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Positional ordering of hard adsorbate particles in tubular nanopores

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dc.affiliation.dptoUC3M. Departamento de Matemáticases
dc.affiliation.grupoinvUC3M. Grupo de Investigación: Interdisciplinar de Sistemas Complejos (GISC)es
dc.contributor.authorGurin, Peter
dc.contributor.authorVarga, Szabolcs
dc.contributor.authorMartínez-Ratón, Yuri
dc.contributor.authorVelasco, Enrique
dc.contributor.funderMinisterio de Economía y Competitividad (España)es
dc.date.accessioned2019-07-11T10:15:12Z
dc.date.available2019-07-11T10:15:12Z
dc.date.issued2018-05-07
dc.description.abstractThe phase behavior and structural properties of a monolayer of hard particles is examined in such a confinement where the adsorbed particles are constrained to the surface of a narrow hard cylindrical pore. The diameter of the pore is chosen such that only first- and second-neighbor interactions occur between the hard particles. The transfer operator method of [Percus and Zhang, Mol. Phys. 69, 347 (1990)] is reformulated to obtain information about the structure of the monolayer. We have found that a true phase transition is not possible in the examined range of pore diameters. The monolayer of hard spheres undergoes a structural change from fluidlike order to a zigzaglike solid one with increasing surface density. The case of hard cylinders is different in the sense that a layering takes place continuously between a low-density one-row and a high-density two-row monolayer. Our results reveal a clear discrepancy with classical density functional theories, which do not distinguish smecticlike ordering in bulk from that in narrow periodic pores.en
dc.description.sponsorshipP.G. and S.V. acknowledge the financial support of the National Research, Development, and Innovation Office (Grant No. NKFIH K124353). Financial support under Grants No. FIS2015-66523-P and No. FIS2013-47350-C5-1-R from Ministerio de Economía, Industria y Competitividad (MINECO) of Spain is acknowledged.en
dc.format.extent12
dc.identifier.bibliographicCitationGurin, P., Varga, S., Martínez-Ratón, Y. y Velasco, E. (2018). Positional ordering of hard adsorbate particles in tubular nanopores. Physical Review E, 97, 052606.en
dc.identifier.doihttps://doi.org/10.1103/PhysRevE.97.052606
dc.identifier.issn1539-3755
dc.identifier.publicationtitlePhysical Review Een
dc.identifier.publicationvolume97
dc.identifier.urihttps://hdl.handle.net/10016/28572
dc.identifier.uxxiAR/0000021546
dc.language.isoengen
dc.publisherAmerican Physical Societyen
dc.relation.projectIDGobierno de España. FIS2015-66523-P
dc.relation.projectIDGobierno de España. FIS2013-47350-C5-1-R
dc.rights© 2018 American Physical Society
dc.rights.accessRightsopen access
dc.subject.ecienciaMatemáticases
dc.titlePositional ordering of hard adsorbate particles in tubular nanoporesen
dc.typeresearch article*
dc.type.hasVersionVoR*
dspace.entity.typePublication
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