Publication: Positional ordering of hard adsorbate particles in tubular nanopores
Loading...
Identifiers
Publication date
2018-05-07
Defense date
Advisors
Tutors
Journal Title
Journal ISSN
Volume Title
Publisher
American Physical Society
Impact
Export
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.
Description
Keywords
Bibliographic citation
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.