Hard ellipsoid model: Difference between revisions

From SklogWiki
Jump to navigation Jump to search
No edit summary
No edit summary
Line 7: Line 7:
where <math>a</math>, <math>b </math> and <math>c</math> define the lengths of the
where <math>a</math>, <math>b </math> and <math>c</math> define the lengths of the
axis.
axis.
==Overlap algorithm==
The most widely used overlap algorithm is that of Perram and Wertheim:
*[http://dx.doi.org/:10.1016/0021-9991(85)90171-8  John W. Perram and M. S. Wertheim "Statistical mechanics of hard ellipsoids. I. Overlap algorithm and the contact function", Journal of Computational Physics  '''58''' pp. 409-416 (1985)]
==See also==
==See also==
*[[Hard ellipsoid equation of state]]
*[[Hard ellipsoid equation of state]]

Revision as of 11:49, 21 May 2007

A prolate ellipsoid.

Interaction Potential

The general ellipsoid, also called a triaxial ellipsoid, is a quadratic surface which is given in Cartesian coordinates by

where , and define the lengths of the axis.

Overlap algorithm

The most widely used overlap algorithm is that of Perram and Wertheim:

See also

References

  1. Carl McBride and Enrique Lomba "Hard biaxial ellipsoids revisited: Numerical results", Fluid Phase Equilibria 255 pp. 37-45 (2007)