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

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Carl McBride (talk | contribs) m (Added mention of application to colloids) |
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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 14:36, 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

^{[2]}

## 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)