Square shoulder + square well model
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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
where Φ12(r) is the intermolecular pair potential, ε1 and ε2 are the well depths, r is the distance between site 1 and site 2 where
, σ is the hard core diameter
and λ1,λ2 > 1
[edit] Critical points
See Ref. 2.
[edit] Liquid-liquid transition
For certain parameter sets the square shoulder + square well model has a liquid-liquid transition.
[edit] References
- Andreas Lang, Gerhard Kahl, Christos N Likos, Hartmut Löwen and Martin Watzlawek "Structure and thermodynamics of square-well and square-shoulder fluids", Journal of Physics: Condensed Matter 11 pp. 10143-10161 (1999)
- W. Rzysko, O. Pizio, A. Patrykiejew, and S. Sokolowski "Phase diagram of a square-shoulder, square-well fluid revisited", Journal of Chemical Physics 129 124502 (2008)
- Shiqi Zhou, A. Lajovic, and A. Jamnik "Local structures of fluid with discrete spherical potential: Theory and grand canonical ensemble Monte Carlo simulation", Journal of Chemical Physics 129 124503 (2008)




