A revised LIQUAC and LIFAC model (LIQUAC*/LIFAC*) for the prediction of properties of electrolyte containing solutions

The reliable knowledge of the thermodynamic behavior plays a major role for the design of different industrial processes. A lot of thermodynamic models do not incorporate electrolyte solutions. For these systems special models have been published. However a lot of these models suffer from the fact that highly concentrated electrolyte solutions cannot be calculated with the desired accuracy which leads to problems when calculating, e.g. salt solubilities. In this article, a revised LIQUAC and LIFAC model is presented, which enables the user to describe mean activity coefficients, osmotic coefficients and also vapor–liquid equilibria reliably. Furthermore the prediction of salt solubilities in aqueous solutions and mixed solvents can be performed successfully. In this paper the predicted data are compared with published data stored in the Dortmund Data Bank. The improvements achieved are additionally shown by a comparison with the results of the original LIQUAC and LIFAC model.

► Revised electrolyte models LIQUAC* resp. LIFAC* are introduced. ► Dielectric constants of the solvents as f(T) are described by a polynomial equation. ► Group interaction parameters for a large number of group combinations were fitted. ► Both models describe thermodynamic properties of electrolyte systems reliably. ► Various results for electrolyte systems are presented.