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Threading of Unconcatenated Ring Polymers at High Concentrations: Double-Folded vs Time-Equilibrated Structures

Smrek, Jan
•
Kurt Kremer
•
Angelo Rosa
2019
  • journal article

Periodico
ACS MACRO LETTERS
Abstract
Unconcatenated ring polymers in concentrated solutions and melt are remarkably well described as double-folded conformations on randomly branched primitive trees. This picture though contrasts recent evidence for extensive intermingling between close-by rings in the form of long-lived topological constraints or threadings. Here, we employ the concept of ring minimal surface to quantify the extent of threadings in polymer solutions of the double-folded rings vs rings in equilibrated molecular dynamics computer simulations. Our results show that the double-folded ring polymers are significantly less threaded compared to their counterparts at equilibrium. Second, threadings form through a slow process whose characteristic time-scale is of the same order of magnitude as that of the diffusion of the rings in solution. These findings are robust, being based on universal (model-independent) observables as the average fraction of threaded length or the total penetrations between close-by rings and the corresponding distribution functions.
DOI
10.1021/acsmacrolett.8b00828
WOS
WOS:000459948600012
Archivio
http://hdl.handle.net/20.500.11767/86414
info:eu-repo/semantics/altIdentifier/scopus/2-s2.0-85062064886
https://doi.org/10.1021/acsmacrolett.8b00828
Diritti
open access
Soggetti
  • Settore FIS/03 - Fisi...

Web of Science© citazioni
55
Data di acquisizione
Mar 28, 2024
Visualizzazioni
1
Data di acquisizione
Apr 19, 2024
Vedi dettagli
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