Base class for stirred reactors. More...

#include <ReactorBase.h>

Inheritance diagram for ReactorBase:

Detailed Description

Base class for stirred reactors.

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

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 (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.

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 correspond to the state of the associated ThermoPhase object.

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

const ThermoPhase &	contents () const

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.

Methods to set up a simulation
void	setInitialVolume (double vol)
	Set the initial reactor volume. By default, the volume is 1.0 m^3.

void	insert (shared_ptr< Solution > sol)

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

void	setKineticsMgr (Kinetics &kin)

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.

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

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.

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)

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

virtual size_t	nSurfs ()
	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 = 1.0
	Current volume of the reactor [m^3].

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.

Constructor & Destructor Documentation

◆ ReactorBase() [1/2]

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

explicit

Definition at line 16 of file ReactorBase.cpp.

◆ ReactorBase() [2/2]

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 20 of file ReactorBase.cpp.

◆ ~ReactorBase()

~ReactorBase ( )

virtual

Definition at line 33 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, and Reservoir.

Definition at line 63 of file ReactorBase.h.

◆ name()

string name ( ) const

inline

Return the name of this reactor.

Definition at line 68 of file ReactorBase.h.

◆ setName()

void setName ( const string & name )

inline

Set the name of this reactor.

Definition at line 73 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 40 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.

Definition at line 53 of file ReactorBase.cpp.

◆ setInitialVolume()

void setInitialVolume ( double vol )

inline

Set the initial reactor volume. By default, the volume is 1.0 m^3.

Definition at line 89 of file ReactorBase.h.

◆ insert()

void insert ( shared_ptr< Solution > sol )

Deprecated:: To be removed after Cantera 3.1. Superseded by setSolution.

Definition at line 71 of file ReactorBase.cpp.

◆ setThermoMgr()

void setThermoMgr ( ThermoPhase & thermo )

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.

Deprecated:: To be removed after Cantera 3.1. Superseded by setSolution.

Definition at line 88 of file ReactorBase.cpp.

◆ setKineticsMgr()

void setKineticsMgr ( Kinetics & kin )

Deprecated:: To be removed after Cantera 3.1. Superseded by setSolution.

Definition at line 95 of file ReactorBase.cpp.

◆ setChemistry()

virtual void setChemistry ( bool cflag = true )

inlinevirtual

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

Reimplemented in Reactor.

Definition at line 106 of file ReactorBase.h.

◆ setEnergy()

virtual void setEnergy ( int eflag = 1 )

inlinevirtual

Set the energy equation on or off.

Reimplemented in Reactor.

Definition at line 111 of file ReactorBase.h.

◆ addInlet()

void addInlet ( FlowDevice & inlet )

Connect an inlet FlowDevice to this reactor.

Definition at line 113 of file ReactorBase.cpp.

◆ addOutlet()

void addOutlet ( FlowDevice & outlet )

Connect an outlet FlowDevice to this reactor.

Definition at line 118 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 182 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 186 of file ReactorBase.cpp.

◆ nInlets()

size_t nInlets ( )

inline

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

Definition at line 130 of file ReactorBase.h.

◆ nOutlets()

size_t nOutlets ( )

inline

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

Definition at line 136 of file ReactorBase.h.

◆ nWalls()

size_t nWalls ( )

inline

Return the number of Wall objects connected to this reactor.

Definition at line 141 of file ReactorBase.h.

◆ addWall()

void addWall	(	WallBase &	w,
		int	lr
	)

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.

Definition at line 123 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 133 of file ReactorBase.cpp.

◆ addSurface()

void addSurface ( ReactorSurface * surf )

virtual

Definition at line 138 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 146 of file ReactorBase.cpp.

◆ nSurfs()

virtual size_t nSurfs ( )

inlinevirtual

Return the number of surfaces in a reactor.

Definition at line 163 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 170 of file ReactorBase.h.

◆ restoreState()

void restoreState ( )

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

Definition at line 151 of file ReactorBase.cpp.

◆ syncState()

void syncState ( )

virtual

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

This is the inverse of restoreState(). Calling this will trigger integrator reinitialization.

Reimplemented in FlowReactor, and Reactor.

Definition at line 102 of file ReactorBase.cpp.

◆ contents() [1/2]

ThermoPhase & contents ( )

inline

return a reference to the contents.

Definition at line 186 of file ReactorBase.h.

