Evaluation and improvement of the predictive capabilities of PC-SAFT for the liquid–liquid phase boundaries in the solution polymerisation process

A Semiempirical Method for the Estimation of High-Pressure (Solvent + Polymer) Phase Boundaries in the Solution Polymerization Process

“…While its correlative flexibility is less than that of the MSL EoS, it shows improved predictive capability and its BIPs appear to be transferrable across polymers of different molecular masses and copolymer compositions. ,,,,,− A group-contribution method has also been proposed to estimate PC-SAFT polymer–solvent BIPs when no experimental data are available . However, an underlying problem with using any EoS for the calculation of (solvent + polymer) phase boundaries is the reliable determination of polymer parameters. , Specifically for solution process phase behavior, the PC-SAFT EoS struggles to predict accurately the pressure–temperature slope of the liquid–liquid boundary, to calculate accurately the phase boundaries in the concentrated polymer region where commercial reactors operate, and to predict the effect of adding α-olefins to pure solvents . Consequently, EoSs are not yet advanced enough to replace experimental measurement entirely, and the availability of (solvent + polymer) phase behavior data remains a necessity.…”

“…18,33 Specifically for solution process phase behavior, the PC-SAFT EoS struggles to predict accurately the pressure− temperature slope of the liquid−liquid boundary, to calculate accurately the phase boundaries in the concentrated polymer region where commercial reactors operate, and to predict the effect of adding α-olefins to pure solvents. 34 Consequently, EoSs are not yet advanced enough to replace experimental measurement entirely, and the availability of (solvent + polymer) phase behavior data remains a necessity.…”