Extended Debye-Hückel theory for studying the electrostatic solvation energy
1Guizhou Provincial Key Laboratory of Computational, Nano-Material Science, Guizhou Normal College, Guiyang, GuiZhou, 550018 (P.R. China); GZNC-INSPUR Parallel Computing Laboratory, Guizhou Normal College, Guiyang, GuiZhou, 550018 (P.R. China). tjxiao3@mail.ustc.edu.cn, tjxiao@mail.gznc.edu.cn.
Abstract:
The electrostatic part of the solvation energy has been studied by using extended Debye-Hückel (DH) theories. Specifically, our molecular Debye-Hückel theory [J. Chem. Phys. 2011, 135, 104104] and its simplified version, an energy-scaled Debye-Hückel theory, were applied to electrolytes with strong electrostatic coupling. Our theories provide a practical methodology for calculating the electrostatic solvation free energies, and the accuracy was verified for atomic and diatomic charged solutes.
Related Concept Videos
The Debye–Hückel Theory of Electrolyte Solutions
Theory of Strong Electrolytes
Debye–Huckel–Onsager Conductance Equation
The Electrical Double Layer
Calculations of Electric Potential II
Consider a...
Electrolytes: van't Hoff Factor


