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A computational study of electrolyte adsorption in a simple model for intercalated clays
Authors
Enrique Lomba
J.-J. Weis
Publication date
29 May 2020
Publisher
'AIP Publishing'
Doi
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Abstract
12 p., 10 fig.A pillared interlayered clay is represented by a two-dimensional quenched charged disordered medium, in which the pillar configuration is produced by the quench of a two-dimensional electrolyte and the subsequent removal of the anions (that act as a template). The cation charge is counterbalanced by a neutralizing background that is an ideal representation of the layer's negative charge in the experimental system. In this paper we investigate the adsorption of electrolyte particles in this charged disordered medium resorting both to the use of the replica Ornstein-Zernike equation in the hypernetted chain approximation and grand canonical Monte Carlo simulations. The theoretical approach qualitatively reproduces the simulated behavior of the adsorbed fluids. Theoretical estimates of the material porosities obtained for various types of pillar distributions are in good agreement with the simulation. We investigate the influence of the matrix on correlation functions and adsorption isotherms. © 2010 American Institute of Physics.E.L. gratefully acknowledges the support from the Dirección General de Investigación Científica y Técnica under Grant No. MAT2007-65711-C04-04 and from the Dirección General de Universidades e Investigación de la Comunidad de Madrid under Grant No. S0505/ESP/0299 and Program MOSSNOHO-CM
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Last time updated on 20/06/2020