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

#include <ReactorSurface.h>

Inheritance diagram for ReactorSurface:

Detailed Description

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

Definition at line 19 of file ReactorSurface.h.

Public Member Functions
	ReactorSurface (shared_ptr< Solution > soln, const vector< shared_ptr< ReactorBase > > &reactors, bool clone, const string &name="(none)")
	Create a new ReactorSurface.

string	type () const override
	String indicating the wall model implemented.

double	area () const override
	Returns the surface area [m²].

void	setArea (double a) override
	Set the surface area [m²].

SurfPhase *	thermo ()
	Accessor for the SurfPhase object.

Kinetics *	kinetics ()
	Accessor for the InterfaceKinetics object.

void	addInlet (FlowDevice &inlet) override
	Connect an inlet FlowDevice to this reactor.

void	addOutlet (FlowDevice &outlet) override
	Connect an outlet FlowDevice to this reactor.

void	addWall (WallBase &w, int lr) override
	Insert a Wall between this reactor and another reactor.

void	addSurface (ReactorSurface *surf) override
	Add a ReactorSurface object to a Reactor object.

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	restoreState () override
	Set the coverages and temperature in the surface phase object to the values for this surface.

void	syncState () override
	Set the coverages for this ReactorSurface based on the attached SurfPhase.

void	addSensitivityReaction (size_t rxn) override
	Add a sensitivity parameter associated with the reaction number rxn

void	setSensitivityParameters (const double *params)
	Set reaction rate multipliers.

void	resetSensitivityParameters ()
	Set reaction rate multipliers back to their initial values.

Public Member Functions inherited from ReactorBase
	ReactorBase (shared_ptr< Solution > sol, const string &name="(none)")
	Instantiate a ReactorBase object with Solution contents.

	ReactorBase (shared_ptr< Solution > sol, bool clone, const string &name="(none)")
	Instantiate a ReactorBase object with Solution contents.

	ReactorBase (const ReactorBase &)=delete

ReactorBase &	operator= (const ReactorBase &)=delete

virtual string	type () const
	String indicating the reactor model implemented.

string	name () const
	Return the name of this reactor.

void	setName (const string &name)
	Set the name of this reactor.

bool	setDefaultName (map< string, int > &counts)
	Set the default name of a reactor. Returns `false` if it was previously set.

shared_ptr< Solution >	phase ()
	Access the Solution object used to represent the contents of this reactor.

shared_ptr< const Solution >	phase () const
	Access the Solution object used to represent the contents of this reactor.

virtual void	restoreState ()
	Set the state of the Phase object associated with this reactor to the reactor's current state.

virtual void	syncState ()
	Set the state of the reactor to the associated ThermoPhase object.

double	residenceTime ()
	Return the residence time (s) of the contents of this reactor, based on the outlet mass flow rates and the mass of the reactor contents.

ReactorNet &	network ()
	The ReactorNet that this reactor belongs to.

void	setNetwork (ReactorNet *net)
	Set the ReactorNet that this reactor belongs to.

virtual void	addSensitivityReaction (size_t rxn)
	Add a sensitivity parameter associated with the reaction number rxn

virtual size_t	nSensParams () const
	Number of sensitivity parameters associated with this reactor.

virtual void	setInitialVolume (double vol)
	Set the initial reactor volume.

virtual bool	chemistryEnabled () const
	Returns `true` if changes in the reactor composition due to chemical reactions are enabled.

virtual void	setChemistryEnabled (bool cflag=true)
	Enable or disable changes in reactor composition due to chemical reactions.

virtual bool	energyEnabled () const
	Returns `true` if solution of the energy equation is enabled.

virtual void	setEnergyEnabled (bool eflag=true)
	Set the energy equation on or off.

FlowDevice &	inlet (size_t n=0)
	Return a reference to the n-th inlet FlowDevice connected to this reactor.

FlowDevice &	outlet (size_t n=0)
	Return a reference to the n-th outlet FlowDevice connected to this reactor.

size_t	nInlets ()
	Return the number of inlet FlowDevice objects connected to this reactor.

size_t	nOutlets ()
	Return the number of outlet FlowDevice objects connected to this reactor.

size_t	nWalls ()
	Return the number of Wall objects connected to this reactor.

