Structure and anomalous solubility for hard spheres in an associating lattice gas model

dc.creatorSzortyka, Marcia M.
dc.creatorGirardi, Mauricio
dc.creatorHenriques, Vera Bohomoletz
dc.creatorBarbosa, Marcia C.
dc.date.accessioned2013-10-02T17:12:09Z
dc.date.accessioned2018-07-04T16:16:06Z
dc.date.available2013-10-02T17:12:09Z
dc.date.available2018-07-04T16:16:06Z
dc.date.created2013-10-02T17:12:09Z
dc.date.issued2012-08
dc.identifierJOURNAL OF CHEMICAL PHYSICS, MELVILLE, v. 137, n. 6, pp. 811-820, AUG 14, 2012
dc.identifier0021-9606
dc.identifierhttp://www.producao.usp.br/handle/BDPI/33947
dc.identifier10.1063/1.4743635
dc.identifierhttp://dx.doi.org/10.1063/1.4743635
dc.identifier.urihttp://repositorioslatinoamericanos.uchile.cl/handle/2250/1633637
dc.description.abstractIn this paper we investigate the solubility of a hard-sphere gas in a solvent modeled as an associating lattice gas. The solution phase diagram for solute at 5% is compared with the phase diagram of the original solute free model. Model properties are investigated both through Monte Carlo simulations and a cluster approximation. The model solubility is computed via simulations and is shown to exhibit a minimum as a function of temperature. The line of minimum solubility (TmS) coincides with the line of maximum density (TMD) for different solvent chemical potentials, in accordance with the literature on continuous realistic models and on the "cavity" picture. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.4743635]
dc.languageeng
dc.publisherAmerican Institute of Physics
dc.publisherMELVILLE
dc.relationJOURNAL OF CHEMICAL PHYSICS
dc.rightsCopyright AMER INST PHYSICS
dc.rightsopenAccess
dc.titleStructure and anomalous solubility for hard spheres in an associating lattice gas model
dc.typeArtículos de revistas


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