dc.creatorDavila, Mara Veronica
dc.creatorPasinetti, Pedro Marcelo
dc.creatorNieto, Félix
dc.creatorRamirez Pastor, Antonio Jose
dc.date.accessioned2020-10-29T20:55:20Z
dc.date.accessioned2022-10-15T15:40:14Z
dc.date.available2020-10-29T20:55:20Z
dc.date.available2022-10-15T15:40:14Z
dc.date.created2020-10-29T20:55:20Z
dc.date.issued2007-11
dc.identifierDavila, Mara Veronica; Pasinetti, Pedro Marcelo; Nieto, Félix; Ramirez Pastor, Antonio Jose; Adsorption in one-dimensional channels arranged in a triangular structure: Theory and Monte Carlo simulations; Elsevier Science; Physica A: Statistical Mechanics and its Applications; 385; 1; 11-2007; 221-232
dc.identifier0378-4371
dc.identifierhttp://hdl.handle.net/11336/117208
dc.identifierCONICET Digital
dc.identifierCONICET
dc.identifier.urihttps://repositorioslatinoamericanos.uchile.cl/handle/2250/4404128
dc.description.abstractAdsorption thermodynamics of interacting particles adsorbed on one-dimensional channels arranged in a triangular cross-sectional structure is studied through Bragg-Williams approximation (BWA), Monte Carlo (MC) simulations and the recently reported Effective Substates approximation (ESA) [J.L. Riccardo, G. Zgrablich, W. A. Steele, Appl. Surf. Sci. 196 (2002) 138]. Two kinds of lateral interaction energies have been considered: (1) wL, interaction energy between nearest-neighbor particles adsorbed along a single channel and (2) wT, interaction energy between particles adsorbed across nearest-neighbor channels. We focus on the case of repulsive transversal interactions (wT > 0), for which a rich variety of ordered phases are observed in the adlayer, depending on the value of the parameters kB T / wT (being kB the Boltzmann constant) and wL / wT. Comparisons between analytical data and MC simulations are performed in order to test the validity of the theoretical models. Appreciable differences can be seen for the different approximations, ESA being the most accurate for all cases.
dc.languageeng
dc.publisherElsevier Science
dc.relationinfo:eu-repo/semantics/altIdentifier/doi/http://dx.doi.org/10.1016/j.physa.2007.06.003
dc.relationinfo:eu-repo/semantics/altIdentifier/url/https://www.sciencedirect.com/science/article/abs/pii/S0378437107006322
dc.rightshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/
dc.rightsinfo:eu-repo/semantics/restrictedAccess
dc.subjectADSORPTION ISOTHERMS
dc.subjectEQUILIBRIUM THERMODYNAMICS AND STATISTICAL MECHANICS
dc.subjectLATTICE-GAS MODELS
dc.subjectMONTE CARLO SIMULATIONS
dc.titleAdsorption in one-dimensional channels arranged in a triangular structure: Theory and Monte Carlo simulations
dc.typeinfo:eu-repo/semantics/article
dc.typeinfo:ar-repo/semantics/artículo
dc.typeinfo:eu-repo/semantics/publishedVersion


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