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On the critical non-additivity driving segregation of asymmetric binary hard sphere fluids

Per Sillrén (Institutionen för teknisk fysik, Kondenserade materiens fysik) ; Jean-Pierre Hansen
Molecular Physics (0026–8976). Vol. 108 (2010), 1, p. 97-104.
[Artikel, refereegranskad vetenskaplig]

A previously proposed version of thermodynamic perturbation theory, appropriate for singular pair interactions between particles, is applied to binary mixtures of hard spheres with non-additive diameters. The critical non-additivity Delta_C required to drive fluid–fluid phase separation is determined as a function of the ratio xi < 1 of the diameters of the two species. Delta_C(xi) is found to decrease with xi and to go through a minimum for xi = 0.015 before increasing sharply as xi -> 0, irrespective of the total packing-fraction eta of the mixture. These results are the basis of an estimate of the range of size ratios for which a binary mixture of additive hard spheres exhibit a fluid–fluid miscibility gap. This range is conjectured to be 0.01 < xi < 0.1.

Nyckelord: perturbation theory, simple liquids, binary mixture, hard sphere, phase separation

Denna post skapades 2010-01-22. Senast ändrad 2014-03-24.
CPL Pubid: 110447


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