Kihara potential: Difference between revisions
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where <math>\Phi_{12}</math> is the [[intermolecular pair potential]], and <math>\rho</math> is the [[Source code for the minimum distance between two rods | shortest distance between molecule cores]]. | where <math>\Phi_{12}</math> is the [[intermolecular pair potential]], and <math>\rho</math> is the [[Source code for the minimum distance between two rods | shortest distance between molecule cores]]. | ||
==Oblate core== | |||
<ref>[http://dx.doi.org/10.1080/00268970802129826 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)]</ref>. | |||
==References== | ==References== | ||
<references/> | <references/> | ||
Revision as of 15:00, 2 March 2011
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)
- A. Cuetos, B. Martínez-Haya, S. Lago and L. F. Rull "Liquid crystal behavior of the Kihara fluid", Physical Review E 68 011704 (2003)