The inclusion of organic acids dissociation in the prediction of liquid-liquid equilibrium data

Abstract Advances in thermodynamic equilibrium have led to the recent development of binary, ternary and quaternary systems including electrolytes. However, a precise determination of phase equilibrium must consider the physical-chemical aspects of the components that will can to take place in a mixture. A solute is liable to dissociate hence the need to take this consideration into account. The chosen organic acids have attracted much attention in the research works but unfortunately, their dissociation into the aqueous phase has not been taken into the calculation of phase equilibrium. The present research work focuses on the development of the calculation of the phase equilibrium methods by including the dissociation of the chosen organic acids, for predicting the liquid-liquid equilibrium (LLE) data from the binary parameters for various ternary systems composed of {water-phosphoric acid-methylisobutylketone},{water-acetic acid-cumene},{water-propionic acid-cumene},{water-formic acid-isoamyl acetate} and {water-butyric acid-isoamyl acetate} at 298.15 K and normal atmospheric pressure, so as to be able to design electrolytes having specific properties. This requires a modeling framework that is based upon the fundamental laws and models of physics. Therefore, in our study, we used the Extended UNIQUAC model to predict the LLE data. We are newly investigating the effect of including the dissociation of the picked organic acids on prediction of phase equilibrium. The results have been compared with authors who consider no dissociation of organic acids, where they have been satisfactory.