Michel, A. and Goeritz, Dietmar and Kreitmeier, Stefan (2002) Molecular dynamics simulation study - Localization and multi-flip effects in a single polymer chain on a surface. KAUTSCHUK GUMMI KUNSTSTOFFE, 55 (9). pp. 447-453. ISSN 0022-9520
Full text not available from this repository.Abstract
We perform physical adsorption of a single globular chain on a surface of hemispherical shape by means of molecular dynamics. The surface is a smoothened spheric cap designed to imitate a small portion of the roughness of a filler particle like carbon black. For the chain we take advantage of a united atom model. Interactions within the chain are limited to stretching, bending and torsional as well as nonbonded interaction between nonadjacent atoms, The interaction between each chain element and the surface formation is reigned by a Lenard-Jones potential. In this paper we focus on the behavior of trans-gauche switch rates of torsion angles making a distinction between the immediate vicinity of the surface and the outer zone. The method and the model this investigation is dealing with indicates a localization of multi-flip process in this inner zone compared to the inner zone of a free unadsorbed globule even though these inner zones are in both cases immobilized compared to the outer zones.
| Item Type: | Article |
|---|---|
| Uncontrolled Keywords: | GLASS-TRANSITION; simulation; molecular dynamics; adsorption; hemispheric cap; polymer single chain; trans-gauche switches; localization; multi-flip process |
| Subjects: | 500 Science > 530 Physics |
| Divisions: | Physics > Institute of Experimental and Applied Physics > Alumni or Retired Professors > Group Dietmar Göritz |
| Depositing User: | Dr. Gernot Deinzer |
| Date Deposited: | 01 Sep 2021 11:12 |
| Last Modified: | 01 Sep 2021 11:12 |
| URI: | https://pred.uni-regensburg.de/id/eprint/39938 |
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