Structure and thermodynamics of asymmetric electrolytes adsorbed in disordered electroneutral charged matrices from replica Ornstein-Zernike equations

Citation
B. Hribar et al., Structure and thermodynamics of asymmetric electrolytes adsorbed in disordered electroneutral charged matrices from replica Ornstein-Zernike equations, J PHYS CH B, 103(25), 1999, pp. 5361-5369
Citations number
39
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
JOURNAL OF PHYSICAL CHEMISTRY B
ISSN journal
15206106 → ACNP
Volume
103
Issue
25
Year of publication
1999
Pages
5361 - 5369
Database
ISI
SICI code
1520-6106(19990624)103:25<5361:SATOAE>2.0.ZU;2-I
Abstract
The replica Ornstein-Zernike equations, supplemented by the hypernetted cha in approximation, were solved for size and/or charge asymmetric electrolyte s adsorbed in a disordered matrix of charged species that are electroneutra l in total. More precisely, the matrix was represented as a symmetric +1:-1 electrolyte. To obtain the numerical solution of the replica Ornstein-Zern ike equations, renormalization of the initial equations was performed. Both the matrix and adsorbed fluid were modeled as charged hard spheres in a di electric continuum. As a result of the numerical calculation, we obtained p air distribution functions. The effect of charge and size asymmetry of the annealed fluid was investigated. We present the results for charge asymmetr ic +2:-1 and +3:-1 electrolytes, and for a solution with asymmetries in cha rge of +3:-1 (+6:-1) and asymmetries in diameter of 7 Angstrom:4 Angstrom, (20 Angstrom:4:4 Angstrom). Ln addition to the structural properties, the i sothermal compressibility and the excess internal energy of the adsorbed el ectrolyte were calculated.