Base class for reactor objects. More...

#include <ReactorBase.h>

Inheritance diagram for ReactorBase:

Detailed Description

Base class for reactor objects.

Allows using any substance model, with arbitrary inflow, outflow, heat loss/gain, surface chemistry, and volume change, whenever defined.

Definition at line 48 of file ReactorBase.h.

Public Member Functions
	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 >	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.

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.

Methods to set up a simulation
virtual void	setInitialVolume (double vol)
	Set the initial reactor volume.

virtual double	area () const
	Returns an area associated with a reactor [m²].

virtual void	setArea (double a)
	Set an area associated with a reactor [m²].

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

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

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.

void	setEnergy (int eflag=1)
	Set the energy equation on or off.

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

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

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

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.

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

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

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

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.

Solution components
The values returned are those after the last call to ReactorNet::advance or ReactorNet::step.
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
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
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

◆ ReactorBase() [1/3]

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

explicit

Deprecated:: After Cantera 3.2, this constructor will become protected

Definition at line 16 of file ReactorBase.cpp.

◆ ReactorBase() [2/3]

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

Instantiate a ReactorBase object with Solution contents.

Parameters

sol	Solution object to be set.
name	Name of the reactor.

Since: New in Cantera 3.1.

Definition at line 22 of file ReactorBase.cpp.

◆ ReactorBase() [3/3]

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

Instantiate a ReactorBase object with Solution contents.

Parameters

sol	Solution object representing the contents of this reactor
clone	Determines whether to clone `sol` so that the internal state of this reactor is independent of the original Solution object and any Solution objects used by other reactors in the network.
name	Name of the reactor.

Since: Added the clone argument in Cantera 3.2. If not specified, the default behavior in Cantera 3.2 is not to clone the Solution object. This will change after Cantera 3.2 to default to true.

Definition at line 46 of file ReactorBase.cpp.

◆ ~ReactorBase()

~ReactorBase ( )

virtual

Definition at line 72 of file ReactorBase.cpp.

Member Function Documentation

◆ type()

virtual string type ( ) const

inlinevirtual

String indicating the reactor model implemented.

Usually corresponds to the name of the derived class.

Reimplemented in ConstPressureMoleReactor, ConstPressureReactor, FlowReactor, IdealGasConstPressureMoleReactor, IdealGasConstPressureReactor, IdealGasMoleReactor, IdealGasReactor, MoleReactor, Reactor, ReactorSurface, and Reservoir.

Definition at line 77 of file ReactorBase.h.

◆ name()

string name ( ) const

inline

Return the name of this reactor.

Definition at line 82 of file ReactorBase.h.

◆ setName()

void setName ( const string & name )

inline

Set the name of this reactor.

Definition at line 87 of file ReactorBase.h.

◆ setDefaultName()

bool setDefaultName ( map< string, int > & counts )

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

Definition at line 79 of file ReactorBase.cpp.

◆ setSolution()

void setSolution ( shared_ptr< Solution > sol )

Set the Solution specifying the ReactorBase content.

Parameters

sol	Solution object to be set.

Since: New in Cantera 3.1.

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

Definition at line 92 of file ReactorBase.cpp.

◆ phase() [1/2]

shared_ptr< Solution > phase ( )

inline

Access the Solution object used to represent the contents of this reactor.

Since: New in Cantera 3.2

Definition at line 103 of file ReactorBase.h.

◆ phase() [2/2]

shared_ptr< const Solution > phase ( ) const

inline

Access the Solution object used to represent the contents of this reactor.

Since: New in Cantera 3.2

Definition at line 107 of file ReactorBase.h.

◆ setInitialVolume()

virtual void setInitialVolume ( double vol )

inlinevirtual

Set the initial reactor volume.

Reimplemented in Reactor.

Definition at line 113 of file ReactorBase.h.

◆ area()

virtual double area ( ) const

inlinevirtual

Returns an area associated with a reactor [m²].

Examples: surface area of ReactorSurface or cross section area of FlowReactor.

Reimplemented in FlowReactor, and ReactorSurface.

Definition at line 120 of file ReactorBase.h.

◆ setArea()

virtual void setArea ( double a )

inlinevirtual

Set an area associated with a reactor [m²].

Examples: surface area of ReactorSurface or cross section area of FlowReactor.

