| Cantera 3.0.0

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MoleReactor.h
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1//! @file MoleReactor.h
2
3// This file is part of Cantera. See License.txt in the top-level directory or
4// at https://cantera.org/license.txt for license and copyright information.
5
6#ifndef CT_MOLEREACTOR_H
7#define CT_MOLEREACTOR_H
8
9#include "Reactor.h"
10
11 namespace Cantera
12{
13
14/**
15 * MoleReactor is meant to serve the same purpose as the reactor class but with a state
16 * vector composed of moles. It also serves as the base class for other mole reactors.
17 * @since New in %Cantera 3.0
18 * @ingroup reactorGroup
19 */
20 class MoleReactor : public Reactor
21{
22 public:
23 MoleReactor() {}
24
25 string type() const override {
26 return "MoleReactor";
27 }
28
29 void initialize(double t0=0.0) override;
30
31 void getState(double* y) override;
32
33 void updateState(double* y) override;
34
35 void eval(double t, double* LHS, double* RHS) override;
36
37 size_t componentIndex(const string& nm) const override;
38
39 string componentName(size_t k) override;
40
41 protected:
42 //! For each surface in the reactor, update vector of triplets with all relevant
43 //! surface jacobian derivatives of species with respect to species
44 //! which are appropriately offset to align with the reactor's state vector.
45 virtual void addSurfaceJacobian(vector<Eigen::Triplet<double>> &triplets);
46
47 //! Get moles of the system from mass fractions stored by thermo object
48 //! @param y vector for moles to be put into
49 void getMoles(double* y);
50
51 //! Set internal mass variable based on moles given
52 //! @param y vector of moles of the system
53 void setMassFromMoles(double* y);
54
55 void evalSurfaces(double* LHS, double* RHS, double* sdot) override;
56
57 void updateSurfaceState(double* y) override;
58
59 void getSurfaceInitialConditions(double* y) override;
60
61 //! const value for the species start index
62 const size_t m_sidx = 2;
63};
64
65}
66
67#endif
Reactor.h
Cantera::MoleReactor
MoleReactor is meant to serve the same purpose as the reactor class but with a state vector composed ...
Definition MoleReactor.h:21
Cantera::MoleReactor::evalSurfaces
void evalSurfaces(double *LHS, double *RHS, double *sdot) override
Evaluate terms related to surface reactions.
Definition MoleReactor.cpp:61
Cantera::MoleReactor::getSurfaceInitialConditions
void getSurfaceInitialConditions(double *y) override
Get initial conditions for SurfPhase objects attached to this reactor.
Definition MoleReactor.cpp:21
Cantera::MoleReactor::getMoles
void getMoles(double *y)
Get moles of the system from mass fractions stored by thermo object.
Definition MoleReactor.cpp:143
Cantera::MoleReactor::eval
void eval(double t, double *LHS, double *RHS) override
Evaluate the reactor governing equations.
Definition MoleReactor.cpp:227
Cantera::MoleReactor::type
string type() const override
String indicating the reactor model implemented.
Definition MoleReactor.h:25
Cantera::MoleReactor::componentIndex
size_t componentIndex(const string &nm) const override
Return the index in the solution vector for this reactor of the component named nm.
Definition MoleReactor.cpp:286
Cantera::MoleReactor::m_sidx
const size_t m_sidx
const value for the species start index
Definition MoleReactor.h:62
Cantera::MoleReactor::setMassFromMoles
void setMassFromMoles(double *y)
Set internal mass variable based on moles given.
Definition MoleReactor.cpp:153
Cantera::MoleReactor::addSurfaceJacobian
virtual void addSurfaceJacobian(vector< Eigen::Triplet< double > > &triplets)
For each surface in the reactor, update vector of triplets with all relevant surface jacobian derivat...
Definition MoleReactor.cpp:87
Cantera::MoleReactor::getState
void getState(double *y) override
Get the the current state of the reactor.
Definition MoleReactor.cpp:163
Cantera::MoleReactor::componentName
string componentName(size_t k) override
Return the name of the solution component with index i.
Definition MoleReactor.cpp:300
Cantera::MoleReactor::updateState
void updateState(double *y) override
Set the state of the reactor to correspond to the state vector y.
Definition MoleReactor.cpp:182
Cantera::MoleReactor::initialize
void initialize(double t0=0.0) override
Initialize the reactor.
Definition MoleReactor.cpp:38
Cantera::MoleReactor::updateSurfaceState
void updateSurfaceState(double *y) override
Update the state of SurfPhase objects attached to this reactor.
Definition MoleReactor.cpp:44
Cantera::Reactor
Class Reactor is a general-purpose class for stirred reactors.
Definition Reactor.h:44
Cantera
Namespace for the Cantera kernel.
Definition AnyMap.cpp:564