Mie potential

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

${\mathrm{\Phi }}_{12}(r)=(\frac{n}{n-m}){(\frac{n}{m})}^{m/(n-m)}ϵ[{(\frac{\sigma }{r})}^n-{(\frac{\sigma }{r})}^m]$

where:

• $r:=|{\mathbf{r}}_1-{\mathbf{r}}_2|$
• ${\mathrm{\Phi }}_{12}(r)$ is the intermolecular pair potential between two particles at a distance r;
• $\sigma$ is the diameter (length), i.e. the value of $r$ at $\mathrm{\Phi }(r)=0$ ;
• $ϵ$ : well depth (energy)

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

(14,7) model

1. Afshin Eskandari Nasrabad "Monte Carlo simulations of thermodynamic and structural properties of Mie(14,7) fluids", Journal of Chemical Physics 128 154514 (2008)
2. Afshin Eskandari Nasrabad, Nader Mansoori Oghaz, and Behzad Haghighi "Transport properties of Mie(14,7) fluids: Molecular dynamics simulation and theory", Journal of Chemical Physics 129 024507 (2008)

References

1. Gustav Mie "Zur kinetischen Theorie der einatomigen Körper", Annalen der Physik 11 pp. 657-697 (1903) (check this reference)
2. Pedro Orea, Yuri Reyes-Mercado, Yurko Duda "Some universal trends of the Mie(n,m) fluid thermodynamics", Physics Letters A 372 pp. 7024-7027 (2008)