Analyzing the Molecular Kinetics of Water Spreading on Hydrophobic Surfaces via Molecular Dynamics Simulation

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dc.contributor.authorZhao, Leien
dc.contributor.authorCheng, Jiangtaoen
dc.contributor.departmentMechanical Engineeringen
dc.date.accessioned2019-01-04T15:46:39Zen
dc.date.available2019-01-04T15:46:39Zen
dc.date.issued2017-09-07en
dc.description.abstractIn this paper, we report molecular kinetic analyses of water spreading on hydrophobic surfaces via molecular dynamics simulation. The hydrophobic surfaces are composed of amorphous polytetrafluoroethylene (PTFE) with a static contact angle of similar to 112.4 degrees for water. On the basis of the molecular kinetic theory (MKT), the influences of both viscous damping and solid-liquid retarding were analyzed in evaluating contact line friction, which characterizes the frictional force on the contact line. The unit displacement length on PTFE was estimated to be similar to 0.621 nm and is similar to 4 times as long as the bond length of C-C backbone. The static friction coefficient was found to be similar to 10(-3) Pa.s, which is on the same order of magnitude as the dynamic viscosity of water, and increases with the droplet size. A nondimensional number defined by the ratio of the standard deviation of wetting velocity to the characteristic wetting velocity was put forward to signify the strength of the inherent contact line fluctuation and unveil the mechanism of enhanced energy dissipation in nanoscale, whereas such effect would become insignificant in macroscale. Moreover, regarding a liquid droplet on hydrophobic or superhydrophobic surfaces, an approximate solution to the base radius development was derived by an asymptotic expansion approach.en
dc.description.notesThis work is financially supported by NSF CBET under grant number 1550299 and Institute for Critical Technology and Applied Science (ICTAS) at Virginia Tech. The authors also acknowledge Advanced Research Computing at Virginia Tech (http://www.arc.vt.edu) for providing computational resources and technical support that have contributed to the results reported within this paper.en
dc.description.sponsorshipNSF CBET [1550299]; Institute for Critical Technology and Applied Science (ICTAS) at Virginia Techen
dc.format.extent12en
dc.format.mimetypeapplication/pdfen
dc.identifier.doihttps://doi.org/10.1038/s41598-017-11350-6en
dc.identifier.issn2045-2322en
dc.identifier.other10880en
dc.identifier.pmid28883662en
dc.identifier.urihttp://hdl.handle.net/10919/86603en
dc.identifier.volume7en
dc.language.isoen_USen
dc.publisherSpringer Natureen
dc.rightsCreative Commons Attribution 4.0 Internationalen
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/en
dc.subjectcontact-angle relaxationen
dc.subjectwetting dynamicsen
dc.subjectforce-fielden
dc.subjectliquiden
dc.subjectlineen
dc.subjectcondensationen
dc.subjectdisplacementen
dc.subjecttransitionsen
dc.subjectmorphologyen
dc.subjectnanoscaleen
dc.titleAnalyzing the Molecular Kinetics of Water Spreading on Hydrophobic Surfaces via Molecular Dynamics Simulationen
dc.title.serialScientific Reportsen
dc.typeArticle - Refereeden
dc.type.dcmitypeTexten

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