Simulation of phase transitions in highly asymmetric fluid mixtures

Jiwen Liu*, Nigel B. Wilding, Erik Luijten

*Corresponding author for this work

Research output: Contribution to journalArticle (Academic Journal)peer-review

17 Citations (Scopus)

Abstract

We present a novel method for the accurate numerical determination of the phase behavior of fluid mixtures having large particle-size asymmetries. By incorporating the recently developed geometric cluster algorithm within a restricted Gibbs ensemble, we are able to probe directly the density and concentration fluctuations that drive phase transitions, but that are inaccessible to conventional simulation algorithms. We develop a finite-size scaling theory that relates these density fluctuations to those of the grand-canonical ensemble, thereby enabling accurate location of critical points and coexistence curves of multicomponent fluids. Several illustrative examples are presented.

Original languageEnglish
Article number115705
JournalPhysical Review Letters
Volume97
Issue number11
DOIs
Publication statusPublished - 21 Sep 2006

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