Cantera  3.1.0a1
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IdealGasConstPressureMoleReactor Class Reference

IdealGasConstPressureMoleReactor is a class for ideal gas constant-pressure reactors which use a state of moles. More...

#include <IdealGasConstPressureMoleReactor.h>

Inheritance diagram for IdealGasConstPressureMoleReactor:
[legend]

Detailed Description

IdealGasConstPressureMoleReactor is a class for ideal gas constant-pressure reactors which use a state of moles.

Since
New in Cantera 3.0

Definition at line 20 of file IdealGasConstPressureMoleReactor.h.

Public Member Functions

string type () const override
 String indicating the reactor model implemented.
 
size_t componentIndex (const string &nm) const override
 Return the index in the solution vector for this reactor of the component named nm.
 
string componentName (size_t k) override
 Return the name of the solution component with index i.
 
void setThermoMgr (ThermoPhase &thermo) override
 Specify the mixture contained in the reactor.
 
void getState (double *y) override
 Get the the current state of the reactor.
 
void initialize (double t0=0.0) override
 Initialize the reactor.
 
void eval (double t, double *LHS, double *RHS) override
 Evaluate the reactor governing equations.
 
void updateState (double *y) override
 Set the state of the reactor to correspond to the state vector y.
 
Eigen::SparseMatrix< double > jacobian () override
 Calculate an approximate Jacobian to accelerate preconditioned solvers.
 
bool preconditionerSupported () const override
 Return a false if preconditioning is not supported or true otherwise.
 
string type () const override
 String indicating the reactor model implemented.
 
size_t componentIndex (const string &nm) const override
 Return the index in the solution vector for this reactor of the component named nm.
 
string componentName (size_t k) override
 Return the name of the solution component with index i.
 
void getState (double *y) override
 Get the the current state of the reactor.
 
void initialize (double t0=0.0) override
 Initialize the reactor.
 
void eval (double t, double *LHS, double *RHS) override
 Evaluate the reactor governing equations.
 
void updateState (double *y) override
 Set the state of the reactor to correspond to the state vector y.
 
- Public Member Functions inherited from MoleReactor
string type () const override
 String indicating the reactor model implemented.
 
void initialize (double t0=0.0) override
 Initialize the reactor.
 
void getState (double *y) override
 Get the the current state of the reactor.
 
void updateState (double *y) override
 Set the state of the reactor to correspond to the state vector y.
 
void eval (double t, double *LHS, double *RHS) override
 Evaluate the reactor governing equations.
 
size_t componentIndex (const string &nm) const override
 Return the index in the solution vector for this reactor of the component named nm.
 
string componentName (size_t k) override
 Return the name of the solution component with index i.
 
 Reactor (shared_ptr< Solution > sol, const string &name="(none)")
 
- Public Member Functions inherited from Reactor
 Reactor (shared_ptr< Solution > sol, const string &name="(none)")
 
string type () const override
 String indicating the reactor model implemented.
 
virtual bool isOde () const
 Indicate whether the governing equations for this reactor type are a system of ODEs or DAEs.
 
virtual bool timeIsIndependent () const
 Indicates whether the governing equations for this reactor are functions of time or a spatial variable.
 
template<class G >
void insert (G &contents)
 Insert something into the reactor.
 
void setKineticsMgr (Kinetics &kin) override
 
void setChemistry (bool cflag=true) override
 Enable or disable changes in reactor composition due to chemical reactions.
 
bool chemistryEnabled () const
 Returns true if changes in the reactor composition due to chemical reactions are enabled.
 
void setEnergy (int eflag=1) override
 Set the energy equation on or off.
 
bool energyEnabled () const
 Returns true if solution of the energy equation is enabled.
 
size_t neq ()
 Number of equations (state variables) for this reactor.
 
virtual void getState (double *y)
 Get the the current state of the reactor.
 
virtual void getStateDae (double *y, double *ydot)
 Get the current state and derivative vector of the reactor for a DAE solver.
 
void initialize (double t0=0.0) override
 Initialize the reactor.
 
virtual void eval (double t, double *LHS, double *RHS)
 Evaluate the reactor governing equations.
 
virtual void evalDae (double t, double *y, double *ydot, double *residual)
 Evaluate the reactor governing equations.
 
virtual void getConstraints (double *constraints)
 Given a vector of length neq(), mark which variables should be considered algebraic constraints.
 
void syncState () override
 Set the state of the reactor to correspond to the state of the associated ThermoPhase object.
 
virtual void updateState (double *y)
 Set the state of the reactor to correspond to the state vector y.
 
