Double square well model

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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

Φ12(r)={∞;r<σ−ϵ1;σ≤r<λ1σ−ϵ2;λ1σ≤r<λ2σ0;r≥λ2σ

where Φ12(r) is the intermolecular pair potential, ϵ1 and ϵ2 are the well depths (ϵ1,ϵ2>0), r is the distance between site 1 and site 2 where r:=|r1−r2|, σ is the hard core diameter and λ1,λ2>1

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)