Weeks-Chandler-Andersen perturbation theory: Difference between revisions

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The '''Weeks-Chandler-Anderson perturbation theory''' <ref>[http://dx.doi.org/10.1063/1.1674820    John D. Weeks, David Chandler and Hans C. Andersen "Role of Repulsive Forces in Determining the Equilibrium Structure of Simple Liquids", Journal of Chemical Physics '''54''' pp. 5237-5247 (1971)]</ref> is based on the following
The '''Weeks-Chandler-Andersen perturbation theory''' <ref>[http://dx.doi.org/10.1063/1.1674820    John D. Weeks, David Chandler and Hans C. Andersen "Role of Repulsive Forces in Determining the Equilibrium Structure of Simple Liquids", Journal of Chemical Physics '''54''' pp. 5237-5247 (1971)]</ref> is based on the following
decomposition of the [[intermolecular pair potential]] (in particular, the [[Lennard-Jones model | Lennard-Jones potential]]):
decomposition of the [[intermolecular pair potential]] (in particular, the [[Lennard-Jones model | Lennard-Jones potential]]):


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==Ben-Amotz-Stell reformulation==
==Ben-Amotz-Stell reformulation==
<ref>[http://dx.doi.org/10.1021/jp037810s  Dor Ben-Amotz and George Stell "Reformulation of Weeks-Chandler-Andersen Perturbation Theory Directly in Terms of a Hard-Sphere Reference System", Journal of Physical Chemistry B '''108''' pp. 6877-6882 (2004)]</ref>
<ref>[http://dx.doi.org/10.1021/jp037810s  Dor Ben-Amotz and George Stell "Reformulation of Weeks-Chandler-Andersen Perturbation Theory Directly in Terms of a Hard-Sphere Reference System", Journal of Physical Chemistry B '''108''' pp. 6877-6882 (2004)]</ref>
==Colloids==
==See also==
The repulsive component of the WCA decomposition has been used as a model for [[colloids]] <ref>[http://dx.doi.org/10.1063/1.3572059 L. Filion, R. Ni, D. Frenkel, and M. Dijkstra "Simulation of nucleation in almost hard-sphere colloids: The discrepancy between experiment and simulation persists", Journal of Chemical Physics '''134''' 134901 (2011)]</ref>.
*[[Weeks-Chandler-Andersen reference system model]]
==References==
==References==
<references/>
<references/>
[[category: perturbation theory]]
[[category: perturbation theory]]

Latest revision as of 17:10, 13 December 2017

The Weeks-Chandler-Andersen perturbation theory [1] is based on the following decomposition of the intermolecular pair potential (in particular, the Lennard-Jones potential):

The reference system pair potential is given by (Eq, 4):

and the perturbation potential is given by (Eq, 5 Ref. 1):

Ben-Amotz-Stell reformulation[edit]

[2]

See also[edit]

References[edit]