电解质溶液的分子热力学模型研究进展

"本文从经典溶液理论及半经验模型、近代统计力学理论和分子模拟三大方面阐述了近年来国内外电解质溶液热力学的研究进展。指出电解质溶液的研究已逐渐从经典的溶液理论和半经验模型转向用统计力学理论进行研究, 从电解质的原始模型转向非原始模型。从分子和离子的微观参数出发建立高水平的热力学理论模型, 以预测电解质溶液体系的宏观热力学性质, 是发展的必然趋势。

Progress in Study on Molecular Thermodynamic Model for Electrolyte Solution

A review of thermodynamic study for electrolyte solution in recent years is presented from three aspects,i.e., traditional solution theory or semiempirical model, advanced statistical mechanics theory and molecular simulation. It is pointed out that the main tendency of this study is gradually turned from the traditional solution theory or semiempirical model to statistical mechanics theory , from primitive to nonprimitive electrolyte model, in o rder to estab lish the mo lecu lar thermodynam ic model at h igh level,which can predict them acroscopic thermodynamic properties of electrolyte solution system from the microscopic molecular and ionic parameters.