MoleReactor.cpp Source File#
MoleReactor.cpp
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Base class for kinetics managers and also contains the kineticsmgr module documentation (see Kinetics...
Header file for class ReactorSurface.
Header for a simple thermodynamics model of a surface phase derived from ThermoPhase,...
Base class for exceptions thrown by Cantera classes.
Definition ctexceptions.h:66
double outletSpeciesMassFlowRate(size_t k)
Mass flow rate (kg/s) of outlet species k.
Definition FlowDevice.cpp:72
size_t kineticsSpeciesIndex(size_t k, size_t n) const
The location of species k of phase n in species arrays.
Definition Kinetics.h:276
virtual void getNetProductionRates(double *wdot)
Species net production rates [kmol/m^3/s or kmol/m^2/s].
Definition Kinetics.cpp:363
void evalSurfaces(double *LHS, double *RHS, double *sdot) override
Evaluate terms related to surface reactions.
Definition MoleReactor.cpp:61
void getSurfaceInitialConditions(double *y) override
Get initial conditions for SurfPhase objects attached to this reactor.
Definition MoleReactor.cpp:21
void getMoles(double *y)
Get moles of the system from mass fractions stored by thermo object.
Definition MoleReactor.cpp:141
void eval(double t, double *LHS, double *RHS) override
Evaluate the reactor governing equations.
Definition MoleReactor.cpp:225
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:284
void setMassFromMoles(double *y)
Set internal mass variable based on moles given.
Definition MoleReactor.cpp:151
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:85
void getState(double *y) override
Get the the current state of the reactor.
Definition MoleReactor.cpp:161
string componentName(size_t k) override
Return the name of the solution component with index i.
Definition MoleReactor.cpp:298
void updateState(double *y) override
Set the state of the reactor to correspond to the state vector y.
Definition MoleReactor.cpp:180
void updateSurfaceState(double *y) override
Update the state of SurfPhase objects attached to this reactor.
Definition MoleReactor.cpp:44
void restoreState(const vector< double > &state)
Restore a state saved on a previous call to saveState.
Definition Phase.cpp:260
void setState_TD(double t, double rho)
Set the internally stored temperature (K) and density (kg/m^3)
Definition Phase.cpp:377
virtual void setDensity(const double density_)
Set the internally stored density (kg/m^3) of the phase.
Definition Phase.cpp:586
const vector< double > & inverseMolecularWeights() const
Return a const reference to the internal vector of molecular weights.
Definition Phase.cpp:400
const double * massFractions() const
Return a const pointer to the mass fraction array.
Definition Phase.h:442
const vector< double > & molecularWeights() const
Return a const reference to the internal vector of molecular weights.
Definition Phase.cpp:395
virtual void setMolesNoTruncate(const double *const N)
Set the state of the object with moles in [kmol].
Definition Phase.cpp:528
FlowDevice & outlet(size_t n=0)
Return a reference to the n-th outlet FlowDevice connected to this reactor.
Definition ReactorBase.cpp:114
FlowDevice & inlet(size_t n=0)
Return a reference to the n-th inlet FlowDevice connected to this reactor.
Definition ReactorBase.cpp:110
Kinetics * m_kin
Pointer to the homogeneous Kinetics object that handles the reactions.
Definition Reactor.h:277
vector< double > m_sdot
Production rates of gas phase species on surfaces [kmol/s].
Definition Reactor.h:287
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 homog...
Definition Reactor.cpp:426
virtual void updateConnected(bool updatePressure)
Update the state information needed by connected reactors, flow devices, and reactor walls.
Definition Reactor.cpp:184
A simple thermodynamic model for a surface phase, assuming an ideal solution model.
Definition SurfPhase.h:98
double size(size_t k) const
Returns the number of sites occupied by one molecule of species k.
Definition SurfPhase.h:221
Base class for a phase with thermodynamic properties.
Definition ThermoPhase.h:390
virtual double minTemp(size_t k=npos) const
Minimum temperature for which the thermodynamic data for the species or phase are valid.
Definition ThermoPhase.h:451
virtual double maxTemp(size_t k=npos) const
Maximum temperature for which the thermodynamic data for the species are valid.
Definition ThermoPhase.h:504
Various templated functions that carry out common vector and polynomial operations (see Templated Arr...
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