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Computer simulation of solid-liquid coexistence in binary hard-sphere mixtures

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Published under licence by IOP Publishing Ltd
, , Citation W G T Kranendonk and D Frenkel 1989 J. Phys.: Condens. Matter 1 7735 DOI 10.1088/0953-8984/1/41/026

0953-8984/1/41/7735

Abstract

The authors report the first numerical simulation of the melting curve of a binary mixture. The melting curves of binary hard-sphere mixtures with diameter ratios alpha =0.95 and 0.90 were obtained by Monte Carlo simulation. For alpha =0.95 the phase diagram is found to be spindle-like; for alpha =0.90 it exhibits an azeotrope. They compare these findings with predictions based on density-functional theory.

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10.1088/0953-8984/1/41/026