Weeks-Chandler-Andersen perturbation theory - Revision history

Carl McBride: Moved colloids to a new page

2017-12-13T16:10:24Z

Moved colloids to a new page

← Older revision		Revision as of 18:10, 13 December 2017
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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]]

Carl McBride: moved Weeks-Chandler-Anderson perturbation theory to Weeks-Chandler-Andersen perturbation theory: Corrected name.

2012-02-16T11:38:59Z

moved Weeks-Chandler-Anderson perturbation theory to Weeks-Chandler-Andersen perturbation theory: Corrected name.

← Older revision	Revision as of 13:38, 16 February 2012
(No difference)

JuanManuel: Fixed typo

2012-02-16T11:31:52Z

Fixed typo

← Older revision		Revision as of 13:31, 16 February 2012
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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]]):

Carl McBride: Added mention of application to colloids

2011-04-05T12:36:18Z

Added mention of application to colloids

← Older revision		Revision as of 14:36, 5 April 2011
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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 ~~Ref. 1~~):		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)]		<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==
	~~#[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)]		<references/>
	[[category: perturbation theory]]		[[category: perturbation theory]]

Carl McBride at 11:05, 28 February 2008

2008-02-28T11:05:07Z

← Older revision		Revision as of 13:05, 28 February 2008
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	\end{array} \right.		\end{array} \right.
	</math>		</math>
			==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)]
	==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)]		#[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)]
	[[category: perturbation theory]]		[[category: perturbation theory]]

Nice and Tidy at 13:25, 21 June 2007

2007-06-21T13:25:15Z

← Older revision		Revision as of 15:25, 21 June 2007
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	\Phi_{\rm repulsive} (r) = \left\{		\Phi_{\rm repulsive} (r) = \left\{
	\begin{array}{ll}		\begin{array}{ll}
	u_{\rm LJ}(r) + \epsilon & {\rm if} \; r < 2^{1/6}\sigma \\		\Phi_{\rm LJ}(r) + \epsilon & {\rm if} \; r < 2^{1/6}\sigma \\
	0 & {\rm if} \; r \ge 2^{1/6}\sigma		0 & {\rm if} \; r \ge 2^{1/6}\sigma
	\end{array} \right.		\end{array} \right.
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	\begin{array}{ll}		\begin{array}{ll}
	-\epsilon & {\rm if} \; r < 2^{1/6}\sigma \\		-\epsilon & {\rm if} \; r < 2^{1/6}\sigma \\
	u_{\rm LJ}(r) & {\rm if} \; r \ge 2^{1/6}\sigma		\Phi_{\rm LJ}(r) & {\rm if} \; r \ge 2^{1/6}\sigma
	\end{array} \right.		\end{array} \right.
	</math>		</math>

Nice and Tidy at 13:16, 21 June 2007

2007-06-21T13:16:41Z

← Older revision		Revision as of 15:16, 21 June 2007
Line 5:		Line 5:

	:<math>		:<math>
	u_{\rm repulsive} (r) = \left\{		\Phi_{\rm repulsive} (r) = \left\{
	\begin{array}{ll}		\begin{array}{ll}
	u_{\rm LJ}(r) + \epsilon & {\rm if} \; r < 2^{1/6}\sigma \\		u_{\rm LJ}(r) + \epsilon & {\rm if} \; r < 2^{1/6}\sigma \\
Line 15:		Line 15:

	:<math>		:<math>
	u_{\rm attractive} (r) = \left\{		\Phi_{\rm attractive} (r) = \left\{
	\begin{array}{ll}		\begin{array}{ll}
	-\epsilon & {\rm if} \; r < 2^{1/6}\sigma \\		-\epsilon & {\rm if} \; r < 2^{1/6}\sigma \\

Carl McBride: New page: The '''Weeks-Chandler-Anderson perturbation theory''' is based on the following decomposition of the intermolecular pair potential (in particular, the [[Lennard-Jones model | Lennard-J...

2007-06-20T14:40:37Z

New page: The '''Weeks-Chandler-Anderson perturbation theory''' is based on the following decomposition of the intermolecular pair potential (in particular, the [[Lennard-Jones model | Lennard-J...

New page

The '''Weeks-Chandler-Anderson perturbation theory''' is based on the following
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):

:<math>
u_{\rm repulsive} (r) = \left\{
\begin{array}{ll}
u_{\rm LJ}(r) + \epsilon & {\rm if} \; r < 2^{1/6}\sigma \\
0 & {\rm if} \; r \ge 2^{1/6}\sigma
\end{array} \right.
</math>

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

:<math>
u_{\rm attractive} (r) = \left\{
\begin{array}{ll}
-\epsilon & {\rm if} \; r < 2^{1/6}\sigma \\
u_{\rm LJ}(r) & {\rm if} \; r \ge 2^{1/6}\sigma
\end{array} \right.
</math>
==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)]
[[category: perturbation theory]]