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dc.contributor.authorAvaz, Senem
dc.contributor.authorOğuz, Oğuzhan
dc.contributor.authorKurt, Hasan
dc.contributor.authorMenceloğlu, Yusuf Ziya
dc.contributor.authorAtılgan, Canan
dc.date.accessioned10.07.201910:49:13
dc.date.accessioned2019-07-10T19:51:33Z
dc.date.available10.07.201910:49:13
dc.date.available2019-07-10T19:51:33Z
dc.date.issued2017en_US
dc.identifier.citationAvaz, S., Oğuz, O., Kurt, H., Menceloğlu, Y. Z. ve Atılgan, C. (2017). Soft segment length controls morphology of poly(ethylene oxide) based segmented poly(urethane-urea) copolymers in a binary solvent. Computational Materials Science, 138, 58-69. https://dx.doi.org/10.1016/j.commatsci.2017.06.018en_US
dc.identifier.issn0927-0256
dc.identifier.issn1879-0801
dc.identifier.urihttps://dx.doi.org/10.1016/j.commatsci.2017.06.018
dc.identifier.urihttps://hdl.handle.net/20.500.12511/2237
dc.descriptionWOS: 000410617000008en_US
dc.description.abstractIt is known that morphology and structure-property behavior of poly(ethylene oxide) (PEO) based poly (urethane-urea) copolymers are affected by soft segment (SS) chain length. Here, a multi-scale computational study is carried out to determine the origins of this behavior, supported by atomic force microscopy (AFM) imaging. First, single PEO chains of varying lengths are comparatively examined by molecular dynamics and dissipative particle dynamics (DPD) simulations in THF: DMF solvent mixture to verify that the coarse graining strategy is applicable to the system at hand. In the second step, hard segment (HS) beads are attached to PEO chains to study their effect on the overall morphology. We find that the critical chain length of PEO plays a key role on the structure-property behavior of these copolymers. Density fields obtained from DPD calculations reveal a stable channel formation by SS beads in the copolymers if their length is below a threshold value. HS-SS interactions drive this behavior by promoting phase mixing. The role of the binary solvent is essential as the channel-like structures are not stable in the pure solvents. In contrast, for chains having long enough PEO segments, spontaneous clustering of the PEO units controls morphology development. This behavior gives rise to the formation of globular SS clusters surrounded by HS units. The dual solvent acts as a lubricant, with THF preferring the PEO clusters. Results obtained from DPD studies are corroborated by AFM images obtained for the corresponding copolymers. The strategy employed lays the foundations for developing systems having novel morphologies and macroscopic-properties using designs based on HS-SS cooligomers.en_US
dc.language.isoengen_US
dc.publisherElsevier Science Bv.en_US
dc.rightsinfo:eu-repo/semantics/embargoedAccessen_US
dc.subjectThermoplastic Polyurethanesen_US
dc.subjectMolecular Dynamicsen_US
dc.subjectDissipative Particle Dynamicsen_US
dc.subjectReverse Mappingen_US
dc.subjectAFMen_US
dc.titleSoft segment length controls morphology of poly(ethylene oxide) based segmented poly(urethane-urea) copolymers in a binary solventen_US
dc.typearticleen_US
dc.relation.journalComputational Materials Scienceen_US
dc.departmentİstanbul Medipol Üniversitesi, Mühendislik ve Doğa Bilimleri Fakültesi, Biyomedikal Mühendisliği Bölümüen_US
dc.authorid0000-0002-1677-644Xen_US
dc.identifier.volume138en_US
dc.identifier.startpage58en_US
dc.identifier.endpage69en_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.identifier.doi10.1016/j.commatsci.2017.06.018en_US


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