Double square well model: Difference between revisions
		
		
		
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| Carl McBride (talk | contribs) m (Added a comment.) | Carl McBride (talk | contribs)  m (Added an expression for the potential.) | ||
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| {{stub-general}} | {{stub-general}} | ||
| The '''double square well model''' can be seen as a variant (or ''vice versa'') of the [[square shoulder + square well model]]. | The '''double square well model''' can be seen as a variant (or ''vice versa'') of the [[square shoulder + square well model]]. In other words | ||
| :<math> | |||
| \Phi_{12}\left( r \right) =  | |||
| \left\{ \begin{array}{ccc} | |||
| \infty & ; & r < \sigma \\ | |||
| - \epsilon_1 & ; &\sigma \le r < \lambda_1 \sigma \\ | |||
| - \epsilon_2 & ; &\lambda_1\sigma \le r < \lambda_2 \sigma \\ | |||
| 0         & ; & r \ge \lambda_2 \sigma \end{array} \right. | |||
| </math> | |||
| where <math>\Phi_{12}(r)</math> is the [[intermolecular pair potential]], <math>\epsilon_1</math> and <math>\epsilon_2</math> are the well ''depths'' (<math>\epsilon_1,\epsilon_2>0</math>), <math>r</math> is the distance between site 1 and site 2  where <math>r := |\mathbf{r}_1 - \mathbf{r}_2|</math>, σ is the hard core diameter | |||
| and <math>\lambda_1,\lambda_2>1</math> | |||
| ==References== | ==References== | ||
| #[http://dx.doi.org/10.1103/PhysRevLett.81.4895 M. Reza Sadr-Lahijany, Antonio Scala, Sergey V. Buldyrev, and H. Eugene Stanley "Liquid-State Anomalies and the Stell-Hemmer Core-Softened Potential", Physical Review Letters '''81''' pp. 4895-4898 (1998)] | |||
| #[http://dx.doi.org/10.1063/1.3043571 J. R. Solana "Thermodynamic properties of double square-well fluids: Computer simulations and theory", Journal of Chemical Physics '''129''' 244502 (2008)] | #[http://dx.doi.org/10.1063/1.3043571 J. R. Solana "Thermodynamic properties of double square-well fluids: Computer simulations and theory", Journal of Chemical Physics '''129''' 244502 (2008)] | ||
| [[category: models]] | [[category: models]] | ||
Revision as of 15:38, 2 January 2009
The double square well model can be seen as a variant (or vice versa) of the square shoulder + square well model. In other words
where is the intermolecular pair potential, and are the well depths (), is the distance between site 1 and site 2 where , σ is the hard core diameter and
References
- M. Reza Sadr-Lahijany, Antonio Scala, Sergey V. Buldyrev, and H. Eugene Stanley "Liquid-State Anomalies and the Stell-Hemmer Core-Softened Potential", Physical Review Letters 81 pp. 4895-4898 (1998)
- J. R. Solana "Thermodynamic properties of double square-well fluids: Computer simulations and theory", Journal of Chemical Physics 129 244502 (2008)
