Mie potential

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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:

  • \(r := |\mathbf{r}_1 - \mathbf{r}_2|\)
  • \( \Phi_{12}(r) \) is the intermolecular pair potential between two particles at a distance r;
  • \( \sigma \) is the value of \(r\) at \( \Phi(r)=0\) ;
  • \( \epsilon \) : well depth (energy)

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

[edit] (14,7) model

[2] [3]

[edit] Second virial coefficient

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

[edit] References

  1. Gustav Mie "Zur kinetischen Theorie der einatomigen Körper", Annalen der Physik 11 pp. 657-697 (1903) (check this reference)
  2. Afshin Eskandari Nasrabad "Monte Carlo simulations of thermodynamic and structural properties of Mie(14,7) fluids", Journal of Chemical Physics 128 154514 (2008)
  3. 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)
  4. V. L. Kulinskii "The Vliegenthart–Lekkerkerker relation: The case of the Mie-fluids", Journal of Chemical Physics 134 144111 (2011)

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