Complexity of entanglements and degree of folding in branched polymers with excluded-volume interaction
- Laurentian Univ., Ontario (Canada)
A methodology to characterize large-scale shape of macromolecular conformations is generalized and applied to a simple model of branched polymers. The standard global analysis of polymer configurations uses geometric shape descriptors, such as the mean radius of gyration. However, geometric descriptors alone do not depict well the intrincate folding features found in many macromolecules. For a more complete characterization, the authors employ here a new class of shape descriptors which convey the degree and complexity of the {open_quotes}entanglements{close_quotes} in a branched chain. Recently, the methodology has been applied to study statistical properties of linear polymer chains. In the present work, the authors extend the technique to branched polymers and analyze the configurational and long-chain behavior of their entanglement descriptors. A family of {open_quotes}stars{close_quotes} (polymers with a single branchpoint) with excluded volume interaction is studied, and the results are contrasted with those for linear chains. The relation between changes in geometric and shape descriptors within the polymer conformational space is presented. The complexity of entanglements for large chains and large stars are compared. The results suggest a similar scaling behavior of the entanglement descriptors for the two polymer architectures.
- OSTI ID:
- 107064
- Report Number(s):
- CONF-9402143-; TRN: 95:006488-0038
- Resource Relation:
- Conference: Atomic, molecular, and condensed matter theory and computational methods, Ponte Vedra Beach, FL (United States), 12-19 Feb 1994; Other Information: PBD: 1994; Related Information: Is Part Of Proceedings of the international symposium on atomic, molecular and condensed matter theory and computational methods; Loewdin, P.O.; Oehrn, N.Y.; Sabin, J.R.; Zerner, M.C. [eds.] [Florida Univ., Gainesville, FL (United States)]; PB: 714 p.
- Country of Publication:
- United States
- Language:
- English
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