Square shoulder + square well model

The Square shoulder + square well model consists, as its name suggests, of a combination of the square shoulder model and the square well model. The model is given by

\Phi _{12}\left(r\right)=\left\{{\begin{array}{ccc}\infty &;&r<\sigma \\\epsilon _{1}&;&\sigma \leq r<\lambda _{1}\sigma \\-\epsilon _{2}&;&\lambda _{1}\sigma \leq r<\lambda _{2}\sigma \\0&;&r\geq \lambda _{2}\sigma \end{array}}\right.

where $\Phi _{12}(r)$ is the intermolecular pair potential, $\epsilon _{1}$ and $\epsilon _{2}$ are the well depths, $r$ is the distance between site 1 and site 2 where $r:=|\mathbf {r} _{1}-\mathbf {r} _{2}|$ , σ is the hard core diameter and $\lambda _{1},\lambda _{2}>1$

Critical points

See Ref.s 1-5.

Liquid-liquid transition

For certain parameter sets the square shoulder + square well model has a liquid-liquid transition. See Ref.s 1-4.

References

Square shoulder + square well model

Critical points

Liquid-liquid transition

References

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