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>, &sigma; 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 16:38, 2 January 2009

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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

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

  1. 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)
  2. J. R. Solana "Thermodynamic properties of double square-well fluids: Computer simulations and theory", Journal of Chemical Physics 129 244502 (2008)