FreeFOAM The Cross-Platform CFD Toolkit
maitlandSmith.H
Go to the documentation of this file.
1 /*---------------------------------------------------------------------------*\
2  ========= |
3  \\ / F ield | OpenFOAM: The Open Source CFD Toolbox
4  \\ / O peration |
5  \\ / A nd | Copyright (C) 2008-2010 OpenCFD Ltd.
6  \\/ M anipulation |
7 -------------------------------------------------------------------------------
8 License
9  This file is part of OpenFOAM.
10 
11  OpenFOAM is free software: you can redistribute it and/or modify it
12  under the terms of the GNU General Public License as published by
13  the Free Software Foundation, either version 3 of the License, or
14  (at your option) any later version.
15 
16  OpenFOAM is distributed in the hope that it will be useful, but WITHOUT
17  ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
18  FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
19  for more details.
20 
21  You should have received a copy of the GNU General Public License
22  along with OpenFOAM. If not, see <http://www.gnu.org/licenses/>.
23 
24 Class
25  Foam::pairPotentials::maitlandSmith
26 
27 Description
28  Foam::pairPotentials::maitlandSmith
29 
30  From:
31  @verbatim
32  @ARTICLE{MA_Maitland_Smith,
33  author = {{Maitland}, G.~C. and {Smith}, E.~B.},
34  title = {A simplified representation of intermolecular potential energy},
35  journal = {Chemical Physics Letters},
36  year = 1973,
37  month = oct,
38  volume = 22,
39  pages = {443-446},
40  adsurl = {http://adsabs.harvard.edu/abs/1973CPL....22..443M},
41  adsnote = {Provided by the SAO/NASA Astrophysics Data System}
42  }
43  @endverbatim
44 
45  Parameters for other monoatomics from:
46  @verbatim
47  @BOOK{MD_Maitland_Rigby_Smith_Wakeham,
48  AUTHOR = {Geoffrey C. Maitland and Maurice Rigby and E. Brian Smith and William A. Wakeham},
49  TITLE = {Intermolecular Forces: Their Origin and Determination},
50  PUBLISHER = {Oxford University Press},
51  YEAR = {1981}
52  }
53  @endverbatim
54 
55 SourceFiles
56  maitlandSmith.C
57 
58 \*---------------------------------------------------------------------------*/
59 
60 #ifndef maitlandSmith_H
61 #define maitlandSmith_H
62 
64 
65 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
66 
67 namespace Foam
68 {
69 
70 namespace pairPotentials
71 {
72 
73 /*---------------------------------------------------------------------------*\
74  Class maitlandSmith Declaration
75 \*---------------------------------------------------------------------------*/
76 
78 :
79  public pairPotential
80 {
81  // Private data
82 
83  dictionary maitlandSmithCoeffs_;
84 
85  scalar m_;
86  scalar gamma_;
87  scalar rm_;
88  scalar epsilon_;
89 
90 
91 public:
92 
93  //- Runtime type information
94  TypeName("maitlandSmith");
95 
96 
97  // Constructors
98 
99  //- Construct from components
101  (
102  const word& name,
104  );
105 
106 
107  // Destructor
108 
110  {}
111 
112 
113  // Member Functions
114 
115  scalar unscaledEnergy(const scalar r) const;
116 
117  //- Read dictionary
118  bool read(const dictionary& pairPotentialProperties);
119 };
120 
121 
122 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
123 
124 } // End namespace pairPotentials
125 } // End namespace Foam
126 
127 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
128 
129 #endif
130 
131 // ************************ vim: set sw=4 sts=4 et: ************************ //