A perturbed hard-sphere-chain equation of state for normal fluids and polymers
- Univ. of California, Berkeley, CA (United States). Dept. of Chemical Engineering Lawrence Berkeley Lab., CA (United States)
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.
- DOE Contract Number:
- AC03-76SF00098
- OSTI ID:
- 7036834
- Journal Information:
- Industrial and Engineering Chemistry Research; (United States), Journal Name: Industrial and Engineering Chemistry Research; (United States) Vol. 33:4; ISSN IECRED; ISSN 0888-5885
- Country of Publication:
- United States
- Language:
- English
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