Pure And Modified Co-poly(amide-12-b-ethylene oxide) Membranes For Gas Separation Studied By Molecular Investigations

A combined experimental and theoretical study has been performed to investigate transport properties in a pure and modified poly(amide-12-b-ethylene oxide) (PEBAX (R) 2533) block copolymer membrane with N-ethylo,p-toluenesulphonamide (KET) as additive molecules