line 23 of file ReactorSurface.h.

Member Function Documentation

type()

virtual string type ( ) const

inlinevirtual

String indicating the wall model implemented.

Definition at line 29 of file ReactorSurface.h.

name()

string name ( ) const

inline

Retrieve reactor surface name.

Definition at line 34 of file ReactorSurface.h.

setName()

void setName ( const string &  name )

inline

Set reactor surface name.

Definition at line 39 of file ReactorSurface.h.

setDefaultName()

bool setDefaultName

(

map< string, int > &

counts

)

Set the default name of a wall. Returns false if it was previously set.

Definition at line 15 of file ReactorSurface.cpp.

area()

double area

(

)

const

Returns the surface area [m^2].

Definition at line 28 of file ReactorSurface.cpp.

setArea()

void setArea

(

double

a

)

Set the surface area [m^2].

Definition at line 33 of file ReactorSurface.cpp.

thermo()

SurfPhase * thermo ( )

inline

Accessor for the SurfPhase object.

Definition at line 53 of file ReactorSurface.h.

kinetics()

Kinetics * kinetics ( )

inline

Accessor for the InterfaceKinetics object.

Definition at line 58 of file ReactorSurface.h.

setKinetics()

void setKinetics

(

Kinetics *

kin

)

Set the InterfaceKinetics object for this surface.

Definition at line 38 of file ReactorSurface.cpp.

setReactor()

void setReactor

(

ReactorBase *

reactor

)

Set the reactor that this Surface interacts with.

Definition at line 55 of file ReactorSurface.cpp.

nSensParams()

size_t nSensParams ( ) const

inline

Number of sensitivity parameters associated with reactions on this surface.

Definition at line 70 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 60 of file ReactorSurface.cpp.

setCoverages() [2/3]

void setCoverages

(

const Composition &

cov

)

Set the surface coverages by name.

Definition at line 65 of file ReactorSurface.cpp.

setCoverages() [3/3]

void setCoverages

(

const string &

cov

)

Set the surface coverages by name.

Definition at line 71 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 77 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 82 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 88 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 100 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 108 of file ReactorSurface.cpp.

Member Data Documentation

m_name

string m_name

protected

Reactor surface name.

Definition at line 108 of file ReactorSurface.h.

m_defaultNameSet

bool m_defaultNameSet = false

protected

true if default name has been previously set.

Definition at line 109 of file ReactorSurface.h.

m_area

double m_area = 1.0

protected

Definition at line 111 of file ReactorSurface.h.

m_thermo

SurfPhase* m_thermo = nullptr

protected

Definition at line 113 of file ReactorSurface.h.

m_kinetics

Kinetics* m_kinetics = nullptr

protected

Definition at line 114 of file ReactorSurface.h.

m_reactor

ReactorBase* m_reactor = nullptr

protected

Definition at line 115 of file ReactorSurface.h.

m_cov

vector<double> m_cov

protected

Definition at line 116 of file ReactorSurface.h.

m_params

vector<SensitivityParameter> m_params

protected

Definition at line 117 of file ReactorSurface.h.

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

• ReactorSurface.h
• ReactorSurface.cpp