A Perturbed Hard-Sphere-Chain Equation of State for Normal Fluids and Polymers

A perturbed hard-sphere-chain (PHSC) equation of state is presented which uses the modified Chiew equation of state for hard-sphere chains as the reference term, a van der Waals type perturbation term, and the Song-Mason method to relate equation-of-state parameters to the intermolecular potential....

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Bibliographic Details
Published in:Industrial & engineering chemistry research 1994-04, Vol.33 (4), p.1047-1057
Main Authors: Song, Yuhua, Lambert, Stephen M, Prausnitz, John M
Format: Article
Language:English
Subjects:
400201 - Chemical & Physicochemical Properties
Chemical thermodynamics
Chemistry
COMPRESSIBILITY
DENSITY
Elements, mineral and organic compounds
EQUATIONS
EQUATIONS OF STATE
Exact sciences and technology
FLUIDS
General and physical chemistry
INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY
MECHANICAL PROPERTIES
MOLECULAR WEIGHT
PHYSICAL PROPERTIES
POLYMERS
Thermodynamic properties
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Description
Summary:A perturbed hard-sphere-chain (PHSC) equation of state is presented which uses the modified Chiew equation of state for hard-sphere chains as the reference term, a van der Waals type perturbation term, and the Song-Mason method to relate equation-of-state parameters to the intermolecular potential. The PHSC equation requires three parameters to describe a pure fluid: the number of effective hard spheres per molecule, the segmental diameter, and the intermolecular potential-well depth between a nonbonded pair of segments. The PHSC equation reproduces the thermodynamic properties of a wide variety of normal fluids including polymers. Regressed parameters are related to characteristic molecular properties calculated from group contributions based on chemical structure.
ISSN:0888-5885
1520-5045
DOI:10.1021/ie00028a037