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Liquid-vapor interfaces of patchy colloids

2015-01-05Journal article Restricted access
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dc.contributor.authorOleksy, Anna
dc.contributor.authorTeixeira, Paulo
dc.date.accessioned2016-04-14T09:37:16Z
dc.date.available2016-04-14T09:37:16Z
dc.date.issued2015-01-05
dc.description.abstractWe investigate the liquid-vapor interface of a model of patchy colloids. This model consists of hard spheres decorated with short-ranged attractive sites ("patches") of different types on their surfaces. We focus on a one-component fluid with two patches of type A and nine patches of type B (2A9B colloids), which has been found to exhibit reentrant liquid-vapor coexistence curves and very low-density liquid phases. We have used the density-functional theory form of Wertheim's first-order perturbation theory of association, as implemented by Yu and Wu [J. Chem. Phys. 116, 7094 (2002)], to calculate the surface tension, and the density and degree of association profiles, at the liquid-vapor interface of our model. In reentrant systems, where AB bonds dominate, an unusual thickening of the interface is observed at low temperatures. Furthermore, the surface tension versus temperature curve reaches a maximum, in agreement with Bernardino and Telo da Gama's mesoscopic Landau-Safran theory [Phys. Rev. Lett. 109, 116103 (2012)]. If BB attractions are also present, competition between AB and BB bonds gradually restores the monotonic temperature dependence of the surface tension. Lastly, the interface is "hairy," i.e., it contains a region where the average chain length is close to that in the bulk liquid, but where the density is that of the vapor. Sufficiently strong BB attractions remove these features, and the system reverts to the behavior seen in atomic fluids.pt_PT
dc.identifier.citationOLEKSY, Anna; TEIXEIRA, Paulo Ivo Cortez - Liquid-vapor interfaces of patchy colloids. Physical Review E. ISSN 1539-3755. Vol. 91, N.º 1 (2015), pp. 012301-1-012301-7pt_PT
dc.identifier.doi10.1103/PhysRevE.91.012301pt_PT
dc.identifier.issn1539-3755
dc.identifier.issn1550-2376
dc.identifier.urihttp://hdl.handle.net/10400.21/5968
dc.language.isoengpt_PT
dc.peerreviewedyespt_PT
dc.publisherAmer Physical SOCpt_PT
dc.relation.ispartofseries;012301
dc.relation.publisherversionhttp://journals.aps.org/pre/abstract/10.1103/PhysRevE.91.012301pt_PT
dc.subjectDensity-functional theorypt_PT
dc.subjectDirectional attractive forcespt_PT
dc.subjectFundamental-measure-theorypt_PT
dc.subjectAssociating fluid theorypt_PT
dc.subjectMultiple bonding sitespt_PT
dc.subjectSaft-Dft approachpt_PT
dc.subjectPhase-equilibriapt_PT
dc.subjectChain moleculespt_PT
dc.subjectHard-wallpt_PT
dc.subjectMixturespt_PT
dc.titleLiquid-vapor interfaces of patchy colloidspt_PT
dc.typejournal article
dspace.entity.typePublication
oaire.citation.endPage012301-7
oaire.citation.issue1pt_PT
oaire.citation.startPage012301-1
oaire.citation.titlePhysical Review Ept_PT
oaire.citation.volume91pt_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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