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Integral equation study of an ideal Ising mixture.

作者信息

Fenz W, Omelyan I P, Folk R

机构信息

Institute for Theoretical Physics, Linz University, A-4040 Linz, Austria.

出版信息

Phys Rev E Stat Nonlin Soft Matter Phys. 2005 Nov;72(5 Pt 2):056121. doi: 10.1103/PhysRevE.72.056121. Epub 2005 Nov 16.

Abstract

We construct an integral equation scheme for magnetic binary mixtures of an ideal soft-core Ising fluid and a soft-sphere fluid by mapping the system onto an equivalent nonmagnetic ternary mixture. We apply the multicomponent Ornstein-Zernike equation together with a closure relation based on the soft mean spherical approximation and a field constraint for the Ising fluid component. Phase coexistence curves are calculated both by directly evaluating the chemical potentials via the bridge function, and by using a Maxwell-like construction which is derived in the text. Our results are compared to Monte Carlo data obtained earlier, and we find that the second method yields a much better agreement with the simulations.

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