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The condensation and ordering of models of empty liquids

2011-11-07Journal article Open access
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dc.contributor.authorAlmarza, N. G.
dc.contributor.authorTavares, Jose
dc.contributor.authorSimões, M.
dc.contributor.authorGama, Margarida
dc.date.accessioned2012-09-12T09:41:16Z
dc.date.available2012-09-12T09:41:16Z
dc.date.issued2011-11-07
dc.description.abstractWe consider a simple model consisting of particles with four bonding sites ("patches"), two of type A and two of type B, on the square lattice, and investigate its global phase behavior by simulations and theory. We set the interaction between B patches to zero and calculate the phase diagram as the ratio between the AB and the AA interactions, epsilon(AB)*, varies. In line with previous work, on three-dimensional off-lattice models, we show that the liquid-vapor phase diagram exhibits a re-entrant or "pinched" shape for the same range of epsilon(AB)*, suggesting that the ratio of the energy scales - and the corresponding empty fluid regime - is independent of the dimensionality of the system and of the lattice structure. In addition, the model exhibits an order-disorder transition that is ferromagnetic in the re-entrant regime. The use of low-dimensional lattice models allows the simulation of sufficiently large systems to establish the nature of the liquid-vapor critical points and to describe the structure of the liquid phase in the empty fluid regime, where the size of the "voids" increases as the temperature decreases. We have found that the liquid-vapor critical point is in the 2D Ising universality class, with a scaling region that decreases rapidly as the temperature decreases. The results of simulations and theoretical analysis suggest that the line of order-disorder transitions intersects the condensation line at a multi-critical point at zero temperature and density, for patchy particle models with a re-entrant, empty fluid, regime. (C) 2011 American Institute of Physics. [doi: 10.1063/1.3657406]por
dc.identifier.citationAlmarza N G, Tavares J M, Simões M, da Gama M M Telo. The condensation and ordering of models of empty liquids. Journal of Chemical Physics. 2011: 135 (17).por
dc.identifier.issn0021-9606
dc.identifier.urihttp://hdl.handle.net/10400.21/1781
dc.language.isoengpor
dc.peerreviewedyespor
dc.publisherAmer Inst Physicspor
dc.relation.ispartofseries;174903
dc.subjectCondensationpor
dc.subjectCritical Pointspor
dc.subjectCrystal Structurepor
dc.subjectFerromagnetic Materialspor
dc.subjectIsing Modelpor
dc.subjectOrder-Disorder Transformationspor
dc.subjectPhase Diagramspor
dc.subjectThermodynamicspor
dc.subjectDirectional Attractive Forcespor
dc.subjectMolecular-Size Distributionpor
dc.subjectCritical-Pointpor
dc.subjectIsing-Modelpor
dc.subjectFluidspor
dc.subjectSystemspor
dc.subjectUniversitypor
dc.subjectCoexistencepor
dc.subjectPolymerspor
dc.subjectLatticepor
dc.titleThe condensation and ordering of models of empty liquidspor
dc.typejournal article
dspace.entity.typePublication
oaire.citation.conferencePlaceNew Yorkpor
oaire.citation.issue17por
oaire.citation.titleJournal of Chemical Physicspor
oaire.citation.volume135por
person.familyNameTavares
person.familyNameTelo da Gama
person.givenNameJose
person.givenNameMargarida Maria
person.identifierhttps://scholar.google.pt/citations?user=OrsjRkYAAAAJ&hl=pt-PT
person.identifier.ciencia-id371D-51C6-975C
person.identifier.ciencia-idB811-A73C-181F
person.identifier.orcid0000-0002-1509-9707
person.identifier.ridA-2891-2009
person.identifier.scopus-author-id35621140500
person.identifier.scopus-author-id0000-0001-8849-9990
rcaap.rightsrestrictedAccesspor
rcaap.typearticlepor
relation.isAuthorOfPublication21fb8ec6-5b23-4df8-ba97-32256495d24d
relation.isAuthorOfPublication4fde2efd-f48f-4419-b383-74945fb2db28
relation.isAuthorOfPublication.latestForDiscovery4fde2efd-f48f-4419-b383-74945fb2db28

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