Adsorption of a single polymer chain on a surface: A molecular dynamics simulation study
We performed simulations of the physical adsorption of a single globular chain on a surface of hemispherical shape by means of molecular dynamics simulations. For the chain, we took advantage of a united atom model. Interactions within the chain were limited to stretching, bending, and torsional as...
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Published in | Journal of polymer science. Part B, Polymer physics Vol. 39; no. 20; pp. 2333 - 2339 |
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Main Authors | , |
Format | Journal Article |
Language | English |
Published |
New York
John Wiley & Sons, Inc
15.10.2001
Wiley |
Subjects | |
Online Access | Get full text |
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Summary: | We performed simulations of the physical adsorption of a single globular chain on a surface of hemispherical shape by means of molecular dynamics simulations. For the chain, we took advantage of a united atom model. Interactions within the chain were limited to stretching, bending, and torsional as well as nonbonded interactions between the nonadjacent atoms. The interaction between each chain element and the surface formation are reigned by a Lennard–Jones potential. In this article, we focused on differences in the behavior of the adsorbed globule to the free unadsorbed one particularly in two different zones of the immediate vicinity of the surface. There were strong indications for a localized acceleration of the dynamics as compared with the bulk that appears in an increase of trans–gauche switches. For explanation we came up with an adsorption scenario. Special attention was given to the shift of the percentage of trans and gauche conformations within the globule in dependence on the strength of the adsorption potential that might be related to crystallization or glass transition. © 2001 John Wiley & Sons, Inc. J Polym Sci Part B: Polym Phys 39: 2333–2339, 2001 |
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Bibliography: | istex:A7A34BABCCFDFAA73989AF248242E9A9629D3958 ark:/67375/WNG-NZTJJTLH-C ArticleID:POLB1205 March 2001 Meeting of the American Physical Society-Division of Polymer Physics, Seattle, WA |
ISSN: | 0887-6266 1099-0488 |
DOI: | 10.1002/polb.1205 |