exp-6 potential

The exp-6 potential (or Exp-Six potential) is a modified form of the Buckingham potential and is given by (Eq. 1 in ):

${\mathrm{\Phi }}_{12}(r)=\frac{ϵ}{1-6/\alpha }[(\frac{6}{\alpha })\exp [\alpha (1-\frac{r}{r_{min}})]-{(\frac{r_{min}}{r})}^6]$

where

• $r:=|{\mathbf{r}}_1-{\mathbf{r}}_2|$
• ${\mathrm{\Phi }}_{12}(r)$ is the intermolecular pair potential between two particles or sites
• $r_{min}$ is the value of $r$ at which ${\mathrm{\Phi }}_{12}(r)$ is a minimum.
• $ϵ$ is the well depth (energy)
• $\alpha$ is the "steepness" of the repulsive energy

Melting point

An approximate method to locate the melting point is given in . See also .

See also

• Buckingham potential
• Lennard-Jones model

References

Related reading

• Marvin Ross and Berni Alder "Shock Compression of Argon. II. Nonadditive Repulsive Potential", Journal of Chemical Physics 46 pp. 4203-4210 (1967)
• Marvin Ross and F. H. Ree "Repulsive forces of simple molecules and mixtures at high density and temperature", Journal of Chemical Physics 73 pp. 6146-6152 (1980)
• Teik-Cheng Lim "Scaling Function Between the Exponential-6 and the Generalized Lennard-Jones Potential Functions", Journal of Mathematical Chemistry 33 pp. 279-285 (2003)