Group contribution method for group contribution method for estimation of vapor liquid equilibria in polymer solutions

摘要

This study introduces a specified group-contribution method for predicting the phase equilibria in polymer solutions. The method is based on a modified double lattice model developed previously. The proposed model includes a combinatorial energy contribution that is responsible for the revised Flory-Huggins entropy of mixing, the van der Waals energy contribution from dispersion, a polar force and specific energy contribution. Using the group-interaction parameters obtained from data reduction, the solvent activities for a large variety of mixtures of polymers and solvents over a wide range of temperatures can be predicted with good accuracy. This method is simple but provides improved predictions compared to those of the other group contribution methods.