Structural properties of the ion-dipole model of electrolyte solution near charged and uncharged hard wall

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The method of optimized cluster expansions is applied for the calculations of equilibrium properties of the ion-dipole model of electrolyte solutions near the surface. An integral equation for ion-wall and dipole-wall distribution functions in the mean spherical approximation is given. The distribution functions are calculated in the third cluster coefficient approximation for the system near the surface. An analysis of dipolar angular distribution, the density and polarization profiles of dipoles near the wall is given. The results obtained are compared with the data of other theories and computer simulation data for aqueous systems in contact with the surface.
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Fakultät / Institut:
Fakultät für Chemie
Dewey Dezimal-Klassifikation:
500 Naturwissenschaften und Mathematik » 540 Chemie
Structural properties, ion-dipole model, electrolyte near charged and uncharged
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Ukrainian Academy of Sciences, Institute for Theoretical Physics (ITP), Kiev, Ukraine (1989) Preprint ITP-89-20E