Reimplemented in ReactorSurface, and FlowReactor.

Definition at line 127 of file ReactorBase.h.

◆ chemistryEnabled()

virtual bool chemistryEnabled ( ) const

inlinevirtual

Returns true if changes in the reactor composition due to chemical reactions are enabled.

Since: New in Cantera 3.2.

Reimplemented in Reactor.

Definition at line 135 of file ReactorBase.h.

◆ setChemistry()

void setChemistry ( bool cflag = true )

inline

Enable or disable changes in reactor composition due to chemical reactions.

Deprecated:: To be removed after Cantera 3.2. Renamed to setChemistryEnabled().

Definition at line 142 of file ReactorBase.h.

◆ setChemistryEnabled()

virtual void setChemistryEnabled ( bool cflag = true )

inlinevirtual

Enable or disable changes in reactor composition due to chemical reactions.

Since: New in Cantera 3.2.

Reimplemented in Reactor.

Definition at line 150 of file ReactorBase.h.

◆ energyEnabled()

virtual bool energyEnabled ( ) const

inlinevirtual

Returns true if solution of the energy equation is enabled.

Since: New in Cantera 3.2.

Reimplemented in Reactor.

Definition at line 157 of file ReactorBase.h.

◆ setEnergy()

void setEnergy ( int eflag = 1 )

inline

Set the energy equation on or off.

Deprecated:: To be removed after Cantera 3.2. Renamed to setEnergyEnabled().

Definition at line 164 of file ReactorBase.h.

◆ setEnergyEnabled()

virtual void setEnergyEnabled ( bool eflag = true )

inlinevirtual

Set the energy equation on or off.

Since: New in Cantera 3.2.

Reimplemented in Reactor.

Definition at line 172 of file ReactorBase.h.

◆ addInlet()

void addInlet ( FlowDevice & inlet )

virtual

Connect an inlet FlowDevice to this reactor.

Reimplemented in ReactorSurface.

Definition at line 131 of file ReactorBase.cpp.

◆ addOutlet()

void addOutlet ( FlowDevice & outlet )

virtual

Connect an outlet FlowDevice to this reactor.

Reimplemented in ReactorSurface.

Definition at line 136 of file ReactorBase.cpp.

◆ inlet()

FlowDevice & inlet ( size_t n = 0 )

Return a reference to the n-th inlet FlowDevice connected to this reactor.

Definition at line 228 of file ReactorBase.cpp.

◆ outlet()

FlowDevice & outlet ( size_t n = 0 )

Return a reference to the n-th outlet FlowDevice connected to this reactor.

Definition at line 232 of file ReactorBase.cpp.

◆ nInlets()

size_t nInlets ( )

inline

Return the number of inlet FlowDevice objects connected to this reactor.

Definition at line 190 of file ReactorBase.h.

◆ nOutlets()

size_t nOutlets ( )

inline

Return the number of outlet FlowDevice objects connected to this reactor.

Definition at line 195 of file ReactorBase.h.

◆ nWalls()

size_t nWalls ( )

inline

Return the number of Wall objects connected to this reactor.

Definition at line 200 of file ReactorBase.h.

◆ addWall()

void addWall	(	WallBase &	w,
		int	lr
	)

virtual

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 in ReactorSurface.

Definition at line 141 of file ReactorBase.cpp.

◆ wall()

WallBase & wall ( size_t n )

Return a reference to the n-th Wall connected to this reactor.

Definition at line 151 of file ReactorBase.cpp.

◆ addSurface() [1/2]

void addSurface ( ReactorSurface * surf )

virtual

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 in ReactorSurface.

Definition at line 156 of file ReactorBase.cpp.

◆ addSurface() [2/2]

void addSurface ( shared_ptr< ReactorBase > surf )

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.

Deprecated:: Unused. To be removed after Cantera 3.2.

Definition at line 164 of file ReactorBase.cpp.

◆ surface()

ReactorSurface * surface ( size_t n )

Return a reference to the n-th ReactorSurface connected to this reactor.

Definition at line 176 of file ReactorBase.cpp.

◆ nSurfs()

virtual size_t nSurfs ( ) const

inlinevirtual

Return the number of surfaces in a reactor.

Definition at line 232 of file ReactorBase.h.

