4.4 Article Proceedings Paper

Extension to mixtures of two robust hard-sphere equations of state satisfying the ordered close-packed limit

Journal

CANADIAN JOURNAL OF CHEMICAL ENGINEERING
Volume 79, Issue 4, Pages 678-686

Publisher

CANADIAN SOC CHEMICAL ENGINEERING
DOI: 10.1002/cjce.5450790429

Keywords

hard-sphere; equation of state; mixture radial distribution function; compressibility factor

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Two new hard-sphere EOS are proposed and tested using the same attractive potential terms used by the SAFT EOS. Generalized expressions for the pair RDF at contact value, the compressibility factor, and the excess chemical potentials have been derived. Extension to mixtures is tested using three mixing rules for multicomponent hard-sphere fluids. The proposed EOS combined with the Santos et al. and the Barrio-Solana mixing rules reproduced the compressibility factors and the excess chemical potentials more accurately than the Boublik-Mansood-Carnahan-Starling-Leland (BMCSL) EOS. However the pair RDF at contact value had larger deviations than those obtained with the BMCSL EOS. The combination of the proposed equations and the Barrio-Solana mixing rule gave an accurate reproduction of the compressibility factor for binary hard-sphere fluids with high diameter ratio even in the low concentration regions of the larger spheres.

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