Modeling the fluid phase behavior of amines, aromatic amines and their mixtures using the modified group-contribution PC-SAFT

The modified group-contribution PC-SAFT has been extended to model the fluid phase behavior of amines containing mixtures. The importance of the polar and association terms was investigated using the PCSAFT EoS by applying the model to calculate the liquid-liquid equilibrium of aromatic amines containing systems. The results obtained in this work suggest that: omitting the polar term of alkyl amines could be compensated by a non-zero binary interaction parameter to obtain good prediction results on vapor-liquid equilibria of its mixtures. However, explicitly taken in account the polar term with the 2B association schema to the PC-SAFT has proven necessary to correctly describe the LLE of aromatic amine containing mixtures. For most systems considered in this work, good VLE and LLE computation results were obtained, including the multi azeotropes mixture. (C) 2021 Elsevier B.V. All rights reserved.