Structure and anomalous solubility for hard spheres in an associating lattice gas model
dc.contributor.author | Szortyka, Marcia Martins | pt_BR |
dc.contributor.author | Girardi, Mauricio | pt_BR |
dc.contributor.author | Henriques, Vera Bohomoletz | pt_BR |
dc.contributor.author | Barbosa, Marcia Cristina Bernardes | pt_BR |
dc.date.accessioned | 2020-01-30T04:09:09Z | pt_BR |
dc.date.issued | 2012 | pt_BR |
dc.identifier.issn | 0021-9606 | pt_BR |
dc.identifier.uri | http://hdl.handle.net/10183/205065 | pt_BR |
dc.description.abstract | In 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. | en |
dc.format.mimetype | application/pdf | pt_BR |
dc.language.iso | eng | pt_BR |
dc.relation.ispartof | The journal of chemical physics. New York. Vol. 137, no. 6 (Aug. 2012), 064905, 7 p. | pt_BR |
dc.rights | Open Access | en |
dc.subject | Potencial químico | pt_BR |
dc.subject | Aproximação de aglomerado | pt_BR |
dc.subject | Solubilidade | pt_BR |
dc.subject | Gás de rede | pt_BR |
dc.subject | Estrutura líqüida | pt_BR |
dc.subject | Método de Monte Carlo | pt_BR |
dc.subject | Diagramas de fase | pt_BR |
dc.subject | Água | pt_BR |
dc.title | Structure and anomalous solubility for hard spheres in an associating lattice gas model | pt_BR |
dc.type | Artigo de periódico | pt_BR |
dc.identifier.nrb | 000867615 | pt_BR |
dc.type.origin | Estrangeiro | pt_BR |
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