Michel, A. and Kreitmeier, Stefan (1997) Molecular dynamics simulation of the collapse of a single polymer chain. COMPUTATIONAL AND THEORETICAL POLYMER SCIENCE, 7 (2). pp. 113-120. ISSN 1089-3156
Full text not available from this repository.Abstract
By means of isothermal molecular dynamics simulations, the collapse-transition of a polyethylene-chain was investigated using a united-atom model starting from a perfectly aligned all-trans conformation. Various chain lengths, temperatures, initial velocity-distributions and van-der-Waals potentials were considered. Special emphasis was given to the kinetics of the collapse process. Kinetic laws, adjusted from theoretical concepts in the literature, were taken and applied to the change of the radius of gyration, S-N, in the course of the collapse. Scaling exponents were obtained. (C) 1998 Elsevier Science Ltd. All rights reserved.
| Item Type: | Article |
|---|---|
| Uncontrolled Keywords: | TO-COIL TRANSITION; QUANTITATIVE THEORY; MONTE-CARLO; POLYETHYLENE; GLOBULE; TEMPERATURE; CRYSTALS; RADIUS; POINT; computer simulation; single chain; collapse transition; kinetics |
| Subjects: | 500 Science > 530 Physics |
| Divisions: | Physics > Institute of Experimental and Applied Physics |
| Depositing User: | Dr. Gernot Deinzer |
| Date Deposited: | 24 May 2023 08:53 |
| Last Modified: | 24 May 2023 08:53 |
| URI: | https://pred.uni-regensburg.de/id/eprint/51138 |
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