◆ initialize()

virtual void initialize ( double t0 = 0.0 )

inlinevirtual

Initialize the reactor.

Called automatically by ReactorNet::initialize.

Reimplemented in ConstPressureMoleReactor, ConstPressureReactor, FlowReactor, IdealGasConstPressureMoleReactor, IdealGasConstPressureReactor, IdealGasMoleReactor, IdealGasReactor, MoleReactor, Reactor, and Reservoir.

Definition at line 239 of file ReactorBase.h.

◆ restoreState()

void restoreState ( )

virtual

Set the state of the Phase object associated with this reactor to the reactor's current state.

Reimplemented in ReactorSurface.

Definition at line 181 of file ReactorBase.cpp.

◆ syncState()

void syncState ( )

virtual

Set the state of the reactor to the associated ThermoPhase object.

This method is the inverse of restoreState() and will trigger integrator reinitialization.

Reimplemented in FlowReactor, and ReactorSurface.

Definition at line 188 of file ReactorBase.cpp.

◆ contents() [1/2]

ThermoPhase & contents ( )

inline

return a reference to the contents.

Deprecated:: To be removed after Cantera 3.2. Replaceable by ReactorBase->phase()->thermo().

Definition at line 257 of file ReactorBase.h.

◆ contents() [2/2]

const ThermoPhase & contents ( ) const

inline

return a reference to the contents.

Deprecated:: To be removed after Cantera 3.2. Replaceable by ReactorBase->phase()->thermo().

Definition at line 270 of file ReactorBase.h.

◆ residenceTime()

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.

Definition at line 219 of file ReactorBase.cpp.

◆ volume()

double volume ( ) const

inline

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

Definition at line 291 of file ReactorBase.h.

◆ density()

double density ( ) const

inline

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

Definition at line 296 of file ReactorBase.h.

◆ temperature()

double temperature ( ) const

inline

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

Definition at line 305 of file ReactorBase.h.

◆ enthalpy_mass()

double enthalpy_mass ( ) const

inline

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

Definition at line 314 of file ReactorBase.h.

◆ intEnergy_mass()

double intEnergy_mass ( ) const

inline

Returns the current internal energy (J/kg) of the reactor's contents.

Deprecated:: To be removed after Cantera 3.2.

Definition at line 320 of file ReactorBase.h.

◆ pressure()

double pressure ( ) const

inline

Returns the current pressure (Pa) of the reactor.

Definition at line 327 of file ReactorBase.h.

◆ mass()

double mass ( ) const

inline

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

Definition at line 332 of file ReactorBase.h.

◆ massFractions()

const double * massFractions ( ) const

inline

Return the vector of species mass fractions.

Definition at line 337 of file ReactorBase.h.

◆ massFraction()

double massFraction ( size_t k ) const

inline

Return the mass fraction of the k-th species.

Definition at line 346 of file ReactorBase.h.

◆ network()

ReactorNet & network ( )

The ReactorNet that this reactor belongs to.

Definition at line 204 of file ReactorBase.cpp.

◆ setNetwork()

void setNetwork ( ReactorNet * net )

Set the ReactorNet that this reactor belongs to.

Definition at line 214 of file ReactorBase.cpp.

◆ addSensitivityReaction()

virtual void addSensitivityReaction ( size_t rxn )

inlinevirtual

Add a sensitivity parameter associated with the reaction number rxn

Reimplemented in Reactor, and ReactorSurface.

Definition at line 363 of file ReactorBase.h.

◆ nSensParams()

virtual size_t nSensParams ( ) const

inlinevirtual

Number of sensitivity parameters associated with this reactor.

Reimplemented in Reactor.

Definition at line 368 of file ReactorBase.h.

◆ setThermo()

void setThermo ( ThermoPhase & thermo )

protectedvirtual

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 in ReactorSurface.

Definition at line 114 of file ReactorBase.cpp.

◆ setKinetics()

virtual void setKinetics ( Kinetics & kin )

inlineprotectedvirtual

Specify the kinetics manager for the reactor.

Called by setSolution().

Since: New in Cantera 3.1.

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

Reimplemented in Reactor, and ReactorSurface.

Definition at line 385 of file ReactorBase.h.

Member Data Documentation

◆ m_nsp

size_t m_nsp = 0

protected

Number of homogeneous species in the mixture.

