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Cantera
2.2.1
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Cantera
2.2.1
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Class describing an extra global reaction, which is defined as a linear combination of actuals reactions, global or mass-action, creating a global stoichiometric result. More...
#include <ExtraGlobalRxn.h>
Public Member Functions | |
| ExtraGlobalRxn (Kinetics *k_ptr) | |
| Constructor takes a default kinetics pointer. More... | |
| virtual | ~ExtraGlobalRxn () |
| Destructor. More... | |
| void | setupElemRxnVector (double *RxnVector, int specialSpecies=-1) |
| std::string | reactionString () |
| double | deltaSpecValue (double *speciesVectorProperty) |
| std::vector< int > & | reactants () |
| std::vector< int > & | products () |
| bool | isReversible () |
| double | ROPValue (double *ROPKinVector) |
| double | FwdROPValue (double *FwdROPElemKinVector, double *RevROPElemKinVector) |
| double | RevROPValue (double *FwdROPElemKinVector, double *RevROPElemKinVector) |
| double | reactantStoichCoeff (int kKin) |
| double | productStoichCoeff (int kKin) |
| double | deltaRxnVecValue (double *rxnVectorProperty) |
Public Attributes | |
| bool | m_ThisIsASurfaceRxn |
| Cantera::Kinetics * | m_kinetics |
| This kinetics operator is associated with just one homogeneous phase, associated with tpList[0] phase. More... | |
| Cantera::InterfaceKinetics * | m_InterfaceKinetics |
| This kinetics operator is associated with multiple homogeneous and surface phases. More... | |
| int | m_nKinSpecies |
| int | m_nReactants |
| Number of reactants in the global reaction. More... | |
| std::vector< int > | m_Reactants |
| Vector of reactants that make up the global reaction. More... | |
| std::vector< doublereal > | m_ReactantStoich |
| Vector of reactant stoichiometries that make up the global reaction. More... | |
| int | m_nProducts |
| std::vector< int > | m_Products |
| std::vector< doublereal > | m_ProductStoich |
| int | m_nNetSpecies |
| std::vector< int > | m_NetSpecies |
| std::vector< doublereal > | m_netStoich |
| int | m_nRxns |
| std::vector< doublereal > | m_ElemRxnVector |
| int | m_SpecialSpecies |
| bool | m_SpecialSpeciesProduct |
| int | m_SS_index |
| int | iphaseKin |
| bool | m_ok |
| bool | m_reversible |
Class describing an extra global reaction, which is defined as a linear combination of actuals reactions, global or mass-action, creating a global stoichiometric result.
This is useful for defining thermodynamics of global processes that occur on a surface or in a homogeneous phase.
The class is set up via the function setupElemRxnVector(RxnVector, specialSpecies) which defines the vector of stoichiometric coefficients representing the base reaction to combine in order to achieve the global result that's to be calculated. specialSpecies is the index of the species within the kinetics object that is used to identify the global reaction. Rates of progress are defined in terms of the production rate of the special species.
Definition at line 35 of file ExtraGlobalRxn.h.
| ExtraGlobalRxn | ( | Kinetics * | k_ptr | ) |
Constructor takes a default kinetics pointer.
| [in] | k_ptr | Pointer to a Kinetics class that will be used as the basis for constructing this class. |
Definition at line 86 of file ExtraGlobalRxn.cpp.
References ExtraGlobalRxn::m_InterfaceKinetics, ExtraGlobalRxn::m_kinetics, Kinetics::nReactions(), Kinetics::nTotalSpecies(), and Cantera::warn_deprecated().
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inlinevirtual |
Destructor.
Definition at line 47 of file ExtraGlobalRxn.h.
| Cantera::Kinetics* m_kinetics |
This kinetics operator is associated with just one homogeneous phase, associated with tpList[0] phase.
Kinetics object pointer
Definition at line 72 of file ExtraGlobalRxn.h.
Referenced by ExtraGlobalRxn::ExtraGlobalRxn().
| Cantera::InterfaceKinetics* m_InterfaceKinetics |
This kinetics operator is associated with multiple homogeneous and surface phases.
This object owns the Kinetics object
Definition at line 79 of file ExtraGlobalRxn.h.
Referenced by ExtraGlobalRxn::ExtraGlobalRxn().
| int m_nReactants |
Number of reactants in the global reaction.
Definition at line 84 of file ExtraGlobalRxn.h.
| std::vector<int> m_Reactants |
Vector of reactants that make up the global reaction.
This is a list of reactants using the kinetic species index
Definition at line 90 of file ExtraGlobalRxn.h.
| std::vector<doublereal> m_ReactantStoich |
Vector of reactant stoichiometries that make up the global reaction.
This is a list of reactant stoichiometries. The species index is given in the member m_Reactants using the kinetic species index.
Definition at line 97 of file ExtraGlobalRxn.h.
1.8.6