# Difference between revisions of "Kihara potential"

Carl McBride (talk | contribs) m (→References: Added another reference) |
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− | + | The '''Kihara potential''', developed by Taro Kihara | |

− | The '''Kihara potential''' | + | <ref>[http://dx.doi.org/10.1143/JPSJ.6.289 Taro Kihara "The Second Virial Coefficient of Non-Spherical Molecules", Journal of the Physical Society of Japan '''6''' pp. 289-296 (1951)]</ref> |

+ | in 1951, is a non-spherical generalisation of the [[Lennard-Jones model]]. It is given by | ||

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− | where <math>\Phi_{12}</math> is the [[intermolecular pair potential]], and <math>\rho</math> is the | + | 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/> | |

− | + | '''Related material''' | |

− | + | *[http://dx.doi.org/10.1103/RevModPhys.25.831 Taro Kihara "Virial Coefficients and Models of Molecules in Gases", Reviews of Modern Physics '''25''' pp. 831-843 (1953)] | |

− | + | *[http://dx.doi.org/10.1002/9780470143513.ch3 Taro Kihara "Convex molecules in gaseous and crystalline states", Advances in Chemical Physics '''5''' pp. 147-188 (1963)] | |

− | + | *[http://dx.doi.org/10.1080/00268978900101331 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)] | |

− | + | *[http://dx.doi.org/10.1016/0009-2614(91)80253-T Carlos Vega and Santigo Lago "Improved perturbation theory of Kihara fluids", Chemical Physics Letters '''185''' pp. 516-521 (1991)] | |

− | + | *[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/10.1103/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 '''113''' pp. 1137-1144 (2015)] | ||

+ | |||

+ | |||

[[category: models]] | [[category: models]] |

## Latest revision as of 13:11, 22 May 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

where is the intermolecular pair potential, and is the shortest distance between molecule cores.

## Oblate core[edit]

^{[2]}.

## References[edit]

- ↑ 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
**113**pp. 1137-1144 (2015)