Double square well model: Difference between revisions
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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)