Difference between revisions of "Kihara potential"

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{{Stub-general}}
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The '''Kihara potential''', developed by Taro Kihara
The '''Kihara potential''' was developed by Taro Kihara in 1951 (Ref. 1) and was inspired by the [[Lennard-Jones model]]. It is given by  
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<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>
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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 intermolecular distance.
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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]].
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==Oblate core==
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<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==
#[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)]
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<references/>
#[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)]
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'''Related material'''
#T. Kihara "Convex molecules in gaseous and crystalline states", Advances in Chemical Physics '''5''' pp.  147-188 (1963)
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*[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/10.1016/0009-2614(91)80253-T  Carlos Vega and Santigo Lago  "Improved perturbation theory of Kihara fluids", Chemical Physics Letters  '''185''' pp.  516-521 (1991)]
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*[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/10.1021/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)]
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*[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/10.1063/1.473473 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)]
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*[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/10.1103/PhysRevE.68.011704     A. Cuetos, B. Martínez-Haya,  S. Lago and L. F. Rull "Liquid crystal behavior of the Kihara fluid", Physical Review E '''68''' 011704 (2003)]
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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)]
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*[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)]
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*[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)]
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*[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)]
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[[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


\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.


where \Phi_{12} is the intermolecular pair potential, and \rho is the shortest distance between molecule cores.

Oblate core[edit]

[2].

References[edit]

Related material