Condensed Matter Physics, 2009, vol. 12, No. 4, pp. 717-724
DOI:10.5488/CMP.12.4.717
Title:
Application of Replica Ornstein-Zernike equations in studies of the adsorption of electrolyte mixtures in disordered matrices of charged particles
Author(s):
 
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M. Lukšič
(Faculty of Chemistry and Chemical Technology, University of Ljubljana, 5 Aškerčeva Str., SI-1000 Ljubljana, Slovenia)
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G. Trefalt
(Jožef Stefan Institute, Jamova 39, SI-1000 Ljubljana, Slovenia)
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B. Hribar-Lee
(Faculty of Chemistry and Chemical Technology, University of Ljubljana, 5 Aškerčeva Str., SI-1000 Ljubljana, Slovenia)
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The Replica Ornstein-Zernike (ROZ) equations were used to study the adsorption of ions from electrolyte mixtures. The adsorbent was represented as a quenched primitive model +1:-1 size symmetric electrolyte, while the mobile particles were ions differing in charge and/or size. The ROZ equations in hypernetted-chain (HNC) approximation were tested against new Monte Carlo results in the grand canonical ensemble; good agreement between the two methods was obtained. The ROZ/HNC theory was then used to study the exclusion coefficients as a function of size and/or charge asymmetry of the annealed ions.
Key words:
Electrolyte mixtures, primitive model electrolyte, random porous material, Donnan exclusion coefficient, Replica Ornstein-Zernike integral equation, Monte Carlo simulation
PACS:
82.60.-s, 02.30.Rz, 61.20.-p
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