Mesoscopic structure and swelling properties of crosslinked polyethylene glycol in water

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dc.authoridKacar, Gokhan/0000-0003-0359-3211
dc.authoridEsteves, Catarina/0000-0001-7614-5108
dc.authorwosidKAÇAR, Gökhan/Q-5128-2019
dc.authorwosidde With, G./E-3235-2014
dc.authorwosidEsteves, Catarina/E-2586-2014
dc.contributor.authorKacar, Gokhan
dc.contributor.authorAlbers, Peter T. M.
dc.contributor.authorEsteves, A. Catarina C.
dc.contributor.authorde With, Gijsbertus
dc.date.accessioned2024-06-12T11:03:28Z
dc.date.available2024-06-12T11:03:28Z
dc.date.issued2018
dc.departmentTrakya Üniversitesien_US
dc.description13th Coatings Science International Conference (COSI) -- JUN 26-30, 2017 -- Noordwijk, NETHERLANDSen_US
dc.description.abstractIn this paper, we present our efforts in modeling and simulation of polyethylene glycol crosslinked with an isocyanate tHDI. The polymer, by its nature, is hydrophilic and has strong hydrogen bond interactions with water. The simulations are performed at coarse-grained scale by using a dissipative particle dynamics (DPD) simulation method. The effect of hydrogen bond between water and polymer beads on the structure of the crosslinked hydrophilic polymer structure is studied. The polymer is observed to phase separate with water in the absence of hydrogen bonds in DPD simulations. In the reverse case, where hydrogen bonds are explicitly included in DPD simulations, polymer mixes with water. This behavior is investigated by plotting the density profiles. Moreover, the volumetric swelling behavior in mixtures with different water contents is estimated from simulations and extrapolated by a polynomial fit to compare with experiments. It is observed that the predicted swelling ratio is in good agreement with the experimental measurements.en_US
dc.description.sponsorshipDutch Polymer Institute (DPI) [780]; TUBITAK [2232, 116C003]en_US
dc.description.sponsorshipPart of this work is financially supported by Dutch Polymer Institute (DPI) under Project No. 780. G. Kacar extends thanks for the financial support of TUBITAK under 2232 program with Project No. 116C003.en_US
dc.identifier.doi10.1007/s11998-018-0065-4
dc.identifier.endpage701en_US
dc.identifier.issn1547-0091
dc.identifier.issn1935-3804
dc.identifier.issue4en_US
dc.identifier.scopus2-s2.0-85050387933en_US
dc.identifier.scopusqualityQ2en_US
dc.identifier.startpage691en_US
dc.identifier.urihttps://doi.org/10.1007/s11998-018-0065-4
dc.identifier.urihttps://hdl.handle.net/20.500.14551/21673
dc.identifier.volume15en_US
dc.identifier.wosWOS:000439757000004en_US
dc.identifier.wosqualityQ3en_US
dc.indekslendigikaynakWeb of Scienceen_US
dc.indekslendigikaynakScopusen_US
dc.language.isoenen_US
dc.publisherSpringeren_US
dc.relation.ispartofJournal Of Coatings Technology And Researchen_US
dc.relation.publicationcategoryKonferans Öğesi - Uluslararası - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/closedAccessen_US
dc.subjectHydrophilic Coatingsen_US
dc.subjectSelf-Replenishing Surfacesen_US
dc.subjectMolecular Simulationsen_US
dc.subjectDissipative Particle Dynamicsen_US
dc.subjectPolymer Swellingen_US
dc.subjectDynamicsen_US
dc.subjectSurfaceen_US
dc.subjectSimulationen_US
dc.subjectChainsen_US
dc.titleMesoscopic structure and swelling properties of crosslinked polyethylene glycol in wateren_US
dc.typeConference Objecten_US

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