Lennard-Jones equation of state

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The equation of state of the Lennard-Jones model.

Johnson, Zollweg and Gubbins equation of state

Johnson et al [1] proposed an equation of state based on 33 parameters, which accurately reproduces the vapor liquid equilibrium curve.

Kolafa and Nezbeda equation of state

The Kolafa and Nezbeda equation of state [2]

Melting line

The solid and liquid densities along the melting line are given by the equations of Mastny and de Pablo (Ref [3] Eqs. 20 and 21):

and


References

Related reading

  1. Karel Aim, Jirí Kolafa, Ivo Nezbeda and Horst L. Vörtler "The Lennard-Jones fluid revisited: new thermodynamic data and new equation of state", Fluid Phase Equilibria 83 pp. 15-22 (1993)
  2. G. Sh. Boltachev and V. G. Baidakov "Equation of State for Lennard-Jones Fluid", High Temperature 41 pp. 270-272 (2003)
  3. Hertanto Adidharma and Maciej Radosz "The LJ-Solid Equation of State Extended to Thermal Properties, Chain Molecules, and Mixtures", Industrial and Engineering Chemistry Research 43 pp. 6890 - 6897 (2004)
  4. David M. Eike, Joan F. Brennecke, and Edward J. Maginn "Toward a robust and general molecular simulation method for computing solid-liquid coexistence", Journal of Chemical Physics 122 014115 (2005)