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,>C-Ar-,-O-, >C=O,-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. (C) 2012 Elsevier B.V. All rights reserved.