Adsorption of electrolyte in a templated hard-sphere matrix. Predictions of the continuum replica Ornstein-Zernike approach
Por:
Dominguez H., Hribar Lee B., Vlachy V., Pizio O.
Publicada:
1 ene 2003
Resumen:
Thermodynamic and structural properties of the primitive model of size asymmetric 1-1 electrolyte solutions in a disordered hard-sphere matrix environment mimicking a microporous adsorbent were studied. The influence of the hard-sphere template on the adsorption properties of the material was analyzed. The numerical results of our study follow from the application of the replica Ornstein-Zernike integral equations, complemented by the hypernetted chain closure. Two different electrolyte models were examined with parameters mimicking lithium and sodium chloride solutions. The excess chemical potential for adsorbed electrolyte in an untemplated and a templated hard-sphere matrix was studied. Steric effects due to matrix confinement are known to have substantial influence on the properties of the annealed electrolyte. Our results showed the hard-sphere template produces a distribution of obstacles which increases the adsorption of electrolyte compared to the untemplated matrix case. The results were explained with regard to the pair-distribution functions for the various interaction pairs. © 2003 Elsevier Science B.V. All rights reserved.
Filiaciones:
Dominguez H.:
Inst. de Química de la UNAM, Circuito Exterior, Coyoacan 04510, Mexico, D.F., Mexico
Hribar Lee B.:
Fac. of Chem./Chemical Technology, University of Ljubljana, Aškerceva 5, Ljubljana 1000, Slovenia
Vlachy V.:
Fac. of Chem./Chemical Technology, University of Ljubljana, Aškerceva 5, Ljubljana 1000, Slovenia
Fac. of Chem./Chemical Technology, University of Ljubljana, Aškerceva 5, 1001 Ljubljana, Slovenia
Pizio O.:
Inst. de Química de la UNAM, Circuito Exterior, Coyoacan 04510, Mexico, D.F., Mexico
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