Publication: Positional ordering of hard adsorbate particles in tubular nanopores
dc.affiliation.dpto | UC3M. Departamento de Matemáticas | es |
dc.affiliation.grupoinv | UC3M. Grupo de Investigación: Interdisciplinar de Sistemas Complejos (GISC) | es |
dc.contributor.author | Gurin, Peter | |
dc.contributor.author | Varga, Szabolcs | |
dc.contributor.author | Martínez-Ratón, Yuri | |
dc.contributor.author | Velasco, Enrique | |
dc.contributor.funder | Ministerio de Economía y Competitividad (España) | es |
dc.date.accessioned | 2019-07-11T10:15:12Z | |
dc.date.available | 2019-07-11T10:15:12Z | |
dc.date.issued | 2018-05-07 | |
dc.description.abstract | The 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.sponsorship | P.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.extent | 12 | |
dc.identifier.bibliographicCitation | Gurin, 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.doi | https://doi.org/10.1103/PhysRevE.97.052606 | |
dc.identifier.issn | 1539-3755 | |
dc.identifier.publicationtitle | Physical Review E | en |
dc.identifier.publicationvolume | 97 | |
dc.identifier.uri | https://hdl.handle.net/10016/28572 | |
dc.identifier.uxxi | AR/0000021546 | |
dc.language.iso | eng | en |
dc.publisher | American Physical Society | en |
dc.relation.projectID | Gobierno de España. FIS2015-66523-P | |
dc.relation.projectID | Gobierno de España. FIS2013-47350-C5-1-R | |
dc.rights | © 2018 American Physical Society | |
dc.rights.accessRights | open access | |
dc.subject.eciencia | Matemáticas | es |
dc.title | Positional ordering of hard adsorbate particles in tubular nanopores | en |
dc.type | research article | * |
dc.type.hasVersion | VoR | * |
dspace.entity.type | Publication |
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