Kihara potential

The Kihara potential, developed by Taro Kihara in 1951, is a non-spherical generalisation of the Lennard-Jones model. It is given by

${\mathrm{\Phi }}_{12}(\rho )={\mathrm{\Phi }}_0[\frac{m}{n-m}{(\frac{{\rho }_0}{\rho })}^n-\frac{n}{n-m}{(\frac{{\rho }_0}{\rho })}^m],n>m>3.$

where ${\mathrm{\Phi }}_{12}$ is the intermolecular pair potential, and $\rho$ is the shortest distance between molecule cores.

Oblate core

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References

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 113 pp. 1137-1144 (2015)