Abstract
Microscopic equations-of-state are developed for n-alkanes and polyethylene based on the polymer reference interaction site model (PRISM) integral equation theory and a generalized Flory approach. The molecules are modeled as a series of overlapping spheres (methylene groups ) with constant bond length and bond angles; internal rotations are accounted for by the rotational isomeric state approximation. The interaction between sites on different molecules is taken to be of the Lennard-Jones form. the thermodynamic properties of the fluid are obtained via standard perturbation.
Original language | English (US) |
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Pages (from-to) | 2655-2662 |
Number of pages | 8 |
Journal | Macromolecules |
Volume | 26 |
Issue number | 11 |
DOIs | |
State | Published - Jan 1 1993 |
ASJC Scopus subject areas
- Organic Chemistry
- Polymers and Plastics
- Inorganic Chemistry
- Materials Chemistry