Class IdealGasReactor is a class for stirred reactors that is specifically optimized for ideal gases. More...

#include <IdealGasReactor.h>

Inheritance diagram for IdealGasReactor:

Collaboration diagram for IdealGasReactor:

Public Member Functions
virtual std::string	typeStr () const
	String indicating the reactor model implemented. More...

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

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

virtual void	getState (doublereal *y)
	Get the the current state of the reactor. More...

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

virtual void	eval (double t, double LHS, double RHS)
	Evaluate the reactor governing equations. More...

virtual void	updateState (doublereal *y)
	Set the state of the reactor to correspond to the state vector y. More...

virtual size_t	componentIndex (const std::string &nm) const
	Return the index in the solution vector for this reactor of the component named nm. More...

std::string	componentName (size_t k)
	Return the name of the solution component with index i. More...

Public Member Functions inherited from Reactor
template<class G >
void	insert (G &contents)
	Insert something into the reactor. More...

void	insert (shared_ptr< Solution > sol)

virtual void	setKineticsMgr (Kinetics &kin)
	Specify chemical kinetics governing the reactor. More...

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

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

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

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

size_t	neq ()
	Number of equations (state variables) for this reactor. More...

virtual void	evalEqs (double t, double y, double ydot, double *params)

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

virtual size_t	nSensParams ()
	Number of sensitivity parameters associated with this reactor (including walls) More...

virtual void	addSensitivityReaction (size_t rxn)
	Add a sensitivity parameter associated with the reaction number rxn (in the homogeneous phase). More...

virtual void	addSensitivitySpeciesEnthalpy (size_t k)
	Add a sensitivity parameter associated with the enthalpy formation of species k (in the homogeneous phase) More...

void	setAdvanceLimits (const double *limits)
	Set absolute step size limits during advance. More...

bool	hasAdvanceLimits ()
	Check whether Reactor object uses advance limits. More...

bool	getAdvanceLimits (double *limits)
	Retrieve absolute step size limits during advance. More...

void	setAdvanceLimit (const std::string &nm, const double limit)
	Set individual step size limit for component name nm More...

virtual void	applySensitivity (double *params)
	Set reaction rate multipliers based on the sensitivity variables in params. More...

virtual void	resetSensitivity (double *params)
	Reset the reaction rate multipliers. More...

Public Member Functions inherited from ReactorBase
	ReactorBase (const std::string &name="(none)")

	ReactorBase (const ReactorBase &)=delete

ReactorBase &	operator= (const ReactorBase &)=delete

std::string	name () const
	Return the name of this reactor. More...

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

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

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

const ThermoPhase &	contents () const

doublereal	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. More...

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

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

void	setInitialVolume (doublereal vol)
	Set the initial reactor volume. By default, the volume is 1.0 m^3. More...

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

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

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

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

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

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

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

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

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

void	addSurface (ReactorSurface *surf)

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

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

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

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

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

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

doublereal	pressure () const
	Returns the current pressure (Pa) of the reactor. More...

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

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

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

Protected Attributes
vector_fp	m_uk
	Species molar internal energies. More...

Protected Attributes inherited from Reactor
Kinetics *	m_kin
	Pointer to the homogeneous Kinetics object that handles the reactions. More...

doublereal	m_vdot
	net rate of volume change from moving walls [m^3/s] More...

double	m_Q
	net heat transfer out of the reactor, through walls [W] More...

double	m_Qdot
	net heat transfer into the reactor, through walls [W] More...

doublereal	m_mass
	total mass More...

vector_fp	m_work

vector_fp	m_sdot
	Production rates of gas phase species on surfaces [kmol/s]. More...

vector_fp	m_wdot
	Species net molar production rates. More...

vector_fp	m_uk
	Species molar internal energies. More...

bool	m_chem

bool	m_energy

size_t	m_nv

size_t	m_nv_surf

vector_fp	m_advancelimits
	!< Number of variables associated with reactor surfaces More...

std::vector< SensitivityParameter >	m_sensParams

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

ThermoPhase *	m_thermo

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

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

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

double	m_pressure
	Current pressure in the reactor [Pa]. More...

vector_fp	m_state

std::vector< FlowDevice * >	m_inlet

std::vector< FlowDevice * >	m_outlet

std::vector< WallBase * >	m_wall

std::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. More...

std::string	m_name

ReactorNet *	m_net
	The ReactorNet that this reactor is part of. More...

Additional Inherited Members
Protected Member Functions inherited from Reactor
virtual size_t	speciesIndex (const std::string &nm) const
	Return the index in the solution vector for this reactor of the species named nm, in either the homogeneous phase or a surface phase, relative to the start of the species terms. More...

virtual void	evalWalls (double t)
	Evaluate terms related to Walls. More...

virtual void	evalSurfaces (double LHS, double RHS, double *sdot)
	Evaluate terms related to surface reactions. More...

virtual void	updateSurfaceState (double *y)
	Update the state of SurfPhase objects attached to this reactor. More...

virtual void	updateConnected (bool updatePressure)
	Update the state information needed by connected reactors and flow devices. More...

virtual void	getSurfaceInitialConditions (double *y)
	Get initial conditions for SurfPhase objects attached to this reactor. More...

