Sutherland potential: Difference between revisions
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\ | \Phi_{12}\left( r \right) = | ||
\left\{ \begin{array}{lll} | \left\{ \begin{array}{lll} | ||
\infty & ; & r \leq \sigma \\ | \infty & ; & r \leq \sigma \\ | ||
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</math> | </math> | ||
where <math> \ | where <math> \Phi_{12}\left( r \right) </math> is the [[intermolecular pair potential]], <math>r := |\mathbf{r}_1 - \mathbf{r}_2|</math> is the distance between site 1 and site 2, | ||
<math> \sigma </math> is the hard diameter, <math> \epsilon </math> is the energy well depth (<math> \epsilon > 0 </math>), and | <math> \sigma </math> is the hard diameter, <math> \epsilon </math> is the energy well depth (<math> \epsilon > 0 </math>), and | ||
<math> \gamma </math> is a parameter that controls the interaction range. | <math> \gamma </math> is a parameter that controls the interaction range. | ||
Revision as of 14:54, 17 July 2008
The Sutherland potential is given by
where is the intermolecular pair potential, is the distance between site 1 and site 2, is the hard diameter, is the energy well depth (), and is a parameter that controls the interaction range.
References
- D. Levi and M. de Llano "Closed form of second virial coefficient for Sutherland potential", Journal of Chemical Physics 63 pp. 4561-4562 (1975)
- A. Díez, J. Largo and J. R. Solana "Structure and thermodynamic properties of Sutherland fluids from computer simulation and the Tang–Lu integral equation theory", Fluid Phase Equilibria 253 pp. 67-73 (2007)
- Jianguo Mi, Yiping Tang, and Chongli Zhong "Theoretical study of Sutherland fluids with long-range, short-range, and highly short-range potential parameters", Journal of Chemical Physics 128 054503 (2008)