Gex-Model Using Local Area Fraction for Binary Electrolyte Systems

The correlation and prediction of phase equilibria of electrolyte systems are essential in the design and operation of many industrial processes such as downstream processing in biotechnology, desalination, hydrometallurgy, etc. In this research, the local composition non-random two liquid-nonrandom factor (NRTL-NRF) model of Haghtalab and Vera was extended for uniunivalent aqueous electrolyte solutions. Based on the assumptions of the NRTL-NRF model, excess Gibbs free energy (gE) functions were derived for binary electrolyte systems. In this work, the local area fraction was applied and the modified model of NRTL-NRF was developed with either an equal or unequal surface area of an anion to the surface area of a cation. The modified NRTL-NRF models consist of two contributions, one due to longrange forces represeInted by the Debye–H¨uckel theory, and the other due to short-range forces, represeInted by local area fractions of species through nonrandom factors. Each model contains only two adjustable parameters per electrolyte. In addition, the model with unequal surface area of ionic species gives better results in comparison with the second new model with equal surface area of ions. The results for the mean activity coefficients for aqueous solutions of uni-univalent electrolytes at 298.15K showed that the present model is more accurate than the original NRTL-NRF model.