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.
Authors
- Huijun Jiang (ORCID: https://orcid.org/0000-0001-7243-5431)
- Yun Zhou (ORCID: https://orcid.org/0000-0003-1690-5560)
- Tiejun Xiao (ORCID: https://orcid.org/0000-0001-7652-5645)
Institutions
- University of Science and Technology of China (CN)
- Guizhou Education University (CN)
- Hefei National Center for Physical Sciences at Nanoscale (CN)
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
Funders
- Guizhou Education University
- National Natural Science Foundation of China
- Department of Education of Guizhou Province