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Public Member Functions | Protected Attributes | List of all members
IdealGasConstPressureMoleReactor Class Reference
Zero-Dimensional Reactor Networks » Reactors

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.
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.
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
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.
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_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
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 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 *RHS, double *sdot)
virtual void | updateConnected (bool updatePressure)
| Update the state information needed by connected reactors, flow devices, and reactor walls.

## Constructor & Destructor Documentation

## ◆ IdealGasConstPressureMoleReactor()

IdealGasConstPressureMoleReactor | ( |  | ) |
| inline

Definition at line 23 of file IdealGasConstPressureMoleReactor.h.

## Member Function Documentation

## ◆ type()

string type | ( |  | ) | const
| inline override virtual

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
| override virtual

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 | ) |
| override virtual

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 | ) |
| override 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 20 of file IdealGasConstPressureMoleReactor.cpp.

## ◆ getState()

void getState | ( | double * | y | ) |
| override virtual

Get the the current state of the reactor.

Parameters

  [out] | y | state 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` | ) |
| override virtual

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
| ) |  |
| override 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 ConstPressureMoleReactor.

Definition at line 65 of file IdealGasConstPressureMoleReactor.cpp.

## ◆ updateState()

void updateState | ( | double * | y | ) |
| override virtual

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 | ( |  | ) |
| override virtual

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
| inline override virtual

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:

- IdealGasConstPressureMoleReactor.h
- IdealGasConstPressureMoleReactor.cpp