Editing Exp-6 potential
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The '''exp-6 potential''' is given by (Eq. 1 in <ref>[http://dx.doi.org/10.1063/1.1740026 Edward A. Mason "Transport Properties of Gases Obeying a Modified Buckingham (Exp‐Six) Potential", Journal of Chemical Physics '''22''' pp. 169-186 (1954)]</ref>): | |||
The '''exp-6 potential''' | |||
:<math> \Phi_{12}(r) = \frac{\epsilon}{1-6/\alpha} \left[ \left( \frac{6}{\alpha} \right) | :<math> \Phi_{12}(r) = \frac{\epsilon}{1-6/\alpha} \left[ \left( \frac{6}{\alpha} \right) | ||
\exp \left[ \alpha \ | \exp \left[ \alpha \frac{1-r}{\sigma} \right] - \left( \frac{\sigma}{r}\right)^6 \right] </math> | ||
where | where | ||
* <math>r := |\mathbf{r}_1 - \mathbf{r}_2|</math> | * <math>r := |\mathbf{r}_1 - \mathbf{r}_2|</math> | ||
* <math> \Phi_{12}(r) </math> is the [[intermolecular pair potential]] between two particles or ''sites'' | * <math> \Phi_{12}(r) </math> is the [[intermolecular pair potential]] between two particles or ''sites'' | ||
* <math> | * <math> \sigma </math> is the value of <math>r</math> at which <math> \Phi_{12}(r)=0</math> | ||
* <math> \epsilon </math> is the well depth (energy) | * <math> \epsilon </math> is the well depth (energy) | ||
* <math>\alpha</math> is the "steepness" of the repulsive energy | * <math>\alpha</math> is the "steepness" of the repulsive energy | ||
==See also== | ==See also== | ||
*[[Buckingham potential]] | *[[Buckingham potential]] | ||
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*[http://dx.doi.org/10.1063/1.1840523 Marvin Ross and Berni Alder "Shock Compression of Argon. II. Nonadditive Repulsive Potential", Journal of Chemical Physics '''46''' pp. 4203-4210 (1967)] | *[http://dx.doi.org/10.1063/1.1840523 Marvin Ross and Berni Alder "Shock Compression of Argon. II. Nonadditive Repulsive Potential", Journal of Chemical Physics '''46''' pp. 4203-4210 (1967)] | ||
*[http://dx.doi.org/10.1063/1.440106 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)] | *[http://dx.doi.org/10.1063/1.440106 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)] | ||
[[category: models]] | [[category: models]] | ||