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

Class ConstPressureReactor is a class for constant-pressure reactors. More...

`#include <ConstPressureReactor.h>`

Inheritance diagram for ConstPressureReactor:
[legend]

## Detailed Description

Class ConstPressureReactor is a class for constant-pressure reactors.

The reactor may have an arbitrary number of inlets and outlets, each of which may be connected to a "flow device" such as a mass flow controller, a pressure regulator, etc. Additional reactors may be connected to the other end of the flow device, allowing construction of arbitrary reactor networks.

Definition at line 23 of file ConstPressureReactor.h.

## Public Member Functions
string | type () const override
| String indicating the reactor model implemented.
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.
virtual void | setThermoMgr (ThermoPhase &thermo)
| Specify the mixture contained in the reactor.
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.

## 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.
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.

## Constructor & Destructor Documentation

## ◆ ConstPressureReactor()

ConstPressureReactor | ( |  | ) |
| inline

Definition at line 26 of file ConstPressureReactor.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 ReactorBase.

Reimplemented in IdealGasConstPressureReactor.

Definition at line 28 of file ConstPressureReactor.h.

## ◆ 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 Reactor.

Reimplemented in IdealGasConstPressureReactor.

Definition at line 17 of file ConstPressureReactor.cpp.

## ◆ initialize()

void initialize | ( | double | t0 = `0.0` | ) |
| override virtual

Initialize the reactor.

Called automatically by ReactorNet::initialize.

Reimplemented from ReactorBase.

Reimplemented in IdealGasConstPressureReactor.

Definition at line 39 of file ConstPressureReactor.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 Reactor.

Reimplemented in IdealGasConstPressureReactor.

Definition at line 62 of file ConstPressureReactor.cpp.

## ◆ updateState()

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

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

Reimplemented from Reactor.

Reimplemented in IdealGasConstPressureReactor.

Definition at line 45 of file ConstPressureReactor.cpp.

## ◆ 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", "enthalpy", the name of a homogeneous phase species, or the name of a surface species.

Reimplemented from Reactor.

Reimplemented in IdealGasConstPressureReactor.

Definition at line 121 of file ConstPressureReactor.cpp.

## ◆ componentName()

string componentName | ( | size_t | k | ) |
| override virtual

Return the name of the solution component with index i.

See also
  componentIndex()

Reimplemented from Reactor.

Reimplemented in IdealGasConstPressureReactor.

Definition at line 135 of file ConstPressureReactor.cpp.

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

- ConstPressureReactor.h
- ConstPressureReactor.cpp