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The structure of polymer brushes: the transition from dilute to dense systems: a computer simulation study

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dc.abstract.enMonodisperse polymer brushes were studied by means of Monte Carlo simulations. A coarse-grained model of a polymer brush was designed and the Cooperative Motion Algorithm was employed to model the polymerization process 'grafted from' and to study the structure of a brush immersed in a good solvent. The structure of brushes was determined as a function of the chain length and the grafting density. The influence of these parameters on the scaling properties of the brush was presented and discussed. A thorough analysis of the distribution of concentrations of the polymer segments and the distribution of chain free ends was also carried out. The analysis of the depth of penetration of the low molecular weight solvent into the brush area showed that the main factor determining the penetration is the grafting density. Good agreement between the simulation results and theoretical predictions is observed, especially for longer chains and higher grafting density. The origin of small quantitative differences between the simulation and theoretical results is discussed.
dc.affiliationUniwersytet Warszawski
dc.contributor.authorSikorski, Andrzej
dc.contributor.authorPolanowski, Piotr
dc.date.accessioned2024-01-26T10:48:44Z
dc.date.available2024-01-26T10:48:44Z
dc.date.issued2021
dc.description.financePublikacja bezkosztowa
dc.description.number46
dc.description.volume17
dc.identifier.doi10.1039/D1SM01306H
dc.identifier.issn1744-683X
dc.identifier.urihttps://repozytorium.uw.edu.pl//handle/item/123197
dc.identifier.weblinkhttp://pubs.rsc.org/en/content/articlepdf/2021/SM/D1SM01306H
dc.languageeng
dc.pbn.affiliationchemical sciences
dc.relation.ispartofSoft Matter
dc.relation.pages10516-10526
dc.rightsClosedAccess
dc.sciencecloudnosend
dc.titleThe structure of polymer brushes: the transition from dilute to dense systems: a computer simulation study
dc.typeJournalArticle
dspace.entity.typePublication