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Special issue on complex fluids at structured surfaces

dc.contributor.authorTeixeira, Paulo
dc.contributor.authorYeomans, J. M.
dc.date.accessioned2017-05-09T10:09:49Z
dc.date.available2017-05-09T10:09:49Z
dc.date.issued2017-05
dc.description.abstractIn this manuscript we extend Wertheim's two-density formalism beyond its first order to model a system of fluid molecules with a single association site close to a planar hard wall with association sites on its surface in a density functional theory framework. The association sites of the fluid molecules are small enough that they can form only one bond, while the wall association sites are large enough to bond with more than one fluid molecule. The effects of temperature and of bulk fluid and wall site densities on the fluid density profile, extent of association, and competition between single and double bonding of fluid segments at the wall sites versus distance from the wall are presented. The theory predictions are compared with new Monte Carlo simulation results and they are in good agreement. The theory captures the surface coverage over wide ranges of temperature and bulk density by introducing the effect of steric hindrance in fluid association at a wall site.pt_PT
dc.description.versioninfo:eu-repo/semantics/publishedVersionpt_PT
dc.identifier.citationTEIXEIRA, P.; YEOMANS, J. M. – Special issue on complex fluids at structured surfaces. Journal of Physics: Condensed Matter. ISSN 0953-8984. Vol. 29, N.º 18 (2017).pt_PT
dc.identifier.doi10.1088/1361-648X/aa6848pt_PT
dc.identifier.issn‎0953-8984
dc.identifier.issn1361-648X
dc.identifier.urihttp://hdl.handle.net/10400.21/6989
dc.language.isoengpt_PT
dc.peerreviewedyespt_PT
dc.publisherIOP Publishingpt_PT
dc.relation.publisherversionhttp://iopscience.iop.org/article/10.1088/1361-648X/aa6848/pdfpt_PT
dc.titleSpecial issue on complex fluids at structured surfacespt_PT
dc.typejournal article
dspace.entity.typePublication
oaire.citation.issue18pt_PT
oaire.citation.titleJournal of Physics: Condensed Matterpt_PT
oaire.citation.volume29pt_PT
person.familyNameTeixeira
person.givenNamePaulo
person.identifier.ciencia-idB31A-0CBD-8AC4
person.identifier.orcid0000-0003-2315-2261
person.identifier.ridA-2682-2009
person.identifier.scopus-author-id7005895098
rcaap.rightsclosedAccesspt_PT
rcaap.typearticlept_PT
relation.isAuthorOfPublication35a012c6-2e8b-402f-9b82-065843fce9aa
relation.isAuthorOfPublication.latestForDiscovery35a012c6-2e8b-402f-9b82-065843fce9aa

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