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Accurate Determination of the Equilibrium Surface Tension Values with Area Perturbation Tests
Published on: August 30, 2019
An Analytical Theory for the Ion-Specific Surface Tension of Nonaqueous Electrolyte Solutions
Tiejun Xiao1, Yun Zhou1, Yi Liu2
1Guizhou 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, People's Republic of China.
Abstract:
Analytical prediction of the ion-specific surface tension of nonaqueous electrolyte solutions remains an open challenge. In a previous work [J. Chem. Theory Comput. 2024, 20, 10158-10166], we have developed an analytical theory for the surface tension of aqueous electrolyte solutions by mapping an aqueous electrolyte solution to a restricted primitive model (RPM). In this work, we extend this prescription to nonaqueous solutions by also mapping a nonaqueous solution to a RPM. Our theory is applied to several 1:1 nonaqueous electrolyte solutions and compared with experimental data. Without introducing any adjustable parameters, our theory leads to a good prediction of surface tension increments of several nonaqueous solutions with a salt concentration up to 1 mol/L.
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