Lennard-Jones equation of state
Johnson, Zollweg and Gubbins
Johnson, Zollweg and Gubbins  proposed an equation of state based on 33 parameters within a modified Benedict, Webb and Rubin equation of state, which accurately reproduces the vapour-liquid equilibrium curve.
Kolafa and Nezbeda
the compressibility factor (Eq. 31)
and the internal energy (Eq. 32)
On the following page is the FORTRAN code for the Kolafa and Nezbeda equation of state.
Boltachev and Baidakov
Boltachev and Baidakov have paid particular attention to including data from the metastable region .
Pieprzyk-Brańka-Maćkowiak and Heyes
- J. Karl Johnson, John A. Zollweg and Keith E. Gubbins "The Lennard-Jones equation of state revisited", Molecular Physics 78 pp. 591-618 (1993)
- Jirí Kolafa, Ivo Nezbeda "The Lennard-Jones fluid: an accurate analytic and theoretically-based equation of state", Fluid Phase Equilibria 100 pp. 1-34 (1994)
- Francis H. Ree "Analytic representation of thermodynamic data for the Lennard‐Jones fluid", Journal of Chemical Physics 73 pp. 5401-5403 (1980)
- Jean-Pierre Hansen "Phase Transition of the Lennard-Jones System. II. High-Temperature Limit", Physical Review A 2 pp. 221-230 (1970)
- G. Sh. Boltachev and V. G. Baidakov "Equation of State for Lennard-Jones Fluid", High Temperature 41 pp. 270-272 (2003)
- S. Pieprzyk, A. C. Brańka, Sz. Maćkowiak and D. M. Heyes "Comprehensive representation of the Lennard-Jones equation of state based on molecular dynamics simulation data", Journal of Chemical Physics 148 114505 (2018)
- J. J. Nicolas, K. E. Gubbins, W. B. Streett and D. J. Tildesley "Equation of state for the Lennard-Jones fluid", Molecular Physics 37 pp. 1429-1454 (1979)
- 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)
- 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)
- 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)
- Sergey A. Khrapak and Gregor E. Morfill "Accurate freezing and melting equations for the Lennard-Jones system", Journal of Chemical Physics 134 094108 (2011)
- Monika Thol, Gabor Rutkai, Andreas Köster, Rolf Lustig, Roland Span, and Jadran Vrabec "Equation of State for the Lennard-Jones Fluid", Journal of Physical and Chemical Reference Data 45 023101 (2016)
- Michaela Heier, Simon Stephan, Jinlu Liu, Walter G. Chapman, Hans Hasse and Kai Langenbach "Equation of state for the Lennard-Jones truncated and shifted fluid with a cut-off radius of 2.5σ based on perturbation theory and its applications to interfacial thermodynamics", Molecular Physics 116 pp. 2083-2094 (2018)
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