Phys. Rev. Lett. 91, 065701 (2003) [4 pages]

Precise Simulation of Near-Critical Fluid Coexistence

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Young C. Kim1, Michael E. Fisher1, and Erik Luijten2
1Institute for Physical Science and Technology, University of Maryland, College Park, Maryland 20742, USA
2Department of Materials Science and Engineering, University of Illinois at Urbana-Champaign, Urbana, Illinois 61801, USA

Received 1 April 2003; published 6 August 2003

We present a novel method to derive liquid-gas coexisting densities, ρ±(T), from grand canonical simulations (without knowledge of Tc or criticality class). The minima of QL≡⟨m2L2/⟨m4L in an L×L×L box with m=ρ-⟨ρ⟩L are used to generate recursively an unbiased universal finite-size scaling function. Monte Carlo data for a hard-core square-well fluid and for the restricted primitive model electrolyte yield ρ± to ±1%–2% of ρc down to 1 part in 104–103 of Tc (and confirm well Ising character). Pressure mixing in the scaling fields is unequivocally revealed and indicates Yang-Yang ratios Rμ=-0.044 and 0.26 for the two models, respectively.


©2003 The American Physical Society

URL: http://link.aps.org/doi/10.1103/PhysRevLett.91.065701
DOI: 10.1103/PhysRevLett.91.065701
PACS: 64.60.Fr, 02.70.Rr, 05.70.Jk, 64.70.Fx

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