N-6 Lennard-Jones potential: Difference between revisions
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Carl McBride (talk | contribs) (New page: The '''n-6 Lennard-Jones potential''' is a variant the more well known Lennard-Jones model. The potential is given by <ref>[http://dx.doi.org/10.1063/1.3253686 Alauddin Ahmed and Richa...) |
Carl McBride (talk | contribs) m (Added mention of the Mie potential.) |
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The '''n-6 Lennard-Jones potential''' is a variant the more well known [[Lennard-Jones model]]. The potential is given by <ref>[http://dx.doi.org/10.1063/1.3253686 Alauddin Ahmed and Richard J. Sadus "Solid-liquid equilibria and triple points of n-6 Lennard-Jones fluids", Journal of Chemical Physics '''131''' 174504 (2009)]</ref>: | The '''n-6 Lennard-Jones potential''' is a variant the more well known [[Lennard-Jones model]] (or from a different point of view, a particular case of the [[Mie potential]]).. The potential is given by <ref>[http://dx.doi.org/10.1063/1.3253686 Alauddin Ahmed and Richard J. Sadus "Solid-liquid equilibria and triple points of n-6 Lennard-Jones fluids", Journal of Chemical Physics '''131''' 174504 (2009)]</ref>: | ||
:<math> \Phi_{12}(r) = \epsilon \left( \frac{n}{n-6} \right)\left( \frac{n}{6} \right)^{\frac{6}{n-6}} \left[ \left(\frac{\sigma}{r} \right)^{n}- \left( \frac{\sigma}{r}\right)^6 \right] </math> | :<math> \Phi_{12}(r) = \epsilon \left( \frac{n}{n-6} \right)\left( \frac{n}{6} \right)^{\frac{6}{n-6}} \left[ \left(\frac{\sigma}{r} \right)^{n}- \left( \frac{\sigma}{r}\right)^6 \right] </math> | ||
Revision as of 17:16, 3 November 2009
The n-6 Lennard-Jones potential is a variant the more well known Lennard-Jones model (or from a different point of view, a particular case of the Mie potential).. The potential is given by [1]:
![{\displaystyle \Phi _{12}(r)=\epsilon \left({\frac {n}{n-6}}\right)\left({\frac {n}{6}}\right)^{\frac {6}{n-6}}\left[\left({\frac {\sigma }{r}}\right)^{n}-\left({\frac {\sigma }{r}}\right)^{6}\right]}](https://wikimedia.org/api/rest_v1/media/math/render/svg/9f27dcbb376b2716bf1ca362c9d484c709b691f7)
where
- is the intermolecular pair potential between two particles or sites
- is the diameter (length), i.e. the value of at which
- is the well depth (energy)
