Prediction of Thermodynamics Properties of Fully Dissociated Aqueous Electrolyte Solutions from a New Activity Coefficient Model
Date Issued
2009
Date
2009
Author(s)
Hsieh, Meng-Ting
Abstract
In this work, we show that the mean activity coefficient, osmotic coefficient and vapor pressure of aqueous electrolyte solutions can be successfully predicted through combining the Pitzer-Debye-Huckel model for long range interactions and the COSMO-SAC model for short range interactions. The interactions between different types of species, including ions, ionic groups, hydrogen bonding, and non hydrogen bonding, are considered explicitly (with 13 universal parameters). This approach does not require any ion-solvent pair interaction parameters and does not contain any ion specific parameter other than the ion radius. e have examined this method for three types of systems, including a single salt in water (100 electrolyte systems at 298.15K and 32 electrolyte systems at different temperature), mixture salts in water (8 electrolyte systems), and a single salt in solvent mixture containing water and alcohols (2 electrolyte systems). The predicted result from this method (deviation for 100 electrolyte systems at 298.15K, %ARD = 9.76) presents a similar accuracy as a recent work based on SAFT (%ARD = 9.12) and is suitable for completely dissociated electrolyte solutions.
Subjects
electrolyte
mean activity coefficient
osmotic coefficient
Type
thesis
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