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  • Title: The interfacial tension and phase diagram of the Widom-Rowlinson mixture via Monte Carlo simulations.
    Author: Djikaev Y.
    Journal: J Chem Phys; 2008 Jan 07; 128(1):014712. PubMed ID: 18190217.
    Abstract:
    Results of Monte Carlo simulations are reported for the interfacial tension between two fluid phases in a binary mixture of penetrable spheres in which molecular pairs of like species do not interact, while those of unlike species interact as hard spheres. Semigrand canonical ensemble Monte Carlo simulations in a cubic cell with periodic boundary conditions are used to obtain histograms for various system sizes at various densities. At a given density, the interfacial tension and compositions of coexisting phases for an infinite system are evaluated via histogram analysis combined with finite-size scaling. The density dependence of the interfacial tension and phase diagram for an infinite system are thus obtained. The simulated behavior of the interfacial tension close to the critical density corroborates previous suggestions that the model belongs to the three-dimensional Ising universality class.
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