Difference between revisions of "Mie potential"

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m (Second virial coefficient: Added lint to an Erratum)
m (References: Added a recent publiaction)
 
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*[http://dx.doi.org/10.1016/j.molliq.2016.12.026 I.M. Zerón, L.A. Padilla, F. Gámez, J. Torres-Arenas, A.L. Benavides "Discrete perturbation theory for Mie potentials", Journal of Molecular Liquids '''229''' pp. 125-136 (2017)]
 
*[http://dx.doi.org/10.1016/j.molliq.2016.12.026 I.M. Zerón, L.A. Padilla, F. Gámez, J. Torres-Arenas, A.L. Benavides "Discrete perturbation theory for Mie potentials", Journal of Molecular Liquids '''229''' pp. 125-136 (2017)]
 
*[http://dx.doi.org/10.1080/00268976.2016.1206218 Stephan Werth, Katrin Stöbener, Martin Horsch and Hans Hasse "Simultaneous description of bulk and interfacial properties of fluids by the Mie potential", Molecular Physics '''115''' pp. 1017-1030 (2017)]
 
*[http://dx.doi.org/10.1080/00268976.2016.1206218 Stephan Werth, Katrin Stöbener, Martin Horsch and Hans Hasse "Simultaneous description of bulk and interfacial properties of fluids by the Mie potential", Molecular Physics '''115''' pp. 1017-1030 (2017)]
 +
*[https://doi.org/10.1063/1.5041320 Richard J. Sadus "Second virial coefficient properties of the n-m Lennard-Jones/Mie potential", Journal of Chemical Physics 149, 074504 (2018)]
  
 
[[Category: Models]]
 
[[Category: Models]]

Latest revision as of 14:11, 12 September 2018

The Mie potential was proposed by Gustav Mie in 1903 [1]. It is given by

 \Phi_{12}(r) = \left( \frac{n}{n-m}\right) \left( \frac{n}{m}\right)^{m/(n-m)} \epsilon \left[ \left(\frac{\sigma}{r} \right)^{n}-  \left( \frac{\sigma}{r}\right)^m \right]

where:

Note that when n=12 and m=6 this becomes the Lennard-Jones model.

The location of the potential minimum is given by

 r_{min} = \left( \frac{n}{m} \sigma^{n-m} \right) ^ {1/(n-m)}

(14,7) model[edit]

[2] [3]

Second virial coefficient[edit]

The second virial coefficient [4] [5] [6] and the Vliegenthart–Lekkerkerker relation [7].

References[edit]

Related reading