Group-contribution SAFT equations of state: A review

Abstract

We present a review and thorough assessment of recent advances and applications of group-contribution methods (GCMs) implemented in the Statistical Associating Fluid Theory (SAFT) equations of state (EoSs). Modern SAFT EoSs are some of the most advanced and effective thermodynamic models for industrial applications, because they are predictive and have a strong molecular foundation. GCMs are simple and useful approaches that can enhance the predictive ability and applicability of EoSs, for successful evaluation of thermodynamic properties of complex systems. A major advantage of using a GCM is the transferability of functional group parameters, i.e., a single set of parameters can be used for a functional group found in more than one homologous group. Because such a GCM requires less effort in system-specific model fitting and regression, it has also been incorporated into the SAFT-framework, yielding various incarnations of GCM SAFT EoSs. These versatile EoSs have been applied by many researchers to a wide variety of fluids and mixtures, including electrolytes, ionic liquids, polymers, petroleum fluids, biofuels, solvents for CO2 capture, and computer-aided molecular design.