Lennard-Jones equation of state: Difference between revisions

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*[http://dx.doi.org/10.1063/1.3561698 Sergey A. Khrapak and Gregor E. Morfill "Accurate freezing and melting equations for the Lennard-Jones system", Journal of Chemical Physics '''134''' 094108 (2011)]
*[http://dx.doi.org/10.1063/1.3561698 Sergey A. Khrapak and Gregor E. Morfill "Accurate freezing and melting equations for the Lennard-Jones system", Journal of Chemical Physics '''134''' 094108 (2011)]
*[https://doi.org/10.1063/1.4945000 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)]
*[https://doi.org/10.1063/1.4945000 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)]
*[https://doi.org/10.1080/00268976.2018.1447153 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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[[category: equations of state]]
[[category: equations of state]]

Revision as of 10:04, 9 July 2018

The equation of state of the Lennard-Jones model.

Johnson, Zollweg and Gubbins

Johnson, Zollweg and Gubbins [1] 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 Kolafa and Nezbeda equation of state [2] provides us with the Helmholtz energy function: (Eq. 30):

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.

Ree

The Ree equation of state [3] is an extension of the earlier work of Hansen [4] in the high temperature region.

Boltachev and Baidakov

Boltachev and Baidakov have paid particular attention to including data from the metastable region [5].

Pieprzyk-Brańka-Maćkowiak and Heyes

The Pieprzyk-Brańka-Maćkowiak and Heyes equation of state [6] consists of a parameterisation of the modified Benedict, Webb and Rubin equation of state.

References

Related reading


This page contains numerical values and/or equations. If you intend to use ANY of the numbers or equations found in SklogWiki in any way, you MUST take them from the original published article or book, and cite the relevant source accordingly.