Threading of Unconcatenated Ring Polymers at High Concentrations: Double-Folded vs Time-Equilibrated Structures.
Journal
ACS macro letters
ISSN: 2161-1653
Titre abrégé: ACS Macro Lett
Pays: United States
ID NLM: 101574672
Informations de publication
Date de publication:
19 Feb 2019
19 Feb 2019
Historique:
received:
28
10
2018
accepted:
12
12
2018
entrez:
26
2
2019
pubmed:
26
2
2019
medline:
26
2
2019
Statut:
ppublish
Résumé
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.
Identifiants
pubmed: 30800531
doi: 10.1021/acsmacrolett.8b00828
pmc: PMC6383510
doi:
Types de publication
Journal Article
Langues
eng
Pagination
155-160Déclaration de conflit d'intérêts
The authors declare no competing financial interest.
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