The structure of adsorbed cyclic chains

Verfasser / Beitragende:
[Aleksander Kuriata, Andrzej Sikorski]
Ort, Verlag, Jahr:
2015
Enthalten in:
Journal of Molecular Modeling, 21/3(2015-03-01), 1-9
Format:
Artikel (online)
ID: 605511896
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024 7 0 |a 10.1007/s00894-015-2605-5  |2 doi 
035 |a (NATIONALLICENCE)springer-10.1007/s00894-015-2605-5 
245 0 4 |a The structure of adsorbed cyclic chains  |h [Elektronische Daten]  |c [Aleksander Kuriata, Andrzej Sikorski] 
520 3 |a In order to determine the structure of polymer films formed of cyclic chains (rings) we developed and studied a simple coarse-grained model. Our main goal was to check how the percolation and jamming thresholds in such a system were related to the thresholds obtained for linear flexible chains system, i.e., how the geometry of objects influenced both thresholds. All atomic details were suppressed and polymers were represented as a sequence of identical beads and the chains were embedded to a square lattice (a strictly 2D model). The system was athermal and the excluded volume was the only potential introduced. A random sequential adsorption algorithm was chosen to determine the properties of a polymer monolayer. It was shown that the percolation threshold of cyclic chains was considerably higher than those of linear flexible chains while the jamming thresholds for both chain architectures are very similar. The shape of adsorbed cyclic chains was found to be more prolate when compared to average single chain. 
540 |a Springer-Verlag Berlin Heidelberg, 2015 
690 7 |a Cyclic polymers  |2 nationallicence 
690 7 |a Jamming  |2 nationallicence 
690 7 |a Lattice models  |2 nationallicence 
690 7 |a Percolation  |2 nationallicence 
690 7 |a Random Sequential Adsorption  |2 nationallicence 
700 1 |a Kuriata  |D Aleksander  |u Department of Chemistry, University of Warsaw, Pasteura 1, 02-093, Warsaw, Poland  |4 aut 
700 1 |a Sikorski  |D Andrzej  |u Department of Chemistry, University of Warsaw, Pasteura 1, 02-093, Warsaw, Poland  |4 aut 
773 0 |t Journal of Molecular Modeling  |d Springer Berlin Heidelberg  |g 21/3(2015-03-01), 1-9  |x 1610-2940  |q 21:3<1  |1 2015  |2 21  |o 894 
856 4 0 |u https://doi.org/10.1007/s00894-015-2605-5  |q text/html  |z Onlinezugriff via DOI 
898 |a BK010053  |b XK010053  |c XK010000 
900 7 |a Metadata rights reserved  |b Springer special CC-BY-NC licence  |2 nationallicence 
908 |D 1  |a research-article  |2 jats 
949 |B NATIONALLICENCE  |F NATIONALLICENCE  |b NL-springer 
950 |B NATIONALLICENCE  |P 856  |E 40  |u https://doi.org/10.1007/s00894-015-2605-5  |q text/html  |z Onlinezugriff via DOI 
950 |B NATIONALLICENCE  |P 700  |E 1-  |a Kuriata  |D Aleksander  |u Department of Chemistry, University of Warsaw, Pasteura 1, 02-093, Warsaw, Poland  |4 aut 
950 |B NATIONALLICENCE  |P 700  |E 1-  |a Sikorski  |D Andrzej  |u Department of Chemistry, University of Warsaw, Pasteura 1, 02-093, Warsaw, Poland  |4 aut 
950 |B NATIONALLICENCE  |P 773  |E 0-  |t Journal of Molecular Modeling  |d Springer Berlin Heidelberg  |g 21/3(2015-03-01), 1-9  |x 1610-2940  |q 21:3<1  |1 2015  |2 21  |o 894