Definition at line 390 of file ReactorBase.h.

◆ m_thermo

ThermoPhase* m_thermo = nullptr

protected

Definition at line 392 of file ReactorBase.h.

◆ m_vol

double m_vol = 0.0

protected

Current volume of the reactor [m^3].

Definition at line 393 of file ReactorBase.h.

◆ m_mass

double m_mass = 0.0

protected

Current mass of the reactor [kg].

Definition at line 394 of file ReactorBase.h.

◆ m_enthalpy

double m_enthalpy = 0.0

protected

Current specific enthalpy of the reactor [J/kg].

Definition at line 395 of file ReactorBase.h.

◆ m_intEnergy

double m_intEnergy = 0.0

protected

Current internal energy of the reactor [J/kg].

Deprecated:: To be removed after Cantera 3.2

Definition at line 399 of file ReactorBase.h.

◆ m_pressure

double m_pressure = 0.0

protected

Current pressure in the reactor [Pa].

Definition at line 400 of file ReactorBase.h.

◆ m_state

vector<double> m_state

protected

Definition at line 401 of file ReactorBase.h.

◆ m_inlet

vector<FlowDevice*> m_inlet

protected

Definition at line 402 of file ReactorBase.h.

◆ m_outlet

vector<FlowDevice*> m_outlet

protected

Definition at line 402 of file ReactorBase.h.

◆ m_wall

vector<WallBase*> m_wall

protected

Definition at line 404 of file ReactorBase.h.

◆ m_surfaces

vector<ReactorSurface*> m_surfaces

protected

Definition at line 405 of file ReactorBase.h.

◆ m_lr

vector<int> m_lr

protected

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

Definition at line 409 of file ReactorBase.h.

◆ m_name

string m_name

protected

Reactor name.

Definition at line 410 of file ReactorBase.h.

◆ m_defaultNameSet

bool m_defaultNameSet = false

protected

true if default name has been previously set.

Definition at line 411 of file ReactorBase.h.

◆ m_net

ReactorNet* m_net = nullptr

protected

The ReactorNet that this reactor is part of.

Definition at line 414 of file ReactorBase.h.

◆ m_solution

shared_ptr<Solution> m_solution

protected

Composite thermo/kinetics/transport handler.

Definition at line 417 of file ReactorBase.h.

◆ m_sensParams

vector<SensitivityParameter> m_sensParams

protected

Definition at line 420 of file ReactorBase.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

◆ ReactorBase() [1/3]

◆ ReactorBase() [2/3]

◆ ReactorBase() [3/3]

◆ ~ReactorBase()

Member Function Documentation

◆ type()

◆ name()

◆ setName()

◆ setDefaultName()

◆ setSolution()

◆ phase() [1/2]

◆ phase() [2/2]

◆ setInitialVolume()

◆ area()

◆ setArea()

◆ chemistryEnabled()

◆ setChemistry()

◆ setChemistryEnabled()

◆ energyEnabled()

◆ setEnergy()

◆ setEnergyEnabled()

◆ addInlet()

◆ addOutlet()

◆ inlet()

◆ outlet()

◆ nInlets()

◆ nOutlets()

◆ nWalls()

◆ addWall()

◆ wall()

◆ addSurface() [1/2]

◆ addSurface() [2/2]

◆ surface()

◆ nSurfs()

◆ initialize()

◆ restoreState()

◆ syncState()

◆ contents() [1/2]

◆ contents() [2/2]

◆ residenceTime()

◆ volume()

◆ density()

◆ temperature()

◆ enthalpy_mass()

◆ intEnergy_mass()

◆ pressure()

◆ mass()

◆ massFractions()

◆ massFraction()

◆ network()

◆ setNetwork()

◆ addSensitivityReaction()

◆ nSensParams()

◆ setThermo()

◆ setKinetics()

Member Data Documentation

◆ m_nsp

◆ m_thermo

◆ m_vol

◆ m_mass

◆ m_enthalpy

◆ m_intEnergy

◆ m_pressure

◆ m_state

◆ m_inlet

◆ m_outlet

◆ m_wall

◆ m_surfaces

◆ m_lr

◆ m_name

◆ m_defaultNameSet

◆ m_net

◆ m_solution

◆ m_sensParams