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

Authors :
Szortyka, Marcia M.
Girardi, Mauricio
Henriques, Vera B.
Barbosa, Marcia C.
Source :
Journal of Chemical Physics. 8/14/2012, Vol. 137 Issue 6, p064905. 7p. 6 Diagrams, 1 Chart, 6 Graphs.
Publication Year :
2012

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. [ABSTRACT FROM AUTHOR]

Details

Language :
English
ISSN :
00219606
Volume :
137
Issue :
6
Database :
Academic Search Index
Journal :
Journal of Chemical Physics
Publication Type :
Academic Journal
Accession number :
78720270
Full Text :
https://doi.org/10.1063/1.4743635