Double square well model
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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. In other words
\[ \Phi_{12}\left( r \right) = \left\{ \begin{array}{ccc} \infty & ; & r < \sigma \\ - \epsilon_1 & ; &\sigma \le r < \lambda_1 \sigma \\ - \epsilon_2 & ; &\lambda_1\sigma \le r < \lambda_2 \sigma \\ 0 & ; & r \ge \lambda_2 \sigma \end{array} \right. \]
where \(\Phi_{12}(r)\) is the intermolecular pair potential, \(\epsilon_1\) and \(\epsilon_2\) are the well depths (\(\epsilon_1,\epsilon_2>0\)), \(r\) is the distance between site 1 and site 2 where \(r := |\mathbf{r}_1 - \mathbf{r}_2|\), σ is the hard core diameter and \(\lambda_1,\lambda_2>1\)
[edit] 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)
