fluxLimitedLangmuirHinshelwoodReactionRate.H
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23 
24 Class
25  Foam::fluxLimitedLangmuirHinshelwoodReactionRate
26 
27 Description
28  Langmuir-Hinshelwood reaction rate for gaseous reactions on surfaces
29  including the optional flux limiter of Waletzko and Schmidt.
30 
31  References:
32  \verbatim
33  Hinshelwood, C.N. (1940).
34  The Kinetics of Chemical Change.
35  Oxford Clarendon Press
36 
37  Waletzko, N., & Schmidt, L. D. (1988).
38  Modeling catalytic gauze reactors: HCN synthesis.
39  AIChE journal, 34(7), 1146-1156.
40  \endverbatim
41 
42 SourceFiles
43  fluxLimitedLangmuirHinshelwoodReactionRateI.H
44 
45 \*---------------------------------------------------------------------------*/
46 
47 #ifndef fluxLimitedLangmuirHinshelwoodReactionRate_H
48 #define fluxLimitedLangmuirHinshelwoodReactionRate_H
49 
50 #include "scalarField.H"
51 #include "typeInfo.H"
52 
53 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
54 
55 namespace Foam
56 {
57 
58 // Forward declaration of friend functions and operators
59 
60 class fluxLimitedLangmuirHinshelwoodReactionRate;
61 
62 Ostream& operator<<
63 (
64  Ostream&,
65  const fluxLimitedLangmuirHinshelwoodReactionRate&
66 );
67 
68 
69 /*---------------------------------------------------------------------------*\
70  Class fluxLimitedLangmuirHinshelwoodReactionRate Declaration
71 \*---------------------------------------------------------------------------*/
72 
74 {
75  // Private data
76 
77  //- Number reactants (1 or 2)
78  label nReactants_;
79 
80  //- Additional adsorbable specie names
81  wordList additionalAdsorbableSpecieNames_;
82 
83  //- Reactant and additional adsorbable specie indices
84  labelList ra_;
85 
86  scalar a_;
87  scalarList A_;
88  scalarList Ta_;
89  scalarList beta_;
90  scalarList m_;
91 
92  bool limited_;
93  bool AvUniform_;
94  scalar Av_;
95  const word AvName_;
96  const scalarField& AvField_;
97  scalarList nu_;
98  scalarList exp_;
99  scalarList s_;
100  scalarList W_;
101 
102 
103  // Private Member Functions
104 
105  //- Return either the uniform Av value or the field element
106  inline scalar Av(const label li) const;
107 
108 
109 public:
110 
111  // Constructors
112 
113  //- Construct from dictionary
115  (
116  const speciesTable& species,
117  const objectRegistry& ob,
118  const dictionary& dict
119  );
120 
121 
122  // Member Functions
123 
124  //- Return the type name
125  static word type()
126  {
127  return "fluxLimitedLangmuirHinshelwood";
128  }
129 
130  //- Pre-evaluation hook
131  inline void preEvaluate() const;
132 
133  //- Post-evaluation hook
134  inline void postEvaluate() const;
135 
136  inline scalar operator()
137  (
138  const scalar p,
139  const scalar T,
140  const scalarField& c,
141  const label li
142  ) const;
143 
144  inline scalar ddT
145  (
146  const scalar p,
147  const scalar T,
148  const scalarField& c,
149  const label li
150  ) const;
151 
152  //- Third-body efficiencies (beta = 1-alpha)
153  // non-empty only for third-body reactions
154  // with enhanced molecularity (alpha != 1)
155  inline const List<Tuple2<label, scalar>>& beta() const;
156 
157  //- Species concentration derivative of the pressure dependent term
158  inline void dcidc
159  (
160  const scalar p,
161  const scalar T,
162  const scalarField& c,
163  const label li,
165  ) const;
166 
167  //- Temperature derivative of the pressure dependent term
168  inline scalar dcidT
169  (
170  const scalar p,
171  const scalar T,
172  const scalarField& c,
173  const label li
174  ) const;
175 
176  //- Write to stream
177  inline void write(Ostream& os) const;
178 
179 
180  // Ostream Operator
181 
182  inline friend Ostream& operator<<
183  (
184  Ostream&,
186  );
187 };
188 
189 
190 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
191 
192 } // End namespace Foam
193 
194 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
195 
197 
198 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
199 
200 #endif
201 
202 // ************************************************************************* //
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
A list of keyword definitions, which are a keyword followed by any number of values (e...
Definition: dictionary.H:156
scalar ddT(const scalar p, const scalar T, const scalarField &c, const label li) const
const dimensionedScalar c
Speed of light in a vacuum.
fluxLimitedLangmuirHinshelwoodReactionRate(const speciesTable &species, const objectRegistry &ob, const dictionary &dict)
Construct from dictionary.
A class for handling words, derived from string.
Definition: word.H:59
const List< Tuple2< label, scalar > > & beta() const
Third-body efficiencies (beta = 1-alpha)
Langmuir-Hinshelwood reaction rate for gaseous reactions on surfaces including the optional flux limi...
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.
void T(FieldField< Field, Type > &f1, const FieldField< Field, Type > &f2)
A wordList with hashed indices for faster lookup by name.
volScalarField & p
Registry of regIOobjects.
Namespace for OpenFOAM.