virtual size_t nSensParams () const
 Number of sensitivity parameters associated with this reactor (including walls)
 
virtual void addSensitivityReaction (size_t rxn)
 Add a sensitivity parameter associated with the reaction number rxn (in the homogeneous phase).
 
virtual void addSensitivitySpeciesEnthalpy (size_t k)
 Add a sensitivity parameter associated with the enthalpy formation of species k (in the homogeneous phase)
 
virtual size_t componentIndex (const string &nm) const
 Return the index in the solution vector for this reactor of the component named nm.
 
virtual string componentName (size_t k)
 Return the name of the solution component with index i.
 
void setAdvanceLimits (const double *limits)
 Set absolute step size limits during advance.
 
bool hasAdvanceLimits () const
 Check whether Reactor object uses advance limits.
 
bool getAdvanceLimits (double *limits) const
 Retrieve absolute step size limits during advance.
 
void setAdvanceLimit (const string &nm, const double limit)
 Set individual step size limit for component name nm
 
virtual Eigen::SparseMatrix< double > jacobian ()
 Calculate the Jacobian of a specific Reactor specialization.
 
Eigen::SparseMatrix< double > finiteDifferenceJacobian ()
 Calculate the reactor-specific Jacobian using a finite difference method.
 
virtual void setDerivativeSettings (AnyMap &settings)
 Use this to set the kinetics objects derivative settings.
 
virtual void applySensitivity (double *params)
 Set reaction rate multipliers based on the sensitivity variables in params.
 
virtual void resetSensitivity (double *params)
 Reset the reaction rate multipliers.
 
virtual bool preconditionerSupported () const
 Return a false if preconditioning is not supported or true otherwise.
 
 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
 
void insert (shared_ptr< Solution > sol)
 
- 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 (const ReactorBase &)=delete
 
ReactorBaseoperator= (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.
 
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.
 
ThermoPhasecontents ()
 return a reference to the contents.
 
const ThermoPhasecontents () 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.
 
ReactorNetnetwork ()
 The ReactorNet that this reactor belongs to.
 
void setNetwork (ReactorNet *net)
 Set the ReactorNet that this reactor belongs to.
 
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 addInlet (FlowDevice &inlet)
 Connect an inlet FlowDevice to this reactor.
 
void addOutlet (FlowDevice &outlet)
 Connect an outlet FlowDevice to this reactor.
 
FlowDeviceinlet (size_t n=0)
 Return a reference to the n-th inlet FlowDevice connected to this reactor.
 
FlowDeviceoutlet (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.
 
WallBasewall (size_t n)
 Return a reference to the n-th Wall connected to this reactor.
 
virtual void addSurface (ReactorSurface *surf)
 
ReactorSurfacesurface (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.
 
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 Attributes

vector< double > m_hk
 Species molar enthalpies.
 
- Protected Attributes inherited from ConstPressureMoleReactor
const size_t m_sidx = 1
 
- Protected Attributes inherited from MoleReactor
const size_t m_sidx = 2
 const value for the species start index
 
- Protected Attributes inherited from Reactor
Kineticsm_kin = nullptr
 Pointer to the homogeneous Kinetics object that handles the reactions.
 
double m_vdot = 0.0
 net rate of volume change from moving walls [m^3/s]
 
double m_Qdot = 0.0
 net heat transfer into the reactor, through walls [W]
 
double m_mass = 0.0
 total mass
 
vector< double > m_work
 
vector< double > m_sdot
 Production rates of gas phase species on surfaces [kmol/s].
 
vector< double > m_wdot
 Species net molar production rates.
 
vector< double > m_uk
 Species molar internal energies.
 
bool m_chem = false
 
bool m_energy = true
 
size_t m_nv = 0
 
size_t m_nv_surf
 
vector< double > m_advancelimits
 !< Number of variables associated with reactor surfaces
 
vector< SensitivityParameterm_sensParams
 
vector< Eigen::Triplet< double > > m_jac_trips
 Vector of triplets representing the jacobian.
 
- Protected Attributes inherited from ReactorBase
size_t m_nsp = 0
 Number of homogeneous species in the mixture.
 
ThermoPhasem_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
 
ReactorNetm_net = nullptr
 The ReactorNet that this reactor is part of.
 
shared_ptr< Solutionm_solution
 Composite thermo/kinetics/transport handler.
 

