Application of Replica Ornstein-Zernike equations in studies of the adsorption of electrolyte mixtures in disordered matrices of charged particles

Abstract

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.

Keywords

• Electrolyte mixtures
• primitive model electrolyte
• random porous material
• Donnan exclusion coefficient
• Replica Ornstein-Zernike integral equation
• Monte Carlo simulation