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Polymerization and Structure of Opposing Polymer Brushes Studied by Computer Simulations

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dc.abstract.enA model of the polymerization process during the formation of a pair of polymer brushes was designed and investigated. The obtained system consisted of two impenetrable parallel surfaces with the same number of chains grafted on both surfaces. Coarse-grained chains embedded in nodes of a face-centered cubic lattice with excluded volume interactions were obtained by a ‘grafted from’ procedure. The structure of synthesized macromolecular systems was also studied. Monte Carlo simulations using the dynamic lattice liquid model were employed using dedicated parallel machine ARUZ in a large size and time scale. The parameters of the polymerization process were found to be crucial for the proper structure of the brush. It was found that for high grafting densities, chains were increasingly compressed, and there is surprisingly little interpenetration of chains from opposite surfaces. It was predicted and confirmed that in a polydisperse sample, the longer chains have unique configurations consisting of a stretched stem and a coiled crown.
dc.affiliationUniwersytet Warszawski
dc.contributor.authorHalagan, Krzysztof
dc.contributor.authorJung, Jaroslaw
dc.contributor.authorSikorski, Andrzej
dc.contributor.authorBanaszak, Michal
dc.contributor.authorPolanowski, Piotr
dc.date.accessioned2024-01-25T17:02:29Z
dc.date.available2024-01-25T17:02:29Z
dc.date.copyright2021-12-08
dc.date.issued2021
dc.description.accesstimeAT_PUBLICATION
dc.description.financePublikacja bezkosztowa
dc.description.number24
dc.description.versionFINAL_PUBLISHED
dc.description.volume13
dc.identifier.doi10.3390/POLYM13244294
dc.identifier.urihttps://repozytorium.uw.edu.pl//handle/item/116467
dc.identifier.weblinkhttps://www.mdpi.com/2073-4360/13/24/4294/pdf
dc.languageeng
dc.pbn.affiliationchemical sciences
dc.relation.ispartofPolymers
dc.relation.pagesart.no. 4294
dc.rightsCC-BY
dc.sciencecloudnosend
dc.subject.enDynamic lattice liquid model
dc.subject.enMonte Carlo method
dc.subject.enPolymer brushes
dc.subject.enPolymerization
dc.titlePolymerization and Structure of Opposing Polymer Brushes Studied by Computer Simulations
dc.typeJournalArticle
dspace.entity.typePublication