Square shoulder model

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The square shoulder model is given by [1]


\Phi_{12}\left( r \right) = 
\left\{ \begin{array}{ccc}
\infty & ; & r < \sigma \\
\epsilon & ; &\sigma \le r < \lambda \sigma \\
0         & ; & r \ge \lambda \sigma \end{array} \right.

where \Phi_{12}(r) is the intermolecular pair potential, \epsilon is the height of the shoulder, r is the distance between site 1 and site 2 r := |\mathbf{r}_1 - \mathbf{r}_2|, σ is the hard diameter and λ > 1.

Direct correlation function[edit]

The direct correlation function [2]

Equation of State[edit]

[3].

Binary mixture[edit]

[4]

References[edit]

Related reading