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Dynamics of polymer chains in confined space. A computer simulation study
Affiliation:1. Université de Tunis El Manar, Faculté des Sciences de Tunis, Laboratoire de Physique de la Matière Molle et de la Modélisation Electromagnétique, 2092 Tunis, Tunisie;2. Université de Carthage, Institut National des Sciences Appliquées et de Technologie, Centre Urbain Nord, BP. 676, Tunis, Tunisie;1. Department of Chemical Technology, Warsaw University of Technology, ul. Noakowskiego 3, 00-664 Warsaw, Poland;2. Institute of High Pressure Physics, Polish Academy of Sciences, ul. Sokołowska 29/37, 01-142 Warsaw, Poland;1. Department of Mathematical and Informatics Sciences, Physical Sciences and Earth Sciences, University of Messina, Viale D''Alcontres 31, 98166 Messina, Italy;2. European Spallation Source ERIC, P.O. BOX 176, 22100 Lund, Sweden;3. HAS Wigner Researh Center, P.O. BOX 49, 1525 Budapest, Hungary;4. Institut-Laue-Langevin, BP 156, 38042 Grenoble Cedex 9, France;5. Oak Ridge National Laboratory, P.O. Box 2008, Oak Ridge, TN 37831, USA;6. Helmholtz-Zentrum-Berlin, Glienicker Str 100, 14109 Berlin, Germany;7. Department of Chemical, Biological, Pharmaceutical and Environmental Sciences, University of Messina, Viale D''Alcontres 31, 98166 Messina, Italy;8. Institute for Integrative Biology of the Cell (I2BC), CEA-CNRS-Université Paris Sud, 91400 Orsay, France
Abstract:We studied the properties of simple models of star-branched polymer chains confined in a slit. The chains were constructed of united atoms (segments) and were restricted to vertices of a simple cubic lattice. We modeled good solvent conditions and thus the chains interacted with the excluded volume only. The macromolecules were put between two parallel and impenetrable surfaces and the surfaces were attractive for polymer segments. The properties of the model chains were determined by means of Monte Carlo simulations with a sampling algorithm based on chain's local changes of conformation. The differences and similarities in the structure for different adsorption regimes and the size of the slit were shown and discussed. The dependence of the short- and long-time scale dynamic behavior of chains on these factors was determined.
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