Simulation of phase transitions in highly asymmetric fluid mixtures

Details Simulation of phase transitions in highly asymmetric fluid mixtures Simulation of phase transitions in highly asymmetric fluid mixtures

2006-08-10

arxiv.org/abs/cond-mat/0608249v1

Phys. Rev. Lett. 97, 115705 (2006)

Physics

Condensed Matter

Soft Condensed Matter

Accepted for publication in Physical Review Letters

Scientific paper

10.1103/PhysRevLett.97.115705

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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