Hard ellipsoid model

A prolate ellipsoid.

Interaction Potential

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

${\frac {x^{2}}{a^{2}}}+{\frac {y^{2}}{b^{2}}}+{\frac {z^{2}}{c^{2}}}=1$

where $a$, $b$ and $c$ define the lengths of the axis.

Overlap algorithm

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

• 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

• Hard ellipsoid equation of state

References

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