Mie potential: Difference between revisions

Revision as of 14:04, 14 April 2011

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

Φ_{12} (r) = (\frac{n}{n - m}) {(\frac{n}{m})}^{m / (n - m)} ϵ [{(\frac{σ}{r})}^{n} - {(\frac{σ}{r})}^{m}]

where:

$r : = | r_{1} - r_{2} |$
$Φ_{12} (r)$ is the intermolecular pair potential between two particles at a distance r;
$σ$ is the value of $r$ at $Φ (r) = 0$ ;
$ϵ$ : well depth (energy)

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

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

Related reading

@@ Line 9: / Line 9: @@
 Note that when <math>n=12</math> and <math>m=6</math> this becomes the [[Lennard-Jones model]].
 ==(14,7) model==
-#[http://dx.doi.org/10.1063/1.2901164 Afshin Eskandari Nasrabad "Monte Carlo simulations of thermodynamic and structural properties of Mie(14,7) fluids", Journal of Chemical Physics '''128''' 154514 (2008)]
+<ref>[http://dx.doi.org/10.1063/1.2901164 Afshin Eskandari Nasrabad "Monte Carlo simulations of thermodynamic and structural properties of Mie(14,7) fluids", Journal of Chemical Physics '''128''' 154514 (2008)]</ref>
-#[http://dx.doi.org/10.1063/1.2953331 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)]
+<ref>[http://dx.doi.org/10.1063/1.2953331 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)]</ref>
 ==Second virial coefficient==
 The [[second virial coefficient]] and the Vliegenthart–Lekkerkerker relation <ref>[http://dx.doi.org/10.1063/1.3578469 V. L. Kulinskii "The Vliegenthart–Lekkerkerker relation: The case of the Mie-fluids", Journal of Chemical Physics '''134''' 144111 (2011)]</ref>.