Article ID Journal Published Year Pages File Type
204097 Fluid Phase Equilibria 2008 4 Pages PDF
Abstract

Canonical Monte Carlo (MC) simulations have been performed to calculate thermodynamic properties of hard-core attractive Yukawa fluid (HCAYF) with screening length κ = 1.8, 2.0, 2.5 and 3.0. The obtained coexistence and surface tension curves are compared to molecular dynamics (MD) simulations of hard-core and soft attractive Yukawa fluids previously reported in the literature. We show that the properties of both potentials are different, which is in disagreement to a previous statement. For n = 1.8 we find that the cutoff radius must be at least 5.0 to obtain the correct values of the interfacial properties.

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Physical Sciences and Engineering Chemical Engineering Chemical Engineering (General)
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