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.
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7 October 2013
Research Article|
October 02 2013
A unifying mode-coupling theory for transport properties of electrolyte solutions. II. Results for equal-sized ions electrolytes
Claudio Contreras Aburto;
Claudio Contreras Aburto
a)
Institute of Complex Systems, ICS-3,
Research Centre Jülich
, D-52425 Jülich, Germany
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Gerhard Nägele
Gerhard Nägele
b)
Institute of Complex Systems, ICS-3,
Research Centre Jülich
, D-52425 Jülich, Germany
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a)
Present address: División de Ciencias e Ingenierías Campus León, Universidad de Guanajuato, 37150 León, Mexico.
b)
Electronic mail: g.naegele@fz-juelich.de. Also at Department of Physics, Heinrich-Heine-University Düsseldorf, D-40225 Düsseldorf, Germany.
J. Chem. Phys. 139, 134110 (2013)
Article history
Received:
May 23 2013
Accepted:
September 11 2013
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Citation
Claudio Contreras Aburto, Gerhard Nägele; A unifying mode-coupling theory for transport properties of electrolyte solutions. II. Results for equal-sized ions electrolytes. J. Chem. Phys. 7 October 2013; 139 (13): 134110. https://doi.org/10.1063/1.4822298
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