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 journalArticlepeer-review

16 Scopus citations

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 (US)
Article number115705
JournalPhysical review letters
Volume97
Issue number11
DOIs
StatePublished - 2006

ASJC Scopus subject areas

  • Physics and Astronomy(all)

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