Additional Inherited Members

- Protected Member Functions inherited from MoleReactor
virtual void addSurfaceJacobian (vector< Eigen::Triplet< double > > &triplets)
 For each surface in the reactor, update vector of triplets with all relevant surface jacobian derivatives of species with respect to species which are appropriately offset to align with the reactor's state vector.
 
void getMoles (double *y)
 Get moles of the system from mass fractions stored by thermo object.
 
void setMassFromMoles (double *y)
 Set internal mass variable based on moles given.
 
void evalSurfaces (double *LHS, double *RHS, double *sdot) override
 Evaluate terms related to surface reactions.
 
void updateSurfaceState (double *y) override
 Update the state of SurfPhase objects attached to this reactor.
 
void getSurfaceInitialConditions (double *y) override
 Get initial conditions for SurfPhase objects attached to this reactor.
 
- Protected Member Functions inherited from Reactor
virtual size_t speciesIndex (const 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.
 
virtual void evalWalls (double t)
 Evaluate terms related to Walls.
 
virtual void evalSurfaces (double *LHS, double *RHS, double *sdot)
 Evaluate terms related to surface reactions.
 
virtual void evalSurfaces (double *RHS, double *sdot)
 
virtual void updateSurfaceState (double *y)
 Update the state of SurfPhase objects attached to this reactor.
 
virtual void updateConnected (bool updatePressure)
 Update the state information needed by connected reactors, flow devices, and reactor walls.
 
virtual void getSurfaceInitialConditions (double *y)
 Get initial conditions for SurfPhase objects attached to this reactor.
 

Member Function Documentation

◆ type()

string type ( ) const
inlineoverridevirtual

String indicating the reactor model implemented.

Usually corresponds to the name of the derived class.

Reimplemented from ConstPressureMoleReactor.

Definition at line 25 of file IdealGasConstPressureMoleReactor.h.

◆ componentIndex()

size_t componentIndex ( const string &  nm) const
overridevirtual

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

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

Reimplemented from ConstPressureMoleReactor.

Definition at line 239 of file IdealGasConstPressureMoleReactor.cpp.

◆ componentName()

string componentName ( size_t  k)
overridevirtual

Return the name of the solution component with index i.

See also
componentIndex()

Reimplemented from ConstPressureMoleReactor.

Definition at line 251 of file IdealGasConstPressureMoleReactor.cpp.

◆ setThermoMgr()

void setThermoMgr ( ThermoPhase thermo)
overridevirtual

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
After Cantera 3.1, this method will be become a 'protected' method for internal use only.
Todo:
make protected

Reimplemented from ReactorBase.

Definition at line 20 of file IdealGasConstPressureMoleReactor.cpp.

◆ getState()

void getState ( double *  y)
overridevirtual

Get the the current state of the reactor.

Parameters
[out]ystate vector representing the initial state of the reactor

Reimplemented from ConstPressureMoleReactor.

Definition at line 29 of file IdealGasConstPressureMoleReactor.cpp.

◆ initialize()

void initialize ( double  t0 = 0.0)
overridevirtual

Initialize the reactor.

Called automatically by ReactorNet::initialize.

Reimplemented from ConstPressureMoleReactor.

Definition at line 46 of file IdealGasConstPressureMoleReactor.cpp.

◆ eval()

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

Evaluate the reactor governing equations.

Called by ReactorNet::eval.

Parameters
[in]ttime.
[out]LHSpointer to start of vector of left-hand side coefficients for governing equations, length m_nv, default values 1
[out]RHSpointer to start of vector of right-hand side coefficients for governing equations, length m_nv, default values 0

Reimplemented from ConstPressureMoleReactor.

Definition at line 65 of file IdealGasConstPressureMoleReactor.cpp.

◆ updateState()

void updateState ( double *  y)
overridevirtual

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

Reimplemented from ConstPressureMoleReactor.

Definition at line 52 of file IdealGasConstPressureMoleReactor.cpp.

◆ jacobian()

Eigen::SparseMatrix< double > jacobian ( )
overridevirtual

Calculate an approximate Jacobian to accelerate preconditioned solvers.

Neglects derivatives with respect to mole fractions that would generate a fully-dense Jacobian. Currently also neglects terms related to interactions between reactors, for example via inlets and outlets.

Reimplemented from Reactor.

Definition at line 122 of file IdealGasConstPressureMoleReactor.cpp.

◆ preconditionerSupported()

bool preconditionerSupported ( ) const
inlineoverridevirtual

Return a false if preconditioning is not supported or true otherwise.

Warning
This method is an experimental part of the Cantera API and may be changed or removed without notice.
Since
New in Cantera 3.0

Reimplemented from Reactor.

Definition at line 50 of file IdealGasConstPressureMoleReactor.h.

Member Data Documentation

◆ m_hk

vector<double> m_hk
protected

Species molar enthalpies.

Definition at line 53 of file IdealGasConstPressureMoleReactor.h.


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