Title

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

Campus Units

Chemistry, Ames Laboratory

Document Type

Article

Publication Version

Published Version

Publication Date

2017

Journal or Book Title

Journal of Chemical Physics

Volume

146

Issue

12

First Page

124118

DOI

10.1063/1.4978895

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.

Comments

This article is published as Xiao, Tiejun, and Xueyu Song. "A molecular Debye-Hückel theory and its applications to electrolyte solutions: The size asymmetric case." The Journal of Chemical Physics 146, no. 12 (2017): 124118. doi: 10.1063/1.4978895. Posted with permission.

Copyright Owner

The Authors

Language

en

File Format

application/pdf

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