Difference between revisions of "Weeks-Chandler-Andersen perturbation theory"

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The '''Weeks-Chandler-Anderson perturbation theory''' is based on the following
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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
decomposition of the [[intermolecular pair potential]] (in particular, the [[Lennard-Jones model | Lennard-Jones potential]] ):
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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 Ref. 1):
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The reference system pair potential is given by (Eq, 4):
  
 
:<math>
 
:<math>
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</math>
 
</math>
 
==Ben-Amotz-Stell reformulation==
 
==Ben-Amotz-Stell reformulation==
*[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)]
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<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>
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==Colloids==
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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==
#[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)]
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<references/>
 
[[category: perturbation theory]]
 
[[category: perturbation theory]]

Revision as of 14:36, 5 April 2011