Modeling for mean ion activity coefficient of strong electrolyte system with new boundary conditions and ion-size parameters |
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Authors: | Miyi Li Tao Fang |
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Affiliation: | 1.School of Chemical Engineering and the Environment, Beijing Institute of Technology, Beijing 100081, China;2.Beijing Institute of Aerospace Testing Technology, Beijing 100074, China |
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Abstract: | A rigorous approach is proposed to model the mean ion activity coefficient for strong electrolyte systems using the Poisson–Boltzmann equation. An effective screening radius similar to the Debye decay length is introduced to define the local composition and new boundary conditions for the central ion. The crystallographic ion size is also considered in the activity coefficient 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 coefficients are calculated for 1:1 aqueous solutions containing strong electrolytes composed of alkali halides. The individual ion activity coefficients and mean ion activity coefficients in mixed sol-vents are predicted with the new equations. |
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Keywords: | Activity coefficient Electrolyte Ion size Poisson-Boltzmann equation |
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