A minimum-modified Debye-Hückel(DH)theory for electrolytes with size asymmetry is developed.Com-pared with the conventional DH theory,the minimum-modified DH theory only introduces an extra surface charge density...A minimum-modified Debye-Hückel(DH)theory for electrolytes with size asymmetry is developed.Com-pared 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 electrostat-ic 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.展开更多
基金supported by the National Natural Science Foundation of China(No.21863001)a startup package from Guizhou Education University(to Tiejun Xiao)+1 种基金the Natural Science Foundation of de-partment of education of Guizhou province(No.QJKY[2015]483)a startup package from Guizhou Education University(to Yun Zhou).
文摘A minimum-modified Debye-Hückel(DH)theory for electrolytes with size asymmetry is developed.Com-pared 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 electrostat-ic 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.