Cantera  2.3.0
ReactorNet Class Reference

A class representing a network of connected reactors. More...

#include <ReactorNet.h>

Inheritance diagram for ReactorNet:
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Collaboration diagram for ReactorNet:
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## Public Member Functions

ReactorNet (const ReactorNet &)=delete

Add the reactor r to this reactor network. More...

Reactorreactor (int n)
Return a reference to the n-th reactor in this network. More...

bool verbose () const
Returns true if verbose logging output is enabled. More...

void setVerbose (bool v=true)
Enable or disable verbose logging while setting up and integrating the reactor network. More...

Integratorintegrator ()
Return a reference to the integrator. More...

Update the state of all the reactors in the network to correspond to the values in the solution vector y. More...

double sensitivity (size_t k, size_t p)
Return the sensitivity of the k-th solution component with respect to the p-th sensitivity parameter. More...

double sensitivity (const std::string &component, size_t p, int reactor=0)
Return the sensitivity of the component named component with respect to the p-th sensitivity parameter. More...

void evalJacobian (doublereal t, doublereal *y, doublereal *ydot, doublereal *p, Array2D *j)
Evaluate the Jacobian matrix for the reactor network. More...

virtual size_t neq ()
Number of equations. More...

virtual void eval (doublereal t, doublereal *y, doublereal *ydot, doublereal *p)
Evaluate the right-hand-side function. More...

virtual void getInitialConditions (doublereal t0, size_t leny, doublereal *y)

virtual void getState (doublereal *y)
Fill in the vector y with the current state of the system. More...

virtual size_t nparams ()
Number of sensitivity parameters. More...

size_t globalComponentIndex (const std::string &component, size_t reactor=0)
Return the index corresponding to the component named component in the reactor with index reactor in the global state vector for the reactor network. More...

std::string componentName (size_t i) const
Return the name of the i-th component of the global state vector. More...

size_t registerSensitivityParameter (const std::string &name, double value, double scale)
Used by Reactor and Wall objects to register the addition of sensitivity parameters so that the ReactorNet can keep track of the order in which sensitivity parameters are added. More...

const std::string & sensitivityParameterName (size_t p)
The name of the p-th sensitivity parameter added to this ReactorNet. More...

void reinitialize ()
Reinitialize the integrator. More...

void setNeedsReinit ()
Called to trigger integrator reinitialization before further integration. More...

Methods to set up a simulation.
void setInitialTime (double time)
Set initial time. More...

void setMaxTimeStep (double maxstep)
Set the maximum time step. More...

void setMaxErrTestFails (int nmax)
Set the maximum number of error test failures permitted by the CVODES integrator in a single time step. More...

void setTolerances (double rtol, double atol)
Set the relative and absolute tolerances for the integrator. More...

void setSensitivityTolerances (double rtol, double atol)
Set the relative and absolute tolerances for integrating the sensitivity equations. More...

doublereal time ()
Current value of the simulation time. More...

doublereal rtol ()
Relative tolerance. More...

doublereal atol ()
Absolute integration tolerance. More...

doublereal rtolSensitivity () const
Relative sensitivity tolerance. More...

doublereal atolSensitivity () const
Absolute sensitivity tolerance. More...

Advance the state of all reactors in time. More...

double step (doublereal time=-999)
Advance the state of all reactors in time. More...

Public Member Functions inherited from FuncEval
int eval_nothrow (double t, double *y, double *ydot)
Evaluate the right-hand side using return code to indicate status. More...

void suppressErrors (bool suppress)
Enable or disable suppression of errors when calling eval() More...

bool suppressErrors () const
Get current state of error suppression. More...

std::string getErrors () const
Return a string containing the text of any suppressed errors. More...

void clearErrors ()
Clear any previously-stored suppressed errors. More...

## Protected Member Functions

void initialize ()
Initialize the reactor network. More...

## Protected Attributes

std::vector< Reactor * > m_reactors

std::unique_ptr< Integratorm_integ

doublereal m_time

bool m_init

bool m_integrator_init
True if integrator initialization is current. More...

size_t m_nv

std::vector< size_t > m_start
m_start[n] is the starting point in the state vector for reactor n More...

vector_fp m_atol

doublereal m_rtol

doublereal m_rtolsens

doublereal m_atols

doublereal m_atolsens

doublereal m_maxstep
Maximum integrator internal timestep. Default of 0.0 means infinity. More...

int m_maxErrTestFails

bool m_verbose

std::vector< std::string > m_paramNames
Names corresponding to each sensitivity parameter. More...

vector_fp m_ydot

Protected Attributes inherited from FuncEval
bool m_suppress_errors

std::vector< std::string > m_errors
Errors occuring during function evaluations. More...

Public Attributes inherited from FuncEval
vector_fp m_sens_params
Values for the problem parameters for which sensitivities are computed This is the array which is perturbed and passed back as the fourth argument to eval(). More...

vector_fp m_paramScales
Scaling factors for each sensitivity parameter. More...

## Detailed Description

A class representing a network of connected reactors.

This class is used to integrate the time-dependent governing equations for a network of reactors (Reactor, ConstPressureReactor) connected by various means, e.g. Wall, MassFlowController, Valve, PressureController.

