GROUP-CONTRIBUTION SIMPLIFIED HOLE THEORY EQUATION OF STATE FOR LIQUID POLYMERS AND SOLVENTS AND THEIR SOLUTIONS

The group contribution (GC) approach was incorporated into the simplif ied hole theory equation of state (SHT EOS) for polymers, solvents, an d polymer-solvent solutions, proposed by the authors previously. The g roup parameters for polymers and solvents were obtained for the descri ption of the PVT relationship for 59 polymers and 59 solvents with rem arkably better prediction accuracy, compared with the GC-Flory and GCL F EOSs. Furthermore, a binary group interaction parameter matrix conta ining 110 parameters were recommended for the prediction of weight fra ction activity coefficients (WFACs) for polymer-solvent solutions. The prediction results for 96 data sets indicate that the GCSHT EOS is su perior to the GCLF EOS with the grand average 6.7% against 14.5% for t he latter. (C) 1998 Elsevier Science B.V.