◆ contents() [2/2]

const ThermoPhase & contents ( ) const

inline

Definition at line 194 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 173 of file ReactorBase.cpp.

◆ volume()

double volume ( ) const

inline

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

Definition at line 213 of file ReactorBase.h.

◆ density()

double density ( ) const

inline

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

Definition at line 218 of file ReactorBase.h.

◆ temperature()

double temperature ( ) const

inline

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

Definition at line 227 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 236 of file ReactorBase.h.

◆ intEnergy_mass()

double intEnergy_mass ( ) const

inline

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

Definition at line 241 of file ReactorBase.h.

◆ pressure()

double pressure ( ) const

inline

Returns the current pressure (Pa) of the reactor.

Definition at line 246 of file ReactorBase.h.

◆ mass()

double mass ( ) const

inline

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

Definition at line 251 of file ReactorBase.h.

◆ massFractions()

const double * massFractions ( ) const

inline

Return the vector of species mass fractions.

Definition at line 256 of file ReactorBase.h.

◆ massFraction()

double massFraction ( size_t k ) const

inline

Return the mass fraction of the k-th species.

Definition at line 265 of file ReactorBase.h.

◆ network()

ReactorNet & network ( )

The ReactorNet that this reactor belongs to.

Definition at line 158 of file ReactorBase.cpp.

◆ setNetwork()

void setNetwork ( ReactorNet * net )

Set the ReactorNet that this reactor belongs to.

Definition at line 168 of file ReactorBase.cpp.

◆ 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.

Reimplemented in IdealGasConstPressureMoleReactor, IdealGasConstPressureReactor, IdealGasMoleReactor, and IdealGasReactor.

Definition at line 78 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.

Reimplemented in Reactor.

Definition at line 290 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 295 of file ReactorBase.h.

◆ m_thermo

ThermoPhase* m_thermo = nullptr

protected

Definition at line 297 of file ReactorBase.h.

◆ m_vol

double m_vol = 1.0

protected

Current volume of the reactor [m^3].

Definition at line 298 of file ReactorBase.h.

◆ m_enthalpy

double m_enthalpy = 0.0

protected

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

Definition at line 299 of file ReactorBase.h.

◆ m_intEnergy

double m_intEnergy = 0.0

protected

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

Definition at line 300 of file ReactorBase.h.

◆ m_pressure

double m_pressure = 0.0

protected

Current pressure in the reactor [Pa].

Definition at line 301 of file ReactorBase.h.

◆ m_state

vector<double> m_state

protected

Definition at line 302 of file ReactorBase.h.

◆ m_inlet

vector<FlowDevice*> m_inlet

protected

Definition at line 303 of file ReactorBase.h.

◆ m_outlet

vector<FlowDevice*> m_outlet

protected

Definition at line 303 of file ReactorBase.h.

◆ m_wall

vector<WallBase*> m_wall

protected

Definition at line 305 of file ReactorBase.h.

◆ m_surfaces

vector<ReactorSurface*> m_surfaces

protected

Definition at line 306 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 310 of file ReactorBase.h.

◆ m_name

string m_name

protected

Reactor name.

Definition at line 311 of file ReactorBase.h.

◆ m_defaultNameSet

bool m_defaultNameSet = false

protected

true if default name has been previously set.

Definition at line 312 of file ReactorBase.h.

◆ m_net

ReactorNet* m_net = nullptr

protected

The ReactorNet that this reactor is part of.

Definition at line 315 of file ReactorBase.h.

◆ m_solution

shared_ptr<Solution> m_solution

protected

Composite thermo/kinetics/transport handler.

Definition at line 318 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() [1/2]

◆ ReactorBase() [2/2]

◆ ~ReactorBase()

Member Function Documentation

◆ type()

◆ name()

◆ setName()

◆ setDefaultName()

◆ setSolution()

◆ setInitialVolume()

◆ insert()

◆ setThermoMgr()

◆ setKineticsMgr()

◆ setChemistry()

◆ setEnergy()

◆ addInlet()

◆ addOutlet()

◆ inlet()

◆ outlet()

◆ nInlets()

◆ nOutlets()

◆ nWalls()

◆ addWall()

◆ wall()

◆ addSurface()

◆ 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()

◆ setThermo()

◆ setKinetics()

Member Data Documentation

◆ m_nsp

◆ m_thermo

◆ m_vol

◆ 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