Please use this identifier to cite or link to this item: https://hdl.handle.net/11147/7662
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dc.contributor.authorÇelebi, Alper Tunga-
dc.contributor.authorBarışık, Murat-
dc.contributor.authorBeşkök, Ali-
dc.date.accessioned2020-02-05T11:18:58Z
dc.date.available2020-02-05T11:18:58Z
dc.date.issued2018-01en_US
dc.identifier.citationÇelebi, A. T., Barışık, M., and Beşkök, A. (2018). Surface charge-dependent transport of water in graphene nano-channels. Microfluidics and Nanofluidics, 22(1). doi:10.1007/s10404-017-2027-zen_US
dc.identifier.issn1613-4982
dc.identifier.issn1613-4982-
dc.identifier.issn16134990-
dc.identifier.urihttps://doi.org/10.1007/s10404-017-2027-z
dc.identifier.urihttps://hdl.handle.net/11147/7662
dc.description.abstractDeionized water flow through positively charged graphene nano-channels is investigated using molecular dynamics simulations as a function of the surface charge density. Due to the net electric charge, Ewald summation algorithm cannot be used for modeling long-range Coulomb interactions. Instead, the cutoff distance used for Coulomb forces is systematically increased until the density distribution and orientation of water atoms converged to a unified profile. Liquid density near the walls increases with increased surface charge density, and the water molecules reorient their dipoles with oxygen atoms facing the positively charged surfaces. This effect weakens away from the charged surfaces. Force-driven water flows in graphene nano-channels exhibit slip lengths over 60 nm, which result in plug-like velocity profiles in sufficiently small nano-channels. With increased surface charge density, the slip length decreases and the apparent viscosity of water increases, leading to parabolic velocity profiles and decreased flow rates. Results of this study are relevant for water desalination applications, where optimization of the surface charge for ion removal with maximum flow rate is desired.en_US
dc.language.isoenen_US
dc.publisherSpringer Verlagen_US
dc.relation.ispartofMicrofluidics and Nanofluidicsen_US
dc.rightsinfo:eu-repo/semantics/openAccessen_US
dc.subjectDeionized wateren_US
dc.subjectMolecular dynamics simulationsen_US
dc.subjectSlip lengthen_US
dc.subjectSurface charge densityen_US
dc.subjectViscosityen_US
dc.titleSurface charge-dependent transport of water in graphene nano-channelsen_US
dc.typeArticleen_US
dc.authorid0000-0002-2413-1991en_US
dc.institutionauthorBarışık, Murat-
dc.departmentİzmir Institute of Technology. Mechanical Engineeringen_US
dc.identifier.volume22en_US
dc.identifier.issue1en_US
dc.identifier.wosWOS:000423122800001en_US
dc.identifier.scopus2-s2.0-85042868206en_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.identifier.doi10.1007/s10404-017-2027-z-
dc.relation.doi10.1007/s10404-017-2027-zen_US
dc.coverage.doi10.1007/s10404-017-2027-zen_US
dc.identifier.wosqualityQ2-
dc.identifier.scopusqualityQ2-
dc.identifier.wosqualityttpTop10%en_US
item.openairetypeArticle-
item.fulltextWith Fulltext-
item.openairecristypehttp://purl.org/coar/resource_type/c_18cf-
item.grantfulltextopen-
item.cerifentitytypePublications-
item.languageiso639-1en-
crisitem.author.dept03.10. Department of Mechanical Engineering-
Appears in Collections:Mechanical Engineering / Makina Mühendisliği
Scopus İndeksli Yayınlar Koleksiyonu / Scopus Indexed Publications Collection
WoS İndeksli Yayınlar Koleksiyonu / WoS Indexed Publications Collection
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