Kihara potential: Difference between revisions
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*[http://dx.doi.org/10.1021/j100197a055 Carlos Vega, Santiago Lago, Enrique De Miguel, and Luis F. Rull "Liquid-vapor equilibria of linear Kihara molecules", Journal of Physical Chemistry '''96''' pp. 7431-7437 (1992)] | *[http://dx.doi.org/10.1021/j100197a055 Carlos Vega, Santiago Lago, Enrique De Miguel, and Luis F. Rull "Liquid-vapor equilibria of linear Kihara molecules", Journal of Physical Chemistry '''96''' pp. 7431-7437 (1992)] | ||
*[http://dx.doi.org/10.1063/1.473473 L. G. MacDowell, B. Garzón, S. Calero, and S. Lago "Dynamical properties and transport coefficients of Kihara linear fluids", Journal of Chemical Physics '''106''' pp. 4753- (1997)] | *[http://dx.doi.org/10.1063/1.473473 L. G. MacDowell, B. Garzón, S. Calero, and S. Lago "Dynamical properties and transport coefficients of Kihara linear fluids", Journal of Chemical Physics '''106''' pp. 4753- (1997)] | ||
*[http://dx.doi.org/10.1103/PhysRevE.68.011704 | *[http://dx.doi.org/10.1103/PhysRevE.68.011704 Alejandro Cuetos, Bruno Martínez-Haya, Santiago Lago and Luis F. Rull "Liquid crystal behavior of the Kihara fluid", Physical Review E '''68''' 011704 (2003)] | ||
*[http://dx.doi.org/10.1080/00268976.2014.996191 Alejandro Cuetos and Bruno Martínez-Haya "Liquid crystal phase diagram of soft repulsive rods and its mapping on the hard repulsive reference fluid", Molecular Physics (''Latest articles'') (2015)] | |||
[[category: models]] | [[category: models]] | ||
Revision as of 14:14, 24 February 2015
The Kihara potential, developed by Taro Kihara [1] in 1951, is a non-spherical generalisation of the Lennard-Jones model. It is given by
![{\displaystyle \Phi _{12}(\rho )=\Phi _{0}\left[{\frac {m}{n-m}}\left({\frac {\rho _{0}}{\rho }}\right)^{n}-{\frac {n}{n-m}}\left({\frac {\rho _{0}}{\rho }}\right)^{m}\right],~~~n>m>3.}](https://wikimedia.org/api/rest_v1/media/math/render/svg/c8452700561f6424b163764fe7aa3f0056ae3c32)
where is the intermolecular pair potential, and is the shortest distance between molecule cores.
Oblate core
[2].
References
- ↑ Taro Kihara "The Second Virial Coefficient of Non-Spherical Molecules", Journal of the Physical Society of Japan 6 pp. 289-296 (1951)
- ↑ Francisco Gámez, Santiago Lago, Benito Garzón, Patrick J. Merkling and Carlos Vega "Vapour-liquid equilibrium of fluids composed by oblate molecules", Molecular Physics 106 pp. 1331-1339 (2008)
Related material
- Taro Kihara "Virial Coefficients and Models of Molecules in Gases", Reviews of Modern Physics 25 pp. 831-843 (1953)
- Taro Kihara "Convex molecules in gaseous and crystalline states", Advances in Chemical Physics 5 pp. 147-188 (1963)
- Carlos Vega and Daan Frenkel "Monte Carlo study of rod-like molecules: A test of perturbation theory for the Kihara model", Molecular Physics 67 pp. 633-650 (1989)
- Carlos Vega and Santigo Lago "Improved perturbation theory of Kihara fluids", Chemical Physics Letters 185 pp. 516-521 (1991)
- Carlos Vega, Santiago Lago, Enrique De Miguel, and Luis F. Rull "Liquid-vapor equilibria of linear Kihara molecules", Journal of Physical Chemistry 96 pp. 7431-7437 (1992)
- L. G. MacDowell, B. Garzón, S. Calero, and S. Lago "Dynamical properties and transport coefficients of Kihara linear fluids", Journal of Chemical Physics 106 pp. 4753- (1997)
- Alejandro Cuetos, Bruno Martínez-Haya, Santiago Lago and Luis F. Rull "Liquid crystal behavior of the Kihara fluid", Physical Review E 68 011704 (2003)
- Alejandro Cuetos and Bruno Martínez-Haya "Liquid crystal phase diagram of soft repulsive rods and its mapping on the hard repulsive reference fluid", Molecular Physics (Latest articles) (2015)