title: Lattice-gas model of nonadditive interacting particles on nanotube bundles.
abstract: In the present paper, the adsorption thermodynamics of a lattice-gas model which mimics a nanoporous environment is studied by considering nonadditive interactions between the adsorbed particles. It is assumed that the energy linking a certain atom with any of its nearest neighbors strongly depends on the state of occupancy in the first coordination sphere of such an adatom. By means of Monte Carlo (MC) simulations in the grand canonical ensemble, adsorption isotherms and differential heats of adsorption were calculated. Their striking behaviors were analyzed and discussed in terms of the low temperature phases formed in the system. Finally, the results obtained from MC simulations were compared with the corresponding ones from Bragg-Williams approximation.
authors.affiliation: Departamento de Física, Instituto de Física Aplicada (INFAP), Universidad Nacional de San Luis, CONICET, Chacabuco 917, D5700BWS, San Luis, Argentina.
authors.forename: O A
authors.initials: OA
authors.lastname: Pinto
authors.forename: P M
authors.initials: PM
authors.lastname: Pasinetti
authors.forename: F
authors.initials: F
authors.lastname: Nieto
authors.forename: A J
authors.initials: AJ
authors.lastname: Ramirez-Pastor
mesh_terms: D000327:Adsorption; D005740:Gases / Q000737:chemistry; D009010:Monte Carlo Method; D049329:Nanostructures / Q000737:chemistry*; D010316:Particle Size; D016062:Porosity; D013499:Surface Properties; D013816:Thermodynamics
chemical_list: D005740:Gases