FallOffReactionRate.H
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23 
24 Class
25  Foam::FallOffReactionRate
26 
27 Description
28  General class for handling unimolecular/recombination fall-off reactions.
29 
30 SourceFiles
31  FallOffReactionRateI.H
32 
33 \*---------------------------------------------------------------------------*/
34 
35 #ifndef FallOffReactionRate_H
36 #define FallOffReactionRate_H
37 
38 #include "thirdBodyEfficiencies.H"
39 
40 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
41 
42 namespace Foam
43 {
44 
45 // Forward declaration of friend functions and operators
46 
47 template<class ReactionRate, class FallOffFunction>
49 
50 template<class ReactionRate, class FallOffFunction>
51 inline Ostream& operator<<
52 (
53  Ostream&,
55 );
56 
57 
58 /*---------------------------------------------------------------------------*\
59  Class FallOffReactionRate Declaration
60 \*---------------------------------------------------------------------------*/
61 
62 template<class ReactionRate, class FallOffFunction>
64 {
65  // Private Data
66 
67  ReactionRate k0_;
68  ReactionRate kInf_;
69  FallOffFunction F_;
70  thirdBodyEfficiencies thirdBodyEfficiencies_;
72 
73 
74 public:
75 
76  // Constructors
77 
78  //- Construct from components
79  inline FallOffReactionRate
80  (
81  const ReactionRate& k0,
82  const ReactionRate& kInf,
83  const FallOffFunction& F,
84  const thirdBodyEfficiencies& tbes
85  );
86 
87  //- Construct from dictionary
88  inline FallOffReactionRate
89  (
90  const speciesTable& species,
91  const dictionary& dict
92  );
93 
94 
95  // Member Functions
96 
97  //- Return the type name
98  static word type()
99  {
100  return ReactionRate::type() + FallOffFunction::type() + "FallOff";
101  }
102 
103  //- Pre-evaluation hook
104  inline void preEvaluate() const;
105 
106  //- Post-evaluation hook
107  inline void postEvaluate() const;
108 
109  inline scalar operator()
110  (
111  const scalar p,
112  const scalar T,
113  const scalarField& c,
114  const label li
115  ) const;
116 
117  inline scalar ddT
118  (
119  const scalar p,
120  const scalar T,
121  const scalarField& c,
122  const label li
123  ) const;
124 
125  //- Third-body efficiencies (beta = 1-alpha)
126  // non-empty only for third-body reactions
127  // with enhanced molecularity (alpha != 1)
128  inline const List<Tuple2<label, scalar>>& beta() const
129  {
130  return beta_;
131  }
132 
133  //- Species concentration derivative of the pressure dependent term
134  inline void dcidc
135  (
136  const scalar p,
137  const scalar T,
138  const scalarField& c,
139  const label li,
141  ) const;
142 
143  //- Temperature derivative of the pressure dependent term
144  inline scalar dcidT
145  (
146  const scalar p,
147  const scalar T,
148  const scalarField& c,
149  const label li
150  ) const;
151 
152  //- Write to stream
153  inline void write(Ostream& os) const;
154 
155 
156  // Ostream Operator
157 
158  friend Ostream& operator<< <ReactionRate, FallOffFunction>
159  (
160  Ostream&,
162  );
163 };
164 
165 
166 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
167 
168 } // End namespace Foam
169 
170 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
171 
172 #include "FallOffReactionRateI.H"
173 
174 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
175 
176 #endif
177 
178 // ************************************************************************* //
dictionary dict
intWM_LABEL_SIZE_t label
A label is an int32_t or int64_t as specified by the pre-processor macro WM_LABEL_SIZE.
Definition: label.H:59
const dimensionedScalar F
Faraday constant: default SI units: [C/mol].
void postEvaluate() const
Post-evaluation hook.
A list of keyword definitions, which are a keyword followed by any number of values (e...
Definition: dictionary.H:156
A 1D array of objects of type <T>, where the size of the vector is known and used for subscript bound...
Definition: HashTable.H:59
General class for handling unimolecular/recombination fall-off reactions.
const dimensionedScalar c
Speed of light in a vacuum.
void dcidc(const scalar p, const scalar T, const scalarField &c, const label li, scalarField &dcidc) const
Species concentration derivative of the pressure dependent term.
scalar dcidT(const scalar p, const scalar T, const scalarField &c, const label li) const
Temperature derivative of the pressure dependent term.
scalar ddT(const scalar p, const scalar T, const scalarField &c, const label li) const
const List< Tuple2< label, scalar > > & beta() const
Third-body efficiencies (beta = 1-alpha)
A class for handling words, derived from string.
Definition: word.H:59
void write(Ostream &os) const
Write to stream.
An Ostream is an abstract base class for all output systems (streams, files, token lists...
Definition: Ostream.H:54
void T(FieldField< Field, Type > &f1, const FieldField< Field, Type > &f2)
FallOffReactionRate(const ReactionRate &k0, const ReactionRate &kInf, const FallOffFunction &F, const thirdBodyEfficiencies &tbes)
Construct from components.
friend Ostream & operator(Ostream &, const FallOffReactionRate< ReactionRate, FallOffFunction > &)
void preEvaluate() const
Pre-evaluation hook.
A wordList with hashed indices for faster lookup by name.
fileType type(const fileName &, const bool checkVariants=true, const bool followLink=true)
Return the file type: directory or file.
Definition: POSIX.C:488
volScalarField & p
Third body efficiencies.
Namespace for OpenFOAM.
static word type()
Return the type name.