Lattice-gas model of nonadditive interacting particles on nanotubes bundles

dc.creatorPinto, Oscar Alejandro
dc.creatorPasinetti, Pedro Marcelo
dc.creatorNieto Quintas, Felix Daniel
dc.creatorRamirez Pastor, Antonio Jose
dc.date.accessioned2020-05-06T21:06:49Z
dc.date.accessioned2022-10-15T07:00:35Z
dc.date.available2020-05-06T21:06:49Z
dc.date.available2022-10-15T07:00:35Z
dc.date.created2020-05-06T21:06:49Z
dc.date.issued2011-02-08
dc.identifierPinto, Oscar Alejandro; Pasinetti, Pedro Marcelo; Nieto Quintas, Felix Daniel; Ramirez Pastor, Antonio Jose; Lattice-gas model of nonadditive interacting particles on nanotubes bundles; American Institute of Physics; Journal of Chemical Physics; 134; 64702; 8-2-2011; 1-8
dc.identifier0021-9606
dc.identifierhttp://hdl.handle.net/11336/104443
dc.identifier1089-7690
dc.identifierCONICET Digital
dc.identifierCONICET
dc.identifier.urihttps://repositorioslatinoamericanos.uchile.cl/handle/2250/4358049
dc.description.abstractIn 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.
dc.languageeng
dc.publisherAmerican Institute of Physics
dc.relationinfo:eu-repo/semantics/altIdentifier/url/https://aip.scitation.org/doi/10.1063/1.3530788
dc.relationinfo:eu-repo/semantics/altIdentifier/doi/http://dx.doi.org/10.1063/1.3530788
dc.rightshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/
dc.rightsinfo:eu-repo/semantics/openAccess
dc.subjectADSORBED LAYERS
dc.subjectMONTE CARLO METHODS
dc.subjectNANOTUBES
dc.subjectLATTICE GASES
dc.titleLattice-gas model of nonadditive interacting particles on nanotubes bundles
dc.typeinfo:eu-repo/semantics/article
dc.typeinfo:ar-repo/semantics/artículo
dc.typeinfo:eu-repo/semantics/publishedVersion


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