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arXiv · cond-mat/0608249

Simulation of phase transitions in highly asymmetric fluid mixtures

Jiwen Liu·Nigel B. Wilding·Erik Luijten
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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.

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Jiwen Liu, Nigel B. Wilding, Erik Luijten. 2006-08-10. Simulation of phase transitions in highly asymmetric fluid mixtures. https://doi.org/10.1103/physrevlett.97.115705

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