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Re-entrant phase behaviour of network fluids: A patchy particle model with temperature-dependent valence

2011-06-21Journal article Open access
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dc.contributor.authorRusso, J.
dc.contributor.authorTavares, Jose
dc.contributor.authorTeixeira, Paulo
dc.contributor.authorGama, Margarida
dc.contributor.authorSCIORTINO, Francesco
dc.date.accessioned2013-02-16T17:59:04Z
dc.date.available2013-02-16T17:59:04Z
dc.date.issued2011-06-21
dc.description.abstractWe study a model consisting of particles with dissimilar bonding sites ("patches"), which exhibits self-assembly into chains connected by Y-junctions, and investigate its phase behaviour by both simulations and theory. We show that, as the energy cost epsilon(j) of forming Y-junctions increases, the extent of the liquid-vapour coexistence region at lower temperatures and densities is reduced. The phase diagram thus acquires a characteristic "pinched" shape in which the liquid branch density decreases as the temperature is lowered. To our knowledge, this is the first model in which the predicted topological phase transition between a fluid composed of short chains and a fluid rich in Y-junctions is actually observed. Above a certain threshold for epsilon(j), condensation ceases to exist because the entropy gain of forming Y-junctions can no longer offset their energy cost. We also show that the properties of these phase diagrams can be understood in terms of a temperature-dependent effective valence of the patchy particles. (C) 2011 American Institute of Physics. [doi: 10.1063/1.3605703]por
dc.identifier.citationRUSSO, J.; TAVARES, J. M.; TEIXEIRA, P. I. C.; TELO DA GAMA, M. M.; SCIORTINO, F. - Re-entrant phase behaviour of network fluids: A patchy particle model with temperature-dependent valence. Journal of Chemical Physics. ISSN 0021-9606. Vol. 135, n.º 3 (2011).por
dc.identifier.issn0021-9606
dc.identifier.urihttp://hdl.handle.net/10400.21/2233
dc.language.isoengpor
dc.peerreviewedyespor
dc.publisherAmer Inst Physicspor
dc.relation.ispartofseries;034501
dc.subjectDipolar Hard-Spherespor
dc.subjectDirectional Attractive Forcespor
dc.subjectMonte-Carlopor
dc.subjectThermodynamicspor
dc.subjectCoexistencepor
dc.subjectSeparationpor
dc.subjectColloidspor
dc.subjectClusterspor
dc.subjectLiquidspor
dc.subjectSystemspor
dc.titleRe-entrant phase behaviour of network fluids: A patchy particle model with temperature-dependent valencepor
dc.typejournal article
dspace.entity.typePublication
oaire.citation.conferencePlaceMelvillepor
oaire.citation.issue3por
oaire.citation.titleJournal of Chemical Physicspor
oaire.citation.volume135por
person.familyNameTavares
person.familyNameTeixeira
person.familyNameTelo da Gama
person.familyNameSCIORTINO
person.givenNameJose
person.givenNamePaulo
person.givenNameMargarida Maria
person.givenNameFrancesco
person.identifierhttps://scholar.google.pt/citations?user=OrsjRkYAAAAJ&hl=pt-PT
person.identifier.ciencia-id371D-51C6-975C
person.identifier.ciencia-idB31A-0CBD-8AC4
person.identifier.ciencia-idB811-A73C-181F
person.identifier.orcid0000-0002-1509-9707
person.identifier.orcid0000-0003-2315-2261
person.identifier.orcid0000-0002-2418-2713
person.identifier.ridA-2891-2009
person.identifier.ridA-2682-2009
person.identifier.scopus-author-id35621140500
person.identifier.scopus-author-id7005895098
person.identifier.scopus-author-id0000-0001-8849-9990
person.identifier.scopus-author-id7005775345
rcaap.rightsrestrictedAccesspor
rcaap.typearticlepor
relation.isAuthorOfPublication21fb8ec6-5b23-4df8-ba97-32256495d24d
relation.isAuthorOfPublication35a012c6-2e8b-402f-9b82-065843fce9aa
relation.isAuthorOfPublication4fde2efd-f48f-4419-b383-74945fb2db28
relation.isAuthorOfPublication93c349ba-3823-4ecd-849d-be1538627a33
relation.isAuthorOfPublication.latestForDiscovery21fb8ec6-5b23-4df8-ba97-32256495d24d

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