Detailed Description

Class IdealGasReactor is a class for stirred reactors that is specifically optimized for ideal gases.

In this formulation, temperature replaces the total internal energy as a state variable.

Definition at line 19 of file IdealGasReactor.h.

Constructor & Destructor Documentation

◆ IdealGasReactor()

IdealGasReactor ( )

inline

Definition at line 22 of file IdealGasReactor.h.

Member Function Documentation

◆ typeStr()

virtual std::string typeStr ( ) const

inlinevirtual

String indicating the reactor model implemented.

Usually corresponds to the name of the derived class.

Deprecated:: To be removed after Cantera 2.6. Use type() instead.

Reimplemented from Reactor.

Definition at line 24 of file IdealGasReactor.h.

References Cantera::warn_deprecated().

◆ type()

virtual std::string type ( ) const

inlinevirtual

String indicating the reactor model implemented.

Usually corresponds to the name of the derived class.

Reimplemented from Reactor.

Definition at line 30 of file IdealGasReactor.h.

◆ setThermoMgr()

void setThermoMgr ( ThermoPhase & thermo )

virtual

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.

Reimplemented from ReactorBase.

Definition at line 18 of file IdealGasReactor.cpp.

References ReactorBase::setThermoMgr(), and ThermoPhase::type().

◆ getState()

void getState ( doublereal * y )

virtual

Get the the current state of the reactor.

Parameters

[out] y state vector representing the initial state of the reactor

Reimplemented from Reactor.

Definition at line 29 of file IdealGasReactor.cpp.

References Phase::density(), Phase::getMassFractions(), Reactor::getSurfaceInitialConditions(), Reactor::m_mass, ReactorBase::m_nsp, ReactorBase::m_vol, Phase::restoreState(), and Phase::temperature().

◆ initialize()

void initialize ( doublereal t0 = 0.0 )

virtual

Initialize the reactor.

Called automatically by ReactorNet::initialize.

Reimplemented from Reactor.

Definition at line 55 of file IdealGasReactor.cpp.

References Reactor::initialize(), ReactorBase::m_nsp, and IdealGasReactor::m_uk.

◆ eval()

void eval	(	double	t,
		double *	LHS,
		double *	RHS
	)

virtual

Evaluate the reactor governing equations.

Called by ReactorNet::eval.

Parameters

[in]	t	time.
[out]	LHS	pointer to start of vector of left-hand side coefficients for governing equations, length m_nv, default values 1
[out]	RHS	pointer to start of vector of right-hand side coefficients for governing equations, length m_nv, default values 0

Reimplemented from Reactor.

Definition at line 74 of file IdealGasReactor.cpp.

References ThermoPhase::cv_mass(), Cantera::dot(), FlowDevice::enthalpy_mass(), Reactor::evalSurfaces(), Reactor::evalWalls(), Kinetics::getNetProductionRates(), ThermoPhase::getPartialMolarIntEnergies(), ReactorBase::inlet(), Reactor::m_kin, Reactor::m_mass, ReactorBase::m_nsp, ReactorBase::m_pressure, Reactor::m_Qdot, Reactor::m_sdot, IdealGasReactor::m_uk, Reactor::m_vdot, ReactorBase::m_vol, Reactor::m_wdot, FlowDevice::massFlowRate(), Phase::massFractions(), Phase::molecularWeights(), ReactorBase::outlet(), FlowDevice::outletSpeciesMassFlowRate(), and Phase::restoreState().

◆ updateState()

void updateState ( doublereal * y )

virtual

Set the state of the reactor to correspond to the state vector y.

Reimplemented from Reactor.

Definition at line 61 of file IdealGasReactor.cpp.

References Reactor::m_mass, ReactorBase::m_nsp, ReactorBase::m_vol, Phase::setMassFractions_NoNorm(), Phase::setState_TR(), Reactor::updateConnected(), and Reactor::updateSurfaceState().

◆ componentIndex()

size_t componentIndex ( const std::string & nm ) const

virtual

Return the index in the solution vector for this reactor of the component named nm.

Possible values for nm are "mass", "volume", "temperature", the name of a homogeneous phase species, or the name of a surface species.

Reimplemented from Reactor.

Definition at line 140 of file IdealGasReactor.cpp.

References Cantera::npos, and Reactor::speciesIndex().

◆ componentName()

std::string componentName ( size_t k )

virtual

Return the name of the solution component with index i.

See also: componentIndex()

Reimplemented from Reactor.

Definition at line 156 of file IdealGasReactor.cpp.

References Reactor::componentName().

Member Data Documentation

◆ m_uk

vector_fp m_uk

protected

Species molar internal energies.

Definition at line 52 of file IdealGasReactor.h.

Referenced by IdealGasReactor::eval(), and IdealGasReactor::initialize().

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

Public Member Functions

Protected Attributes

Additional Inherited Members

Detailed Description

Constructor & Destructor Documentation

◆ IdealGasReactor()

Member Function Documentation

◆ typeStr()

◆ type()

◆ setThermoMgr()

◆ getState()

◆ initialize()

◆ eval()

◆ updateState()

◆ componentIndex()

◆ componentName()

Member Data Documentation

◆ m_uk