A molecular Debye-Hückel theory and its applications to electrolyte solutions: The size asymmetric case.

Abstract

A molecular Debye-Hückel theory for electrolyte solutions with size asymmetry is developed, where the dielectric response of an electrolyte solution is described by a linear combination of Debye-Hückel-like response modes. As the size asymmetry of an electrolyte solution leads to a charge imbalanced border zone around a solute, the dielectric response to the solute is characterized by two types of charge sources, namely, a bare solute charge and a charge distribution due to size asymmetry. These two kinds of charge sources are screened by the solvent differently, our theory presents a method to calculate the mean electric potential as well as the electrostatic contributions to thermodynamic properties. The theory has been successfully applied to binary as well as multi-component primitive models of electrolyte solutions.

DOI: 10.1063/1.4978895

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Cite this paper

@article{Xiao2011AMD, title={A molecular Debye-H{\"{u}ckel theory and its applications to electrolyte solutions: The size asymmetric case.}, author={Tiejun Xiao and Xueyu Song}, journal={The Journal of chemical physics}, year={2011}, volume={146 12}, pages={124118} }