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Perturbation theory for systems with strong short-ranged interactions

Per Sillrén (Institutionen för teknisk fysik) ; Jean-Pierre Hansen
Molecular Physics (0026–8976). Vol. 105 (2007), 13-14, p. 1803-1811.
[Artikel, refereegranskad vetenskaplig]

We propose a variant of thermodynamic perturbation theory based on the Mayer f-function which is applicable to strongly repulsive, and even singular interactions. The expansion of the free energy is successfully tested against known 'exact results' for hard-sphere fluids, and then applied to binary mixtures of particles with non-additive hard cores or shouldered potentials. The resulting phase diagrams agree well with existing simulation data and theoretical predictions.

Nyckelord: Perturbation theory, strong interactions, statistical physics, binary mixture, hard sphere

Denna post skapades 2008-02-13. Senast ändrad 2013-08-05.
CPL Pubid: 68234


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