PREDICTION OF THE PROPERTIES OF MODEL POLYMER-SOLUTIONS AND BLENDS

In this work we present an extension of the statistical associating fl uid theory (SAFT) developed for associating fluids by applying this ex tension to polymer solutions and blends. The polymer molecule is model ed as a flexible chain made of bonded spherical segments. These segmen ts interact with the Lennard-Jones potential. The extension of SAFT is compared with molecular simulation results for polymer solutions and blends. Since the same force model is used in the simulation and theor y, this comparison is a strong test of the assumptions made in derivin g the theory. Results are presented for pure polymers of up to 50 segm ents long, polymer solutions of a polymer 20 segments long dissolved i n its own monomer, and blends of polymers of 25 segments each. The the ory produces results that are in better agreement with simulation resu lts than the Flory-Huggins theory for the systems studied.