Formatting cleanup of InterfaceKinetics
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2 changed files with 295 additions and 396 deletions
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@ -19,12 +19,12 @@
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namespace Cantera
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{
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// forward references
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// forward declarations
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class SurfPhase;
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class ImplicitSurfChem;
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class RxnMolChange;
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//! forward orders
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//! forward orders
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class RxnOrders {
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public:
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@ -36,18 +36,18 @@ class RxnOrders {
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~RxnOrders();
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RxnOrders& operator=(const RxnOrders &right);
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//! Fill in the structure with the array.
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/*!
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* @param[in] Size of length kinetic species. The entries the values of the orders
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*/
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int fill(const std::vector<doublereal>& fullForwardOrders);
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int fill(const vector_fp& fullForwardOrders);
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//! ID's of the kinetic species
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std::vector<size_t> kinSpeciesIDs_;
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//! Orders of the kinetic species
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std::vector<doublereal> kinSpeciesOrders_;
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vector_fp kinSpeciesOrders_;
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};
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//! A kinetics manager for heterogeneous reaction mechanisms. The
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@ -187,9 +187,9 @@ public:
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/*!
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* @param[in] Reaction index
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*
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* @return Returns the reaction type of the reaction.
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* @return Returns the reaction type of the reaction.
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*/
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virtual int reactionType(size_t irxn) const;
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virtual int reactionType(size_t irxn) const;
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virtual void getActivityConcentrations(doublereal* const conc);
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@ -336,16 +336,14 @@ public:
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//! Add a single elementary reaction to the list of reactions for the object
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/*!
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* @param rdata
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* @param rdata
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*/
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void addElementaryReaction(ReactionData& rdata);
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void addGlobalReaction(ReactionData& r);
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void installReagents(const ReactionData& r);
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//! Update the equilibrium constants and stored electrochemical potentials
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//! in molar units for all reversible reactions and for all species.
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/*!
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@ -390,7 +388,7 @@ public:
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* reaction type is a butler-volmer form, convert it to exchange current density
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* form (amps/m2).
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*
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* @param kfwd Vector of forward reaction rate constants, given in either
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* @param kfwd Vector of forward reaction rate constants, given in either
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* normal form or in exchange current density form.
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*/
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void convertExchangeCurrentDensityFormulation(doublereal* const kfwd);
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@ -447,15 +445,12 @@ public:
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*/
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int phaseStability(const size_t iphase) const;
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virtual void determineFwdOrdersBV(ReactionData& rdata, std::vector<doublereal>& fwdFullorders);
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virtual void determineFwdOrdersBV(ReactionData& rdata, vector_fp& fwdFullorders);
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protected:
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//! Temporary work vector of length m_kk
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vector_fp m_grt;
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//! List of reactions numbers which are reversible reactions
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/*!
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* This is a vector of reaction numbers. Each reaction in the list is
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@ -523,7 +518,7 @@ protected:
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//! Vector of reactionType for the reactions defined within this object
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/*!
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* Length = number of reactions, m_ii
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* contains the type of reaction.
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* contains the type of reaction.
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*/
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vector_int reactionType_;
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@ -595,7 +590,7 @@ protected:
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* potentials + RTln(Cs) for all of the species in the kinetics object
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*
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* In order to get the units correct for the concentration equilibrium
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* constant, each species needs to have an
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* constant, each species needs to have an
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* RT ln(Cs) added to its contribution to the equilibrium constant
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* Cs is the standard concentration for the species. Frequently, for
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* solid species, Cs is equal to 1. However, for gases Cs is P/RT.
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@ -670,12 +665,12 @@ protected:
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*/
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std::vector<size_t> m_ctrxn;
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//! Vector of Reactions which follow the butler volmer methodology for specifying the
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//! Vector of Reactions which follow the butler volmer methodology for specifying the
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//! exchange current density first. Then, the other forms are specified based on this form.
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/*!
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* Length is equal to the number of reactions with charge transfer coefficients, m_ctrxn[]
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*
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* m_ctrxn_BVform[i] = 0; This means that the irxn reaction is calculated via the standard forward
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*
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* m_ctrxn_BVform[i] = 0; This means that the irxn reaction is calculated via the standard forward
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* and reverse reaction rates
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* m_ctrxn_BVform[i] = 1; This means that the irxn reaction is calculated via the BV format
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* directly.
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@ -684,7 +679,7 @@ protected:
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*/
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std::vector<size_t> m_ctrxn_BVform;
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//! Vector of booleans indicating whether the charge transfer reaction rate constant
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//! Vector of booleans indicating whether the charge transfer reaction rate constant
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//! is described by an exchange current density rate constant expression
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/*!
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* Length is equal to the number of reactions with charge transfer coefficients, m_ctrxn[]
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@ -696,7 +691,7 @@ protected:
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*/
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vector_int m_ctrxn_ecdf;
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//! Vector of booleans indicating whether the charge transfer reaction rate constant
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//! Vector of booleans indicating whether the charge transfer reaction rate constant
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//! is described by an exchange current density rate constant expression
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/*!
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* Length is equal to the number of reactions with charge transfer coefficients, m_ctrxn[]
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@ -713,7 +708,7 @@ protected:
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*/
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std::vector<RxnOrders*> m_ctrxn_FwdOrdersList_;
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std::vector<doublereal> m_ctrxn_resistivity_;
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vector_fp m_ctrxn_resistivity_;
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//! Vector of standard concentrations
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/*!
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@ -811,7 +806,7 @@ protected:
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/*!
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* Vector of booleans indicating whether a phase exists or not. We use
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* this to set the ROP's so that unphysical things don't happen.
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* For example, a reaction can't go in the forwards direction if a
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* For example, a reaction can't go in the forwards direction if a
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* phase in which a reactant is present doesn't exist. Because InterfaceKinetics
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* deals with intrinsic quantities only normally, nowhere else is this extrinsic
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* concept introduced except here.
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