Extension of the PC-SAFT based group contribution method for polymers to aromatic, oxygen- and silicon-based polymers

A PC-SAFT group contribution method (GCM) for polymers developed earlier [10] is extended to aromatic, oxygen- and silicon-based (co-)polymers. Polymer parameters are determined using group contributions and applying simple arithmetic and geometric combination rules. Group contributions for six new groups are identified and parameterized: >CHAr, >CAr, O, >CO, OH and >Si<. The parameterization method is applied to liquid density and binary liquid–liquid equilibria and vapor–liquid equilibria as well as to excess enthalpies of polymers containing aromatic, oxygen- and silicon-containing monomer units in an extended spectrum of nonpolar, polar and associating solvents. Modeling results using both, GCM and fitted polymer parameters, show equally-good agreement with experimental data.

► Published PC-SAFT based group contribution method for polymers (GCM-P) extended to aromatic, oxygen- and silicon-based (co-)polymers. ► Six new groups identified: >CHAr, >CAr, O, >CO, OH and >Si<. ► Applying the GCM-P good agreement between experimental and modeling data achieved. ► 21 (co-)polymer pVTs, 100 binary and 8 ternary (co-)polymer systems considered. ► Solvent spectrum (cyclic, polar, aromatic) extended for multi-component systems.