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The structure and dynamics of bottlebrushes: Simulation and experimental studies combined

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cris.lastimport.scopus2024-02-12T19:53:00Z
dc.abstract.enBottlebrushes are complex macromolecular structures composed of polymer chains densely tethered to another polymer chain via a stable covalent bond linkage. Although numerous experimental techniques have been successfully applied for the characterization of bottlebrush polymers, some parameters still cannot be determined. Herein new simulation method using a dedicated machine was used to confront its applicability for complex macromolecules simulations. The bottlebrushes were synthesized by atom transfer radical polymerization (ATRP) with varied degree of polymerization (N) of the side chains, poly(methyl methacrylate) (PMMA). Poly(2-(2-bromoisobutyryloxy)ethyl methacrylate) (PBiBEM) was used as macroinitiator with a degree of polymerization Nbb = 102. Degree of polymerization of side chains (Nsc) changed from 28 to 113. The bottlebrushes were characterized by Gel Permeation Chromatography – Multiangle Laser Light Scattering (GPC-MALLS), Pulsed-field Gradient Spin Echo Nuclear Magnetic Resonance (PGSE NMR), and combined Static and Dynamic Light Scattering methods (SLS-DLS). A novel calculation strategy via the Monte Carlo-class Dynamic Lattice Liquid (DLL) algorithm executed on a dedicated machine ARUZ was applied for theoretical studies. The experimental values concerning the scaling behavior of polymer size and dynamics were compared and confronted with simulation results.
dc.affiliationUniwersytet Warszawski
dc.contributor.authorSikorski, Andrzej
dc.contributor.authorJurga, Stefan
dc.contributor.authorPietrasik, Joanna
dc.contributor.authorJung, Jarosław
dc.contributor.authorSzutkowski, Kosma
dc.contributor.authorMaczugowska, Paulina
dc.contributor.authorKadłubowski, Sławomir
dc.contributor.authorHałagan, Krzysztof
dc.contributor.authorRaj, Wojciech
dc.date.accessioned2024-01-26T10:48:44Z
dc.date.available2024-01-26T10:48:44Z
dc.date.copyright2022-10-11
dc.date.issued2022
dc.description.accesstimeAT_PUBLICATION
dc.description.financePublikacja bezkosztowa
dc.description.versionFINAL_PUBLISHED
dc.description.volume261
dc.identifier.doi10.1016/J.POLYMER.2022.125409
dc.identifier.issn0032-3861
dc.identifier.urihttps://repozytorium.uw.edu.pl//handle/item/123195
dc.identifier.weblinkhttps://api.elsevier.com/content/article/PII:S0032386122008977?httpAccept=text/xml
dc.languageeng
dc.pbn.affiliationchemical sciences
dc.relation.ispartofPolymer
dc.relation.pages125409
dc.rightsCC-BY
dc.sciencecloudnosend
dc.subject.enBottlebrushes
dc.subject.enComputer simulation
dc.subject.enDynamic lattice liquid
dc.subject.enDynamic properties
dc.subject.enStatic properties
dc.titleThe structure and dynamics of bottlebrushes: Simulation and experimental studies combined
dc.typeJournalArticle
dspace.entity.typePublication