67 lines
1.8 KiB
C++
67 lines
1.8 KiB
C++
/**
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* @file BulkKinetics.h
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* @ingroup chemkinetics
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*/
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// This file is part of Cantera. See License.txt in the top-level directory or
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// at https://cantera.org/license.txt for license and copyright information.
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#ifndef CT_BULKKINETICS_H
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#define CT_BULKKINETICS_H
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#include "Kinetics.h"
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#include "RateCoeffMgr.h"
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namespace Cantera
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{
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class ElementaryReaction;
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//! Partial specialization of Kinetics for chemistry in a single bulk phase
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class BulkKinetics : public Kinetics
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{
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public:
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BulkKinetics(thermo_t* thermo = 0);
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virtual bool isReversible(size_t i);
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virtual void getDeltaGibbs(doublereal* deltaG);
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virtual void getDeltaEnthalpy(doublereal* deltaH);
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virtual void getDeltaEntropy(doublereal* deltaS);
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virtual void getDeltaSSGibbs(doublereal* deltaG);
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virtual void getDeltaSSEnthalpy(doublereal* deltaH);
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virtual void getDeltaSSEntropy(doublereal* deltaS);
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virtual void getRevRateConstants(doublereal* krev,
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bool doIrreversible = false);
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virtual bool addReaction(shared_ptr<Reaction> r);
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virtual void resizeSpecies();
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virtual void setMultiplier(size_t i, double f);
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virtual void invalidateCache();
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protected:
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virtual void addElementaryReaction(ElementaryReaction& r);
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virtual void modifyElementaryReaction(size_t i, ElementaryReaction& rNew);
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Rate1<Arrhenius> m_rates;
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std::vector<size_t> m_revindex; //!< Indices of reversible reactions
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std::vector<size_t> m_irrev; //!< Indices of irreversible reactions
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//! Difference between the global reactants order and the global products
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//! order. Of type "double" to account for the fact that we can have real-
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//! valued stoichiometries.
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vector_fp m_dn;
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vector_fp m_conc;
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vector_fp m_grt;
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bool m_ROP_ok;
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doublereal m_temp;
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};
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}
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#endif
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