title: A molecular Debye-Hückel theory and its applications to electrolyte solutions.
abstract: In this report, a molecular Debye-Hückel theory for ionic fluids is developed. Starting from the macroscopic Maxwell equations for bulk systems, the dispersion relation leads to a generalized Debye-Hückel theory which is related to the dressed ion theory in the static case. Due to the multi-pole structure of dielectric function of ionic fluids, the electric potential around a single ion has a multi-Yukawa form. Given the dielectric function, the multi-Yukawa potential can be determined from our molecular Debye-Hückel theory, hence, the electrostatic contributions to thermodynamic properties of ionic fluids can be obtained. Applications to binary as well as multi-component primitive models of electrolyte solutions demonstrated the accuracy of our approach. More importantly, for electrolyte solution models with soft short-ranged interactions, it is shown that the traditional perturbation theory can be extended to ionic fluids successfully just as the perturbation theory has been successfully used for short-ranged systems.
authors.affiliation: Department of Chemistry, Iowa State University, Ames, Iowa 50011, USA.
authors.forename: Tiejun
authors.initials: T
authors.lastname: Xiao
authors.forename: Xueyu
authors.initials: X
authors.lastname: Song
mesh_terms: D004573:Electrolytes / Q000737:chemistry*; D008956:Models, Chemical; D012996:Solutions; D055672:Static Electricity; D013816:Thermodynamics
chemical_list: D004573:Electrolytes; D012996:Solutions