Smith and Nezbeda associated fluid model

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The Smith and Nezbeda associated fluid model [1] consists of a hard sphere that has an attractive square well patch. The potential is given by (Eq. 1)


\[\Phi({\mathbf r}_{ij}) =\Phi_{HS}({\mathbf r}_{ij}) + \Phi_{CS}({\mathbf r}_{ij}) + \Phi_{SC}({\mathbf r}_{ij})\]


where \(\) (Eq. 2)

\[ \Phi_{CS} \left({\mathbf r}_{ij} \right) = \left\{ \begin{array}{ccc} 0 & ; & r_{CS} < 0.5 \\ - \epsilon & ; & 0.5 \le r_{CS} < \lambda \\ 0 & ; & \lambda \le r_{CS} \end{array} \right. \]


[edit] See also

[edit] References

  1. William R. Smith and Ivo Nezbeda "A simple model for associated fluids", Journal of Chemical Physics 81 pp. 3694-3699 (1984)
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