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.

	ReactorSurface (shared_ptr< Solution > sol, const string &name="(none)")

	ReactorSurface (shared_ptr< Solution > sol, bool clone, const string &name="(none)")

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

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	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	setReactor (ReactorBase *reactor)
	Set the reactor that this Surface interacts with.

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

	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.

void	setSolution (shared_ptr< Solution > sol)
	Set the Solution specifying the ReactorBase content.

shared_ptr< Solution >	contents4 ()
	Access the Solution object used to represent the contents of this reactor.

shared_ptr< const Solution >	contents4 () 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.

ThermoPhase &	contents ()
	return a reference to the contents.

const ThermoPhase &	contents () const
	return a reference to the contents.

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

virtual void	setEnergy (int eflag=1)
	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.

void	addSurface (shared_ptr< ReactorBase > surf)
	Add a ReactorSurface object to a Reactor object.

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	intEnergy_mass () const
	Returns the current internal energy (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 Member Functions
void	setThermo (ThermoPhase &thermo) override
	Specify the mixture contained in the reactor.

void	setKinetics (Kinetics &kin) override
	Set the InterfaceKinetics object for this surface.

virtual void	setThermo (ThermoPhase &thermo)
	Specify the mixture contained in the reactor.

virtual void	setKinetics (Kinetics &kin)
	Specify the kinetics manager for the reactor.

Protected Attributes
double	m_area = 1.0

SurfPhase *	m_surf = nullptr

Kinetics *	m_kinetics = nullptr

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_intEnergy = 0.0
	Current internal energy 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

Constructor & Destructor Documentation

◆ ReactorSurface() [1/3]

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.

◆ ReactorSurface() [2/3]

ReactorSurface	(	shared_ptr< Solution >	sol,
		const string &	name = `"(none)"`
	)

Deprecated:: To be removed after Cantera 3.2. Replaced by constructor where contents and adjacent reactors are specified

Definition at line 56 of file ReactorSurface.cpp.

◆ ReactorSurface() [3/3]

ReactorSurface	(	shared_ptr< Solution >	sol,
		bool	clone,
		const string &	name = `"(none)"`
	)

Deprecated:: To be removed after Cantera 3.2. Replaced by constructor where contents and adjacent reactors are specified

Definition at line 79 of file ReactorSurface.cpp.

Member Function Documentation

◆ type()

string type ( ) const

inlineoverridevirtual

String indicating the wall model implemented.

Reimplemented from ReactorBase.

Definition at line 49 of file ReactorSurface.h.

◆ area()

double area ( ) const

Returns the surface area [m^2].

Definition at line 89 of file ReactorSurface.cpp.

◆ setArea()

void setArea ( double a )

Set the surface area [m^2].

Definition at line 94 of file ReactorSurface.cpp.

◆ thermo()

SurfPhase * thermo ( )

inline

Accessor for the SurfPhase object.

Definition at line 60 of file ReactorSurface.h.

◆ kinetics()

Kinetics * kinetics ( )

inline

Accessor for the InterfaceKinetics object.

Definition at line 65 of file ReactorSurface.h.

◆ setKinetics() [1/2]

void setKinetics ( Kinetics * kin )

Set the InterfaceKinetics object for this surface.

Deprecated:: To be removed after Cantera 3.2. Use constructor with Solution object instead.

Definition at line 99 of file ReactorSurface.cpp.

◆ addInlet()

void addInlet ( FlowDevice & inlet )

inlineoverridevirtual

Connect an inlet FlowDevice to this reactor.

Reimplemented from ReactorBase.

Definition at line 74 of file ReactorSurface.h.

◆ addOutlet()

void addOutlet ( FlowDevice & outlet )

inlineoverridevirtual

Connect an outlet FlowDevice to this reactor.

Reimplemented from ReactorBase.

Definition at line 79 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 84 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 88 of file ReactorSurface.h.

◆ setReactor()

void setReactor ( ReactorBase * reactor )

Set the reactor that this Surface interacts with.

Deprecated:: To be removed after Cantera 3.2. Superseded by constructor taking a list of adjacent reactors.

Definition at line 124 of file ReactorSurface.cpp.

◆ 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 136 of file ReactorSurface.cpp.

◆ setCoverages() [2/3]

void setCoverages ( const Composition & cov )

Set the surface coverages by name.

Definition at line 141 of file ReactorSurface.cpp.

◆ setCoverages() [3/3]

void setCoverages ( const string & cov )

Set the surface coverages by name.

Definition at line 147 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 153 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 158 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 171 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 179 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 191 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 199 of file ReactorSurface.cpp.

◆ setThermo()

void setThermo ( ThermoPhase & thermo )

inlineoverrideprotectedvirtual

Specify the mixture contained in the reactor.

Note that a pointer to this substance is stored, and as the integration proceeds, the state of the substance is modified.

Since: New in Cantera 3.1.

Deprecated:: To be removed after Cantera 3.2. Superseded by instantiation of ReactorBase with Solution object.

Reimplemented from ReactorBase.

Definition at line 137 of file ReactorSurface.h.

◆ setKinetics() [2/2]

void setKinetics ( Kinetics & kin )

overrideprotectedvirtual

Set the InterfaceKinetics object for this surface.

Method is needed to prevent compiler warnings by disambiguating from the non-protected variant.

Since: New in Cantera 3.2.

Deprecated:: To be removed after Cantera 3.2. Use constructor with Solution object instead.

Reimplemented from ReactorBase.

Definition at line 119 of file ReactorSurface.cpp.

Member Data Documentation

◆ m_area

double m_area = 1.0

protected

Definition at line 147 of file ReactorSurface.h.

◆ m_surf

SurfPhase* m_surf = nullptr

protected

Definition at line 149 of file ReactorSurface.h.

◆ m_kinetics

Kinetics* m_kinetics = nullptr

protected

Definition at line 150 of file ReactorSurface.h.

◆ m_reactors

vector<ReactorBase*> m_reactors

protected

Definition at line 151 of file ReactorSurface.h.

◆ m_cov

vector<double> m_cov

protected

Definition at line 152 of file ReactorSurface.h.

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

Detailed Description

Public Member Functions

Protected Member Functions

Protected Attributes

Constructor & Destructor Documentation

◆ ReactorSurface() [1/3]

◆ ReactorSurface() [2/3]

◆ ReactorSurface() [3/3]

Member Function Documentation

◆ type()

◆ area()

◆ setArea()

◆ thermo()

◆ kinetics()

◆ setKinetics() [1/2]

◆ addInlet()

◆ addOutlet()

◆ addWall()

◆ addSurface()

◆ setReactor()

◆ setCoverages() [1/3]

◆ setCoverages() [2/3]

◆ setCoverages() [3/3]

◆ getCoverages()

◆ restoreState()

◆ syncState()

◆ addSensitivityReaction()

◆ setSensitivityParameters()

◆ resetSensitivityParameters()

◆ setThermo()

◆ setKinetics() [2/2]

Member Data Documentation

◆ m_area

◆ m_surf

◆ m_kinetics

◆ m_reactors

◆ m_cov