论文部分内容阅读
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.
A rigorous approach is proposed to model the mean ion activity coeficient for strong electrolyte systems using the Poisson-Boltzmann equation. An effective screening radius similar to the Debye decay length is introduced to fine the local composition and new boundary conditions for the central ion . The crystallographic ion size is also considered in the activity of coeficient 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 The mean ion activity coeficients are calculated for 1: 1 aqueous solutions containing strong electrolytes composed of alkali halides. The individual ion activity coeficients and mean ion activity coeficients in mixed solvents are predicted with the new equations.