IrreversibleReaction.H
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23 
24 Class
25  Foam::IrreversibleReaction
26 
27 Description
28  Simple extension of Reaction to handle irreversible reactions
29 
30 SourceFiles
31  IrreversibleReaction.C
32 
33 \*---------------------------------------------------------------------------*/
34 
35 #ifndef IrreversibleReaction_H
36 #define IrreversibleReaction_H
37 
38 #include "Reaction.H"
39 
40 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
41 
42 namespace Foam
43 {
44 
45 /*---------------------------------------------------------------------------*\
46  Class IrreversibleReaction Declaration
47 \*---------------------------------------------------------------------------*/
48 
49 template<class ReactionThermo, class ReactionRate>
51 :
52  public Reaction<ReactionThermo>
53 {
54  // Private Data
55 
56  ReactionRate k_;
57 
58 
59 public:
60 
61  //- Runtime type information
62  TypeName("irreversible");
63 
64 
65  // Constructors
66 
67  //- Construct from components
69  (
71  const ReactionRate& reactionRate
72  );
73 
74  //- Construct as copy given new speciesTable
76  (
78  const speciesTable& species
79  );
80 
81  //- Construct from dictionary
83  (
84  const speciesTable& species,
85  const HashPtrTable<ReactionThermo>& thermoDatabase,
86  const dictionary& dict
87  );
88 
89  //- Construct from objectRegistry and dictionary
91  (
92  const speciesTable& species,
93  const HashPtrTable<ReactionThermo>& thermoDatabase,
94  const objectRegistry& ob,
95  const dictionary& dict
96  );
97 
98  //- Construct and return a clone
100  {
102  (
104  );
105  }
106 
107  //- Construct and return a clone with new speciesTable
109  (
110  const speciesTable& species
111  ) const
112  {
114  (
116  (
117  *this,
118  species
119  )
120  );
121  }
122 
123 
124  //- Destructor
125  virtual ~IrreversibleReaction()
126  {}
127 
128 
129  // Member Functions
130 
131  // Hooks
132 
133  //- Pre-evaluation hook
134  virtual void preEvaluate() const;
135 
136  //- Post-evaluation hook
137  virtual void postEvaluate() const;
138 
139 
140  // IrreversibleReaction rate coefficients
141 
142  //- Forward rate constant
143  virtual scalar kf
144  (
145  const scalar p,
146  const scalar T,
147  const scalarField& c,
148  const label li
149  ) const;
150 
151  //- Reverse rate constant from the given forward rate constant
152  // Returns 0
153  virtual scalar kr
154  (
155  const scalar kfwd,
156  const scalar p,
157  const scalar T,
158  const scalarField& c,
159  const label li
160  ) const;
161 
162  //- Reverse rate constant
163  // Returns 0
164  virtual scalar kr
165  (
166  const scalar p,
167  const scalar T,
168  const scalarField& c,
169  const label li
170  ) const;
171 
172 
173  // IrreversibleReaction Jacobian functions
174 
175  //- Temperature derivative of forward rate
176  virtual scalar dkfdT
177  (
178  const scalar p,
179  const scalar T,
180  const scalarField& c,
181  const label li
182  ) const;
183 
184  //- Temperature derivative of reverse rate
185  // Returns 0
186  virtual scalar dkrdT
187  (
188  const scalar p,
189  const scalar T,
190  const scalarField& c,
191  const label li,
192  const scalar dkfdT,
193  const scalar kr
194  ) const;
195 
196  //- Third-body efficiencies (beta = 1-alpha)
197  // non-empty only for third-body reactions
198  // with enhanced molecularity (alpha != 1)
199  virtual const List<Tuple2<label, scalar>>& beta() const;
200 
201  //- Species concentration derivative of the pressure dependent term
202  // By default this value is 1 as it multiplies the third-body term
203  virtual void dcidc
204  (
205  const scalar p,
206  const scalar T,
207  const scalarField& c,
208  const label li,
210  ) const;
211 
212  //- Temperature derivative of the pressure dependent term
213  // By default this value is 0 since ddT of molecularity is approx.0
214  virtual scalar dcidT
215  (
216  const scalar p,
217  const scalar T,
218  const scalarField& c,
219  const label li
220  ) const;
221 
222 
223  //- Write
224  virtual void write(Ostream&) const; // Private Member Functions
225 
226 
227  // Member Operators
228 
229  //- Disallow default bitwise assignment
230  void operator=
231  (
233  ) = delete;
234 };
235 
236 
237 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
238 
239 } // End namespace Foam
240 
241 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
242 
243 #ifdef NoRepository
244  #include "IrreversibleReaction.C"
245 #endif
246 
247 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
248 
249 #endif
250 
251 // ************************************************************************* //
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
virtual void write(Ostream &) const
Write.
A list of keyword definitions, which are a keyword followed by any number of values (e...
Definition: dictionary.H:156
virtual void postEvaluate() const
Post-evaluation hook.
virtual ~IrreversibleReaction()
Destructor.
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
TypeName("irreversible")
Runtime type information.
virtual scalar dkfdT(const scalar p, const scalar T, const scalarField &c, const label li) const
Temperature derivative of forward rate.
virtual autoPtr< Reaction< ReactionThermo > > clone() const
Construct and return a clone.
A HashTable specialisation for hashing pointers.
Definition: HashPtrTable.H:50
const dimensionedScalar c
Speed of light in a vacuum.
Simple extension of ReactionThermo to handle reaction kinetics in addition to the equilibrium thermod...
Definition: Reaction.H:55
Reaction base-class holding the specie names and coefficients.
Definition: reaction.H:56
virtual const List< Tuple2< label, scalar > > & beta() const
Third-body efficiencies (beta = 1-alpha)
const speciesTable & species() const
Return the specie list.
Definition: reactionI.H:48
An Ostream is an abstract base class for all output systems (streams, files, token lists...
Definition: Ostream.H:54
virtual scalar dcidT(const scalar p, const scalar T, const scalarField &c, const label li) const
Temperature derivative of the pressure dependent term.
void T(FieldField< Field, Type > &f1, const FieldField< Field, Type > &f2)
virtual scalar kf(const scalar p, const scalar T, const scalarField &c, const label li) const
Forward rate constant.
virtual void preEvaluate() const
Pre-evaluation hook.
IrreversibleReaction(const Reaction< ReactionThermo > &reaction, const ReactionRate &reactionRate)
Construct from components.
A wordList with hashed indices for faster lookup by name.
virtual scalar dkrdT(const scalar p, const scalar T, const scalarField &c, const label li, const scalar dkfdT, const scalar kr) const
Temperature derivative of reverse rate.
virtual scalar kr(const scalar kfwd, const scalar p, const scalar T, const scalarField &c, const label li) const
Reverse rate constant from the given forward rate constant.
An auto-pointer similar to the STL auto_ptr but with automatic casting to a reference to the type and...
Definition: PtrList.H:52
volScalarField & p
Registry of regIOobjects.
virtual 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.
Simple extension of Reaction to handle irreversible reactions.
Namespace for OpenFOAM.