Application of sPC-SAFT and group contribution sPC-SAFT to polymer systems-Capabilities and limitations

摘要

A group contribution (GC) version of the simplified Perturbed-Chain Statistical Associating Fluid Theory (sPC-SAFT) Equation of State is proposed in a previous work [A. Tihic, G.M. Kontogeorgis, N. von Solms, M. Michelsen, L Constantinou, Ind. Eng. Chem. Res. 47 (2008) 5092-51011. The reported predictive capability of the model demonstrates satisfactory description of the fluid behaviour of several polymer systems, including both vapour-liquid equilibria and liquid-liquid equilibria. This work continues the systematic study on phase behaviour of polymer systems with the two versions of the sPC-SAFT model, with and without GC. The reported results contribute to a better understanding of the applicability of the sPC-SAFT model to binary polymer mixtures, and identify both models as good predictive tools for several industrial applications. Limitations are also identified and discussed.