You can manage bookmarks using lists, please log in to your user account for this.
Media type:
E-Article
Title:
A unifying mode-coupling theory for transport properties of electrolyte solutions. II. Results for equal-sized ions electrolytes
Contributor:
Aburto, Claudio Contreras;
Nägele, Gerhard
imprint:
AIP Publishing, 2013
Published in:The Journal of Chemical Physics
Language:
English
DOI:
10.1063/1.4822298
ISSN:
0021-9606;
1089-7690
Origination:
Footnote:
Description:
<jats:p>On the basis of a versatile mode-coupling theory (MCT) method developed in Paper I [C. Contreras Aburto and G. Nägele, J. Chem. Phys. 139, 134109 (2013)], we investigate the concentration dependence of conduction-diffusion linear transport properties for a symmetric binary electrolyte solution. The ions are treated in this method as charged Brownian spheres, and the solvent-mediated ion-ion hydrodynamic interactions are accounted for also in the ion atmosphere relaxation effect. By means of a simplified solution scheme, convenient semi-analytic MCT expressions are derived for the electrophoretic mobilities, and the molar conductivity, of an electrolyte mixture with equal-sized ions. These expressions reduce to the classical Debye-Falkenhagen-Onsager-Fuoss results in the limit of very low ion concentration. The MCT expressions are numerically evaluated for a binary electrolyte, and compared to experimental data and results by another theoretical method. Our analysis encloses, in addition, the electrolyte viscosity. To analyze the dynamic influence of the hydration shell, the significance of mixed slip-stick hydrodynamic surface boundary conditions, and the effect of solvent permeability are explored. For the stick boundary condition employed in the hydrodynamic diffusivity tensors, our theoretical results for the molar conductivity and viscosity of an aqueous 1:1 electrolyte are in good overall agreement with reported experimental data for aqueous NaCl solutions, for concentrations extending even up to two molar.</jats:p>