Ion-Specific Surface Tension of Aqueous Electrolyte Solutions: Analytical Insights from a Restricted Primitive Model

The ion-specific surface tension of aqueous electrolyte solutions is of fundamental importance in physical chemistry, solution chemistry, electrochemistry, and biochemistry, yet it remains a challenge to be qualitatively predicted. In this work, an analytical theory of ion-specific surface tension is developed. By modeling the solution to a restricted primitive model (RPM), the surface tension increment of the electrolyte solution reduces to the surface tension of the RPM, which is further determined analytically by using the integral equation theory and the morphological thermodynamics theory. According to our formula, the surface tension increment of the electrolyte solution consists of a dominant and positive hard sphere contribution, which depends on the salt concentration, and a secondary electrostatic contribution, which depends on the inverse Debye length and the salt concentration. Our theory is applied to 1:1, 2:2, 1:2, 2:1, 3:1, and 3:2 electrolyte solutions with typical salt concentrations up to several mol/L and compared with experimental data. Without introducing any adjustable parameters, our theory leads to a good prediction of the surface tension increment of more than 50 kinds of aqueous solutions. Such a good agreement demonstrates the great potential of our theory for a fundamental understanding of specific ion effects in a variety of electrolyte solutions.

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Publication Details

Journal
Journal of Chemical Theory and Computation
Published
2024-11-07
DOI
https://doi.org/10.1021/acs.jctc.4c01168
Citations
4
Primary Topic
Chemical and Physical Properties in Aqueous Solutions
Type
article
Field-Weighted Citation Impact
1.69

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article

Ion-Specific Surface Tension of Aqueous Electrolyte Solutions: Analytical Insights from a Restricted Primitive Model

Huijun Jiang, Yun Zhou, Tiejun Xiao
4 citations
Journal of Chemical Theory and Computation
Chemical and Physical Properties in Aqueous Solutions
1.69
article

Ion-Specific Surface Tension of Aqueous Electrolyte Solutions: Analytical Insights from a Restricted Primitive Model

Huijun Jiang, Yun Zhou, Tiejun Xiao
article en
4 citations

Abstract

The ion-specific surface tension of aqueous electrolyte solutions is of fundamental importance in physical chemistry, solution chemistry, electrochemistry, and biochemistry, yet it remains a challenge to be qualitatively predicted. In this work, an analytical theory of ion-specific surface tension is developed. By modeling the solution to a restricted primitive model (RPM), the surface tension increment of the electrolyte solution reduces to the surface tension of the RPM, which is further determined analytically by using the integral equation theory and the morphological thermodynamics theory. According to our formula, the surface tension increment of the electrolyte solution consists of a dominant and positive hard sphere contribution, which depends on the salt concentration, and a secondary electrostatic contribution, which depends on the inverse Debye length and the salt concentration. Our theory is applied to 1:1, 2:2, 1:2, 2:1, 3:1, and 3:2 electrolyte solutions with typical salt concentrations up to several mol/L and compared with experimental data. Without introducing any adjustable parameters, our theory leads to a good prediction of the surface tension increment of more than 50 kinds of aqueous solutions. Such a good agreement demonstrates the great potential of our theory for a fundamental understanding of specific ion effects in a variety of electrolyte solutions.

Journal of Chemical Theory and ComputationVol. 20(22)
University of Science and Technology of China (CN), Guizhou Education University (CN), Hefei National Center for Physical Sciences at Nanoscale (CN)
Guizhou Education University, National Natural Science Foundation of China, Department of Education of Guizhou Province
Clean water and sanitation
Openalex Percentile: Top 18%
Chemical and Physical Properties in Aqueous Solutions
1.69
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