Weeks-Chandler-Andersen perturbation theory: Difference between revisions
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The '''Weeks-Chandler-Anderson perturbation theory''' is based on the following | 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 | ||
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]]): | ||
The reference system pair potential is given by (Eq, 4 | The reference system pair potential is given by (Eq, 4): | ||
:<math> | :<math> | ||
Line 22: | Line 22: | ||
</math> | </math> | ||
==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> | |||
==Colloids== | |||
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>. | |||
==References== | ==References== | ||
<references/> | |||
[[category: perturbation theory]] | [[category: perturbation theory]] |
Revision as of 13:36, 5 April 2011
The Weeks-Chandler-Anderson 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
Colloids
The repulsive component of the WCA decomposition has been used as a model for colloids [3].
References
- ↑ 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)
- ↑ 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)
- ↑ 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)