Implementation of the critical point-based revised PC-SAFT for modelling thermodynamic properties of aromatic and haloaromatic compounds

•Aromatic compounds can be included in the CP-PC-SAFT's applicability range.•Various data in wide PVT range can be accurately predicted.•H-GC-PC-SAFT EoS is typically less precise than CP-PC-SAFT.•A drawback of CP-PC-SAFT is underestimating vapour pressures away from critical points.

The current study aims at assessing universality of the recently proposed generalized predictive critical point-based PC-SAFT EoS (CP-PC-SAFT). Phase equilibria and the single phase thermodynamic properties of aromatic compounds and their mixtures are compared with the available experimental information in a wide range reaching at times the pressures of 6000 bars and the super-critical temperatures, while covering nearly 9000 data points. It is demonstrated that in spite of their significant density variations, the compounds under consideration can be included in the applicability range of CP-PC-SAFT. In addition, this model is an effective estimator of data in mixtures. However a major drawback of CP-PC-SAFT is the underestimation of vapour pressures away from critical points. A conceptually different predictive approach, namely the Hybrid Group-Contribution PC-SAFT (H-GC-PC-SAFT, Burgess et al., 2014) is considered as well. Although this model is often less precise than CP-PC-SAFT, in several cases, such as the low temperature vapour pressures, it exhibits noticeable advantages.

Graphical abstractFigure optionsDownload full-size imageDownload as PowerPoint slide