Minimum-Modified Debye-Hückel Theory for Size-Asymmetric Electrolyte Solutions with Moderate Concentrations

Tiejun Xiao; Yun Zhou

doi:10.1063/1674-0068/cjcp2209140

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Tiejun Xiao, Yun Zhou. Minimum-Modified Debye-Hückel Theory for Size-Asymmetric Electrolyte Solutions with Moderate Concentrations[J]. Chinese Journal of Chemical Physics . doi: 10.1063/1674-0068/cjcp2209140

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Tiejun Xiao, Yun Zhou. Minimum-Modified Debye-Hückel Theory for Size-Asymmetric Electrolyte Solutions with Moderate Concentrations[J]. Chinese Journal of Chemical Physics . doi: 10.1063/1674-0068/cjcp2209140

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Minimum-Modified Debye-Hückel Theory for Size-Asymmetric Electrolyte Solutions with Moderate Concentrations

doi: 10.1063/1674-0068/cjcp2209140

Tiejun Xiao^,,
Yun Zhou

Guizhou Provincial Key Laboratory of Computational Nano-Material Science, Guizhou Synergetic Innovation Center of Scientific Big Data for Advanced Manufacturing Technology, Guizhou Education University, Guiyang 550018, China

More Information

Corresponding author: E-mail: tjxiao3@mail.ustc.edu.cn
Received Date: 2022-09-19
Accepted Date: 2022-10-31

Available Online: 2022-11-01

Abstract

Abstract

A minimum-modified Debye-Hückel (DH) theory for electrolytes with size asymmetry is developed. Compared with the conventional DH theory, the minimum-modified DH theory only introduces an extra surface charge density to capture the electrostatic effect of the size asymmetry of the electrolytes and hence facilitates a boundary element method for electrostatic potential calculation. This theory can distinguish the electrostatic energies and excess chemical potentials of ions with the same sizes but opposite charges, and is applied to a binary primitive electrolyte solution with moderate electrostatic coupling. Compared with the hyper-netted chain theory, the validity of this modified DH theory demonstrates significant improvement over the conventional DH theory.
- Electrolyte solution,
- Size-asymmetry,
- Debye-Hückel theory,
- Electrostatic energy,
- Chemical potential

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References(45)

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