首页> 中文期刊> 《中国化学工程学报:英文版》 >新的边界条件和离子尺寸参数的强电解质系统的平均离子活度系数建模(英文)

新的边界条件和离子尺寸参数的强电解质系统的平均离子活度系数建模(英文)

         

摘要

A rigorous approach is proposed to model the mean ion activity coef ficient for strong electrolyte systems using the Poisson–Boltzmann equation. An effective screening radius similar to the Debye decay length is introduced to de fine the local composition and new boundary conditions for the central ion. The crystallographic ion size is also considered in the activity coef ficient expressions derived and non-electrostatic contributions are neglected. The model is presented for aqueous strong electrolytes and compared with the classical Debye–Hückel(DH) limiting law for dilute solutions. The radial distribution function is compared with the DH and Monte Carlo studies. The mean ion activity coef ficients are calculated for 1:1 aqueous solutions containing strong electrolytes composed of alkali halides. The individual ion activity coef ficients and mean ion activity coef ficients in mixed solvents are predicted with the new equations.

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