Simultaneous correlation of infinite dilution activity coefficient, vapor–liquid, and liquid–liquid equilibrium data with F-SAC

• The F-SAC model is extended with a new temperature correction.
• The modified model is able to simultaneously correlate IDAC and LLE data in wide temperature ranges.
• VLE predictions were in very good agreement with experimental data.

In this work, the recently proposed Functional-Segment Activity Coefficient (F-SAC) model is revised and extended in order to simultaneously represent infinite dilution activity coefficient (IDAC), vapor–liquid (VLE), and liquid–liquid (LLE) equilibrium data. For this investigation, systems involving aromatics, alkanes, cycloalkanes, alkenes and n-Formylmorpholine were selected for the tests. The behavior of these mixtures vary from nearly ideal to partially miscible. A new parameter per group was introduced in order to better represent LLE data in wide temperature ranges. The revised model was calibrated with experimental IDAC and LLE (binary and ternary systems) data. F-SAC correlation results and predictions of VLE experiments were compared with different UNIFAC parametrizations available in the literature. For the systems tested, the proposed approach showed to be more general; there were good IDAC and LLE correlations as well as VLE predictions, all with a single parameter set.