Definition at line 23 of file ReactorNet.h.

## ◆ setInitialTime()

 void setInitialTime ( double time )

Set initial time.

Default = 0.0 s. Restarts integration from this time using the current mixture state as the initial condition.

Definition at line 34 of file ReactorNet.cpp.

## ◆ setMaxTimeStep()

 void setMaxTimeStep ( double maxstep )

Set the maximum time step.

Definition at line 40 of file ReactorNet.cpp.

## ◆ setMaxErrTestFails()

 void setMaxErrTestFails ( int nmax )

Set the maximum number of error test failures permitted by the CVODES integrator in a single time step.

Definition at line 46 of file ReactorNet.cpp.

## ◆ setTolerances()

 void setTolerances ( double rtol, double atol )

Set the relative and absolute tolerances for the integrator.

Definition at line 52 of file ReactorNet.cpp.

## ◆ setSensitivityTolerances()

 void setSensitivityTolerances ( double rtol, double atol )

Set the relative and absolute tolerances for integrating the sensitivity equations.

Definition at line 63 of file ReactorNet.cpp.

## ◆ time()

 doublereal time ( )
inline

Current value of the simulation time.

Definition at line 52 of file ReactorNet.h.

## ◆ rtol()

 doublereal rtol ( )
inline

Relative tolerance.

Definition at line 57 of file ReactorNet.h.

## ◆ atol()

 doublereal atol ( )
inline

Absolute integration tolerance.

Definition at line 62 of file ReactorNet.h.

## ◆ rtolSensitivity()

 doublereal rtolSensitivity ( ) const
inline

Relative sensitivity tolerance.

Definition at line 67 of file ReactorNet.h.

## ◆ atolSensitivity()

 doublereal atolSensitivity ( ) const
inline

Absolute sensitivity tolerance.

Definition at line 72 of file ReactorNet.h.

 void advance ( doublereal time )

Advance the state of all reactors in time.

Take as many internal timesteps as necessary to reach time.

Parameters
 time Time to advance to (s).

Definition at line 127 of file ReactorNet.cpp.

## ◆ step()

 double step ( doublereal time = -999 )

Advance the state of all reactors in time.

Deprecated:
The time argument to this function is deprecated and will be removed after Cantera 2.3.

Definition at line 139 of file ReactorNet.cpp.

References Cantera::warn_deprecated().

 void addReactor ( Reactor & r )

Add the reactor r to this reactor network.

Definition at line 155 of file ReactorNet.cpp.

References ReactorBase::setNetwork().

## ◆ reactor()

 Reactor& reactor ( int n )
inline

Return a reference to the n-th reactor in this network.

The reactor indices are determined by the order in which the reactors were added to the reactor network.

Definition at line 96 of file ReactorNet.h.

Referenced by ReactorNet::sensitivity().

## ◆ verbose()

 bool verbose ( ) const
inline

Returns true if verbose logging output is enabled.

Definition at line 101 of file ReactorNet.h.

## ◆ setVerbose()

 void setVerbose ( bool v = true )
inline

Enable or disable verbose logging while setting up and integrating the reactor network.

Definition at line 107 of file ReactorNet.h.

References FuncEval::suppressErrors().

## ◆ integrator()

 Integrator& integrator ( )
inline

Return a reference to the integrator.

Definition at line 113 of file ReactorNet.h.

 void updateState ( doublereal * y )

Update the state of all the reactors in the network to correspond to the values in the solution vector y.

Definition at line 210 of file ReactorNet.cpp.

References Cantera::checkFinite().

## ◆ sensitivity() [1/2]

 double sensitivity ( size_t k, size_t p )

Return the sensitivity of the k-th solution component with respect to the p-th sensitivity parameter.

The sensitivity coefficient $$S_{ki}$$ of solution variable $$y_k$$ with respect to sensitivity parameter $$p_i$$ is defined as:

$S_{ki} = \frac{1}{y_k} \frac{\partial y_k}{\partial p_i}$

For reaction sensitivities, the parameter is a multiplier on the forward rate constant (and implicitly on the reverse rate constant for reversible reactions) which has a nominal value of 1.0, and the sensitivity is nondimensional.

For species enthalpy sensitivities, the parameter is a perturbation to the molar enthalpy of formation, such that the dimensions of the sensitivity are kmol/J.

Definition at line 171 of file ReactorNet.cpp.

References Cantera::SmallNumber.

Referenced by ReactorNet::sensitivity().

## ◆ sensitivity() [2/2]

 double sensitivity ( const std::string & component, size_t p, int reactor = 0 )
inline

Return the sensitivity of the component named component with respect to the p-th sensitivity parameter.

The sensitivity coefficient $$S_{ki}$$ of solution variable $$y_k$$ with respect to sensitivity parameter $$p_i$$ is defined as:

$S_{ki} = \frac{1}{y_k} \frac{\partial y_k}{\partial p_i}$

For reaction sensitivities, the parameter is a multiplier on the forward rate constant (and implicitly on the reverse rate constant for reversible reactions) which has a nominal value of 1.0, and the sensitivity is nondimensional.

