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Cantera
3.0.0
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Class IdealGasReactor is a class for stirred reactors that is specifically optimized for ideal gases. More...
#include <IdealGasReactor.h>
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 20 of file IdealGasReactor.h.
Public Member Functions | |
| string | type () const override |
| String indicating the reactor model implemented. | |
| 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. | |
| 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. | |
Public Member Functions inherited from Reactor | |
| 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 | insert (shared_ptr< Solution > sol) |
| void | setKineticsMgr (Kinetics &kin) override |
| Specify chemical kinetics governing the reactor. | |
| 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 | 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 | 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 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) | |
| 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. | |
Public Member Functions inherited from ReactorBase | |
| ReactorBase (const string &name="(none)") | |
| ReactorBase (const ReactorBase &)=delete | |
| ReactorBase & | operator= (const ReactorBase &)=delete |
| string | name () const |
| Return the name of this reactor. | |
| void | setName (const string &name) |
| Set the name of this reactor. | |
| void | restoreState () |
| Set the state of the Phase object associated with this reactor to the reactor's current state. | |
| 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. | |
| void | setInitialVolume (double vol) |
| Set the initial reactor volume. By default, the volume is 1.0 m^3. | |
| 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. | |
| 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_uk |
| Species molar internal energies. | |
Protected Attributes inherited from Reactor | |
| Kinetics * | m_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< SensitivityParameter > | m_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. | |
| 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 |
| ReactorNet * | m_net = nullptr |
| The ReactorNet that this reactor is part of. | |
Additional Inherited Members | |
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. | |
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inline |
Definition at line 23 of file IdealGasReactor.h.
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inlineoverridevirtual |
String indicating the reactor model implemented.
Usually corresponds to the name of the derived class.
Reimplemented from ReactorBase.
Definition at line 25 of file IdealGasReactor.h.
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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.
Reimplemented from ReactorBase.
Definition at line 16 of file IdealGasReactor.cpp.
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overridevirtual |
Get the the current state of the reactor.
| [out] | y | state vector representing the initial state of the reactor |
Reimplemented from Reactor.
Definition at line 27 of file IdealGasReactor.cpp.
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overridevirtual |
Initialize the reactor.
Called automatically by ReactorNet::initialize.
Reimplemented from ReactorBase.
Definition at line 53 of file IdealGasReactor.cpp.
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overridevirtual |
Evaluate the reactor governing equations.
Called by ReactorNet::eval.
| [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 72 of file IdealGasReactor.cpp.
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overridevirtual |
Set the state of the reactor to correspond to the state vector y.
Reimplemented from Reactor.
Definition at line 59 of file IdealGasReactor.cpp.
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overridevirtual |
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 138 of file IdealGasReactor.cpp.
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overridevirtual |
Return the name of the solution component with index i.
Reimplemented from Reactor.
Definition at line 154 of file IdealGasReactor.cpp.
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protected |
Species molar internal energies.
Definition at line 47 of file IdealGasReactor.h.