Modeling of liquid-liquid equilibrium for binary and ternary systems containing ionic liquids with the hexafluorophosphate anion using the ASOG method

摘要

Models capable of predicting thermodynamic equilibrium data are essential in developing projects for chemical processing plants. Liquid-liquid equilibrium data (LLE) for systems including ionic liquids are essential for the design and operation of separation processes, but are still scarce. In this sense, the objective of this work is to apply the group contribution ASOG method for calculating activity coefficient data to predict liquid-liquid equilibrium and evaluate their effectiveness in representing the calculated data. ELL experimental data are required for the prediction obtained from the literature for binary and ternary systems containing hexafluorophosphate anion. The modeling was performed with 19 binary and 27 ternary systems at 101.3 kPa and several temperatures. As a result, new ASOG pairs groups were obtained that serve to model new systems that include ionic liquids and other compounds. The average deviation (rms) is approximately 4%. It can be concluded that the ASOG method predicts with good accuracy. (C) 2016 Elsevier B.V. All rights reserved.