Molecular dynamics simulations on the adsorption of 4-n-octyl-4-cyanobiphenyl (8CB) at the air/water interface

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dc.contributor.authorGurbulak, Oguz
dc.contributor.authorCebe, Emine
dc.date.accessioned2019-10-27T10:46:17Z
dc.date.available2019-10-27T10:46:17Z
dc.date.issued2018
dc.departmentEge Üniversitesien_US
dc.description.abstractThe influence of surface coverage to the structural properties of 4-n-octyl-4 '-cyanobiphenyl (8CB) monolayer at the air/water interface was studied by full atomistic molecular dynamics simulations. These properties include density profiles, interface thickness, monolayer width, orientational order parameters, and atom-pair radial distribution functions. The calculated tilt angles of the cyanobiphenyl and alkyl parts are in fairly good agreement with the experiments. The simulation results exhibit the general trends in the previous experimental and simulation data. [GRAPHICS] .en_US
dc.identifier.doi10.1080/01932691.2017.1380530
dc.identifier.endpage664en_US
dc.identifier.issn0193-2691
dc.identifier.issn1532-2351
dc.identifier.issn0193-2691en_US
dc.identifier.issn1532-2351en_US
dc.identifier.issue5en_US
dc.identifier.startpage655en_US
dc.identifier.urihttps://doi.org/10.1080/01932691.2017.1380530
dc.identifier.urihttps://hdl.handle.net/11454/31275
dc.identifier.volume39en_US
dc.identifier.wosWOS:000429335800004en_US
dc.identifier.wosqualityQ4en_US
dc.indekslendigikaynakWeb of Scienceen_US
dc.language.isoenen_US
dc.publisherTaylor & Francis Incen_US
dc.relation.ispartofJournal of Dispersion Science and Technologyen_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/closedAccessen_US
dc.subject8CBen_US
dc.subjectairen_US
dc.subjectwater interfaceen_US
dc.subjectLangmuir monolayersen_US
dc.subjectliquid crystalsen_US
dc.subjectmolecular dynamics simulationen_US
dc.titleMolecular dynamics simulations on the adsorption of 4-n-octyl-4-cyanobiphenyl (8CB) at the air/water interfaceen_US
dc.typeArticleen_US

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