For species enthalpy sensitivities, the parameter is a perturbation to the molar enthalpy of formation, such that the dimensions of the sensitivity are kmol/J.

Definition at line 143 of file ReactorNet.h.

## ◆ evalJacobian()

 void evalJacobian ( doublereal t, doublereal * y, doublereal * ydot, doublereal * p, Array2D * j )

Evaluate the Jacobian matrix for the reactor network.

Parameters
 [in] t Time at which to evaluate the Jacobian [in] y Global state vector at time t [out] ydot Time derivative of the state vector evaluated at t. [in] p sensitivity parameter vector (unused?) [out] j Jacobian matrix, size neq() by neq().

Definition at line 187 of file ReactorNet.cpp.

## ◆ neq()

 virtual size_t neq ( )
inlinevirtual

Number of equations.

Implements FuncEval.

Definition at line 160 of file ReactorNet.h.

## ◆ eval()

 void eval ( doublereal t, doublereal * y, doublereal * ydot, doublereal * p )
virtual

Evaluate the right-hand-side function.

Called by the integrator.

Parameters
 [in] t time. [in] y solution vector, length neq() [out] ydot rate of change of solution vector, length neq() [in] p sensitivity parameter vector, length nparams()

Implements FuncEval.

Definition at line 161 of file ReactorNet.cpp.

References Cantera::checkFinite().

## ◆ getInitialConditions()

 void getInitialConditions ( doublereal t0, size_t leny, doublereal * y )
virtual
Deprecated:
Use getState instead. To be removed after Cantera 2.3.

Reimplemented from FuncEval.

Definition at line 218 of file ReactorNet.cpp.

References Cantera::warn_deprecated().

## ◆ getState()

 void getState ( doublereal * y )
virtual

Fill in the vector y with the current state of the system.

Reimplemented from FuncEval.

Definition at line 225 of file ReactorNet.cpp.

## ◆ nparams()

 virtual size_t nparams ( )
inlinevirtual

Number of sensitivity parameters.

Reimplemented from FuncEval.

Definition at line 171 of file ReactorNet.h.

References FuncEval::m_sens_params.

## ◆ globalComponentIndex()

 size_t globalComponentIndex ( const std::string & component, size_t reactor = 0 )

Return the index corresponding to the component named component in the reactor with index reactor in the global state vector for the reactor network.

Definition at line 232 of file ReactorNet.cpp.

Referenced by ReactorNet::sensitivity().

## ◆ componentName()

 std::string componentName ( size_t i ) const

Return the name of the i-th component of the global state vector.

The name returned includes both the name of the reactor and the specific component, e.g. ‘'reactor1: CH4’`.

Definition at line 240 of file ReactorNet.cpp.

## ◆ registerSensitivityParameter()

 size_t registerSensitivityParameter ( const std::string & name, double value, double scale )

Used by Reactor and Wall objects to register the addition of sensitivity parameters so that the ReactorNet can keep track of the order in which sensitivity parameters are added.

Parameters
 name A name describing the parameter, e.g. the reaction string value The nominal value of the parameter scale A scaling factor to be applied to the sensitivity coefficient
Returns
the index of this parameter in the vector of sensitivity parameters (global across all reactors)

Definition at line 252 of file ReactorNet.cpp.

References Cantera::scale().

## ◆ sensitivityParameterName()

 const std::string& sensitivityParameterName ( size_t p )
inline

The name of the p-th sensitivity parameter added to this ReactorNet.

Definition at line 198 of file ReactorNet.h.

References ReactorNet::m_paramNames.

## ◆ reinitialize()

 void reinitialize ( )

Reinitialize the integrator.

Used to solve a new problem (different initial conditions) but with the same configuration of the reactor network. Can be called manually, or automatically after calling setInitialTime or modifying a reactor's contents.

Definition at line 116 of file ReactorNet.cpp.

References Cantera::debuglog().

## ◆ setNeedsReinit()

 void setNeedsReinit ( )
inline

Called to trigger integrator reinitialization before further integration.

Definition at line 210 of file ReactorNet.h.

References ReactorNet::m_integrator_init.

Referenced by ReactorBase::syncState().

## ◆ initialize()

 void initialize ( )
protected

Initialize the reactor network.

Called automatically the first time advance or step is called.

Definition at line 74 of file ReactorNet.cpp.

## ◆ m_integrator_init

 bool m_integrator_init
protected

True if integrator initialization is current.

Definition at line 223 of file ReactorNet.h.

Referenced by ReactorNet::setNeedsReinit().

## ◆ m_start

 std::vector m_start
protected

m_start[n] is the starting point in the state vector for reactor n

Definition at line 227 of file ReactorNet.h.

## ◆ m_maxstep

 doublereal m_maxstep
protected

Maximum integrator internal timestep. Default of 0.0 means infinity.

Definition at line 234 of file ReactorNet.h.

## ◆ m_paramNames

 std::vector m_paramNames
protected

Names corresponding to each sensitivity parameter.

Definition at line 240 of file ReactorNet.h.

Referenced by ReactorNet::sensitivityParameterName().

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