WallBase &	wall (size_t n)
	Return a reference to the n-th Wall connected to this reactor.

ReactorSurface *	surface (size_t n)
	Return a reference to the n-th ReactorSurface connected to this reactor.

virtual size_t	nSurfs () const
	Return the number of surfaces in a reactor.

virtual void	initialize (double t0=0.0)
	Initialize the reactor.

double	volume () const
	Returns the current volume (m^3) of the reactor.

double	density () const
	Returns the current density (kg/m^3) of the reactor's contents.

double	temperature () const
	Returns the current temperature (K) of the reactor's contents.

double	enthalpy_mass () const
	Returns the current enthalpy (J/kg) of the reactor's contents.

double	pressure () const
	Returns the current pressure (Pa) of the reactor.

double	mass () const
	Returns the mass (kg) of the reactor's contents.

const double *	massFractions () const
	Return the vector of species mass fractions.

double	massFraction (size_t k) const
	Return the mass fraction of the k-th species.

Protected Attributes
double	m_area = 1.0

shared_ptr< SurfPhase >	m_surf

shared_ptr< Kinetics >	m_kinetics

vector< ReactorBase * >	m_reactors

vector< double >	m_cov

Protected Attributes inherited from ReactorBase
size_t	m_nsp = 0
	Number of homogeneous species in the mixture.

ThermoPhase *	m_thermo = nullptr

double	m_vol = 0.0
	Current volume of the reactor [m^3].

double	m_mass = 0.0
	Current mass of the reactor [kg].

double	m_enthalpy = 0.0
	Current specific enthalpy of the reactor [J/kg].

double	m_pressure = 0.0
	Current pressure in the reactor [Pa].

vector< double >	m_state

vector< FlowDevice * >	m_inlet

vector< FlowDevice * >	m_outlet

vector< WallBase * >	m_wall

vector< ReactorSurface * >	m_surfaces

vector< int >	m_lr
	Vector of length nWalls(), indicating whether this reactor is on the left (0) or right (1) of each wall.

string	m_name
	Reactor name.

bool	m_defaultNameSet = false
	`true` if default name has been previously set.

ReactorNet *	m_net = nullptr
	The ReactorNet that this reactor is part of.

shared_ptr< Solution >	m_solution
	Composite thermo/kinetics/transport handler.

vector< SensitivityParameter >	m_sensParams

Additional Inherited Members
Protected Member Functions inherited from ReactorBase
	ReactorBase (const string &name="(none)")

Constructor & Destructor Documentation

◆ ReactorSurface()

ReactorSurface	(	shared_ptr< Solution >	soln,
		const vector< shared_ptr< ReactorBase > > &	reactors,
		bool	clone,
		const string &	name = `"(none)"`
	)

Create a new ReactorSurface.

Parameters

soln	Thermodynamic and kinetic model representing species and reactions on the surface
clone	Determines whether to clone `soln` so that the internal state of this reactor surface is independent of the original Solution (Interface) object and any Solution objects used by other reactors in the network.
reactors	One or more reactors whose phases participate in reactions occurring on the surface. For the purpose of rate evaluation, the temperature of the surface is set equal to the temperature of the first reactor specified.
name	Name used to identify the surface

Since: Constructor signature including reactors and clone arguments introduced in Cantera 3.2.

Definition at line 16 of file ReactorSurface.cpp.

Member Function Documentation

◆ type()

string type ( ) const

inlineoverridevirtual

String indicating the wall model implemented.

Reimplemented from ReactorBase.

Definition at line 41 of file ReactorSurface.h.

◆ area()

double area ( ) const

overridevirtual

Returns the surface area [m²].

Reimplemented from ReactorBase.

Definition at line 57 of file ReactorSurface.cpp.

◆ setArea()

void setArea ( double a )

overridevirtual

Set the surface area [m²].

Reimplemented from ReactorBase.

Definition at line 62 of file ReactorSurface.cpp.

◆ thermo()

SurfPhase * thermo ( )

inline

Accessor for the SurfPhase object.

Definition at line 52 of file ReactorSurface.h.

