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Microphase separation of phenylene oligomers with polymeric side chains: a dissipative particle dynamics study

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dc.contributor.coauthorYildirim, Erol
dc.contributor.coauthorYurtsever, Mine
dc.contributor.coauthorKenarli, Burcu
dc.contributor.departmentDepartment of Chemistry
dc.contributor.kuauthorDemirel, Adem Levent
dc.contributor.schoolcollegeinstituteCollege of Sciences
dc.date.accessioned2024-11-09T23:29:56Z
dc.date.issued2011
dc.description.abstractThe microphase-separated morphologies of p-phenylene oligomers with POx, PCL, PS, and PEO side chains are studied using DPD simulations. It is shown that the microphase-separated morphologies depend significantly on the degree of chemical incompatibility between the components as indicated by the Flory-Huggins interaction parameters. The good agreement of the microphase separated morphologies as simulated by DPD with the experimentally determined thin film morphologies suggests that DPD can produce convincing morphological information at the nanoscale. The results show that grafting of polymeric side chains can be an important tool to control the morphology of polymers with a rigid backbone.
dc.description.indexedbyWOS
dc.description.indexedbyScopus
dc.description.issue5
dc.description.openaccessNO
dc.description.publisherscopeInternational
dc.description.sponsoredbyTubitakEuN/A
dc.description.sponsorshipTUBITAK [107T043] The financial support from TUBITAK (Project No: 107T043), ITU-nanoproject, ITU research fund, and the computer time provided by ITU National High Performance Computing Center and TUBITAK TR-Grid are greatly acknowledged.
dc.description.volume20
dc.identifier.doi10.1002/mats.201000100
dc.identifier.eissn1521-3919
dc.identifier.issn1022-1344
dc.identifier.scopus2-s2.0-79959839519
dc.identifier.urihttps://doi.org/10.1002/mats.201000100
dc.identifier.urihttps://hdl.handle.net/20.500.14288/12151
dc.identifier.wos292139500004
dc.keywordsDissipative particle dynamics
dc.keywordsMorphology
dc.keywordsPhase separation
dc.keywordsPoly (paraphenylene)s molecular-dynamics
dc.keywordsBlock-copolymers
dc.keywordsConjugated segment
dc.keywordsSimulation
dc.keywordsPoly (p-phenylene)s
dc.keywordsPoly (epsilon-caprolactone)
dc.keywordsOrganization
dc.keywordsMechanics
dc.keywordsBehavior
dc.language.isoeng
dc.publisherWiley-V C H Verlag Gmbh
dc.relation.ispartofMacromolecular Theory and Simulations
dc.subjectPolymer science
dc.titleMicrophase separation of phenylene oligomers with polymeric side chains: a dissipative particle dynamics study
dc.typeJournal Article
dspace.entity.typePublication
local.contributor.kuauthorDemirel, Adem Levent
local.publication.orgunit1College of Sciences
local.publication.orgunit2Department of Chemistry
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relation.isOrgUnitOfPublication.latestForDiscovery035d8150-86c9-4107-af16-a6f0a4d538eb
relation.isParentOrgUnitOfPublicationaf0395b0-7219-4165-a909-7016fa30932d
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