Molecular and continuum perspectives on intermediate and flow reversal regimes in electroosmotic transport

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buir.contributor.authorÇetin, Barbaros
dc.citation.epage14035en_US
dc.citation.issueNumber22en_US
dc.citation.spage14024en_US
dc.citation.volumeNumber123en_US
dc.contributor.authorÇelebi, A. T.en_US
dc.contributor.authorÇetin, Barbarosen_US
dc.contributor.authorBeşkök, A.en_US
dc.date.accessioned2020-02-14T09:22:34Z
dc.date.available2020-02-14T09:22:34Z
dc.date.issued2019
dc.departmentDepartment of Mechanical Engineeringen_US
dc.description.abstractElectroosmotic slip flows in the Debye–Hückel regime were previously investigated using molecular dynamics and continuum transport perspectives ( J. Phys. Chem. C 2018, 122, 9699). This continuing work focuses on distinct electrostatic coupling regimes, where the variations in electroosmotic flows are elucidated based on Poisson–Fermi and Stokes equations and molecular dynamics simulations. In particular, aqueous NaCl solution in silicon nanochannels are considered under realistic electrochemical conditions, exhibiting intermediate flow and flow reversal regimes with increased surface charge density. Electroosmotic flow exhibits plug flow behavior in the bulk region for channel heights as small as 5 nm. With increased surface charge density, constant bulk electroosmotic flow velocity first increases and then it begins to gradually decrease until flow reversal is observed. In order to capture the flow physics and discrete motions within electric double layer accurately, the continuum model includes overscreening and crowding effects as well as slip contribution and local variations of enhanced viscosity. After extraction of the continuum parameters based on molecular dynamics simulations, good agreement between simulation results and continuum predictions are obtained for surface charges as large as −0.37 C/m2.en_US
dc.description.provenanceSubmitted by Zeynep Aykut (zeynepay@bilkent.edu.tr) on 2020-02-14T09:22:34Z No. of bitstreams: 1 Molecular_and_continuum_perspectives_on_intermediate_and_flow_reversal_regimes_in_electroosmotic_transport.pdf: 6790271 bytes, checksum: 379887c0611836bc8a15595973011543 (MD5)en
dc.description.provenanceMade available in DSpace on 2020-02-14T09:22:34Z (GMT). No. of bitstreams: 1 Molecular_and_continuum_perspectives_on_intermediate_and_flow_reversal_regimes_in_electroosmotic_transport.pdf: 6790271 bytes, checksum: 379887c0611836bc8a15595973011543 (MD5) Previous issue date: 2019en
dc.identifier.doi10.1021/acs.jpcc.9b02432en_US
dc.identifier.issn1932-7447
dc.identifier.urihttp://hdl.handle.net/11693/53356
dc.language.isoEnglishen_US
dc.publisherAmerican Chemical Societyen_US
dc.relation.isversionofhttps://dx.doi.org/10.1021/acs.jpcc.9b02432en_US
dc.source.titleJournal of Physical Chemistry Cen_US
dc.subjectElectrical propertiesen_US
dc.subjectIonsen_US
dc.subjectElectroosmosisen_US
dc.subjectSurface chargeen_US
dc.subjectViscosityen_US
dc.titleMolecular and continuum perspectives on intermediate and flow reversal regimes in electroosmotic transporten_US
dc.typeArticleen_US

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