◆ kinetics()

Kinetics * kinetics ( )

inline

Accessor for the InterfaceKinetics object.

Definition at line 57 of file ReactorSurface.h.

◆ addInlet()

void addInlet ( FlowDevice & inlet )

inlineoverridevirtual

Connect an inlet FlowDevice to this reactor.

Reimplemented from ReactorBase.

Definition at line 61 of file ReactorSurface.h.

◆ addOutlet()

void addOutlet ( FlowDevice & outlet )

inlineoverridevirtual

Connect an outlet FlowDevice to this reactor.

Reimplemented from ReactorBase.

Definition at line 66 of file ReactorSurface.h.

◆ addWall()

void addWall	(	WallBase &	w,
		int	lr
	)

inlineoverridevirtual

Insert a Wall between this reactor and another reactor.

lr = 0 if this reactor is to the left of the wall and lr = 1 if this reactor is to the right of the wall. This method is called automatically for both the left and right reactors by WallBase::install.

Reimplemented from ReactorBase.

Definition at line 71 of file ReactorSurface.h.

◆ addSurface()

void addSurface ( ReactorSurface * surf )

inlineoverridevirtual

Add a ReactorSurface object to a Reactor object.

Attention: This method should generally not be called directly by users. Reactor and ReactorSurface objects should be connected by providing adjacent reactors to the newReactorSurface factory function.

Reimplemented from ReactorBase.

Definition at line 75 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 67 of file ReactorSurface.cpp.

◆ setCoverages() [2/3]

void setCoverages ( const Composition & cov )

Set the surface coverages by name.

Definition at line 72 of file ReactorSurface.cpp.

◆ setCoverages() [3/3]

void setCoverages ( const string & cov )

Set the surface coverages by name.

Definition at line 78 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 84 of file ReactorSurface.cpp.

◆ restoreState()

void restoreState ( )

overridevirtual

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.

Since: Prior to Cantera 3.2, this operation was performed by syncState()

Reimplemented from ReactorBase.

Definition at line 89 of file ReactorSurface.cpp.

◆ syncState()

void syncState ( )

overridevirtual

Set the coverages for this ReactorSurface based on the attached SurfPhase.

Since: Behavior changed in Cantera 3.2 for consistency with ReactorBase::syncState(). Previously, this method performed the inverse operation of setting the ReactorSurface state based on the SurfPhase and attached Reactor.

Reimplemented from ReactorBase.

Definition at line 95 of file ReactorSurface.cpp.

◆ addSensitivityReaction()

void addSensitivityReaction ( size_t rxn )

overridevirtual

Add a sensitivity parameter associated with the reaction number rxn

Reimplemented from ReactorBase.

Definition at line 103 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 115 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 123 of file ReactorSurface.cpp.

Member Data Documentation

◆ m_area

double m_area = 1.0

protected

Definition at line 119 of file ReactorSurface.h.

◆ m_surf

shared_ptr<SurfPhase> m_surf

protected

Definition at line 121 of file ReactorSurface.h.

◆ m_kinetics

shared_ptr<Kinetics> m_kinetics

protected

Definition at line 122 of file ReactorSurface.h.

◆ m_reactors

vector<ReactorBase*> m_reactors

protected

Definition at line 123 of file ReactorSurface.h.

◆ m_cov

vector<double> m_cov

protected

Definition at line 124 of file ReactorSurface.h.

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

Detailed Description

Public Member Functions

Protected Attributes

Additional Inherited Members

Constructor & Destructor Documentation

◆ ReactorSurface()

Member Function Documentation

◆ type()

◆ area()

◆ setArea()

◆ thermo()

◆ kinetics()

◆ addInlet()

◆ addOutlet()

◆ addWall()

◆ addSurface()

◆ setCoverages() [1/3]

◆ setCoverages() [2/3]

◆ setCoverages() [3/3]

◆ getCoverages()

◆ restoreState()

◆ syncState()

◆ addSensitivityReaction()

◆ setSensitivityParameters()

◆ resetSensitivityParameters()

Member Data Documentation

◆ m_area

◆ m_surf

◆ m_kinetics

◆ m_reactors

◆ m_cov