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Binary fluid mixture of hard ellipses: Integral equation and weighted density functional theory

M. Moradi and R. Khordad

Physica A: Statistical Mechanics and its Applications, 2007, vol. 384, issue 2, 187-198

Abstract: We study a two-dimensional (2D) classical fluid mixture of hard convex shapes. The components of the mixture are two kinds of hard ellipses with different aspect ratios. Two different approaches are used to calculate the direct, pair and total correlation functions of this fluid and results are compared. We first use a formalism based on the weighted density functional theory (WDFT), introduced by Chamoux and Perera [Phys. Rev. E 58 (1998) 1933]. Second, in general the Percus–Yevick (PY) and the hypernetted chain (HNC) integral equations are solved numerically for the 2D fluid mixtures of hard noncircular particles. Explicit results are obtained for the fluid mixtures of hard ellipses and comparisons are made by the two approaches. Also, the results are compared with the recent Monte Carlo simulation for the one-component fluids of hard ellipses. Finally we obtained the equation of state of hard ellipses for the aspect ratio sufficiently close to 1 and compared our results with the simulations of the fluid mixtures of hard disks.

Keywords: Binary fluid mixture; Convex shapes; Ellipse molecules; Correlation function (search for similar items in EconPapers)
Date: 2007
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Persistent link: https://EconPapers.repec.org/RePEc:eee:phsmap:v:384:y:2007:i:2:p:187-198

DOI: 10.1016/j.physa.2007.05.039

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Physica A: Statistical Mechanics and its Applications is currently edited by K. A. Dawson, J. O. Indekeu, H.E. Stanley and C. Tsallis

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