Volume-Explicit Equation of State for Fused Hard Sphere Chain Fluids

An extension of a volume-explicit equation of state for chains of tangent hard spheres to chains of fused hard spheres and their mixtures is presented. The extension was achieved by the use of a simple relationship between number of segments and nonsphericity parameter. A comparison of compressibili...

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Bibliographic Details
Published in:Industrial & engineering chemistry research 2008-12, Vol.47 (23), p.9658-9662
Main Authors: Waziri, Saidu M, Hamad, Esam Z
Format: Article
Language:English
Subjects:
Applied sciences
Chemical engineering
Chemical thermodynamics
Chemistry
Exact sciences and technology
General and physical chemistry
General Research
General. Theory
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Summary:An extension of a volume-explicit equation of state for chains of tangent hard spheres to chains of fused hard spheres and their mixtures is presented. The extension was achieved by the use of a simple relationship between number of segments and nonsphericity parameter. A comparison of compressibility factors calculated using the extended equation with corresponding simulation data for hard dumbbell systems at various elongations and for fused long chains molecules and their mixtures has shown that the extended equation is reasonably accurate.
ISSN:0888-5885
1520-5045
DOI:10.1021/ie800755s