Local composition model for square-well chains using the generalized flory dimer theory
In: Journal of physical chemistry (1952), Jg. 96 (1992), Heft 26, S. 11004-11009
academicJournal
- print, 23 ref
Zugriff:
The generalized Flory dimer (GFD) theory of Hall and co-workers provides a highly accurate equation of state of state for hard-chain molecules. It has been extended here to treat chain molecules that interact with a square-well site-site potential by using closed-form expressions for the equations of state for square-well monomer and dimer fluids based on local composition theory and using the analytic solution of the Percus-Yevick theory for monomers and RISM/MSA calculations for dimers. Comparison with Monte Carlo calculations for square-well molecules of lengths 4, 8, and 16 shows that there is very good agreement between this theory and simulation data.
Titel: |
Local composition model for square-well chains using the generalized flory dimer theory
|
---|---|
Autor/in / Beteiligte Person: | BOKIS, C. P ; DONOHUE, M. D ; HALL, C. K |
Link: | |
Zeitschrift: | Journal of physical chemistry (1952), Jg. 96 (1992), Heft 26, S. 11004-11009 |
Veröffentlichung: | Washington, DC: American Chemical Society, 1992 |
Medientyp: | academicJournal |
Umfang: | print, 23 ref |
ISSN: | 0022-3654 (print) |
Schlagwort: |
|
Sonstiges: |
|