Measurement of Liquid–Liquid Equilibria for Heptane + Alcohol + Methanol Systems and Prediction Using ASOG-LLE

Abstract

This paper reports the Analytical Solutions of Groups (ASOG) for the prediction of liquid–liquid equilibria (LLE), i.e., ASOG-LLE. In this work, the fundamental group pair parameters of ASOG-LLE were determined from the experimental LLE data. To determine these parameters, we measured binodal curves and tie-line LLE data for ternary systems of heptane + alcohol (ethanol, 1-propanol, 2-propanol, and 1-butanol) + methanol at 303.15 and 298.15 K. The experimental tie-line LLE data were correlated using the NRTL model. ASOG-LLE parameters including CH₂, OH, H₂O, 1-PrOH, and 2-PrOH, as fundamental groups, were determined using our experimental LLE tie-line data with literature values for systems including alcohol + alcohol + alkane, alcohol + water + alcohol and alcohol + water + alkane. The predicted LLE results were compared with those based on the Universal Functional Group Activity Coefficient (UNIFAC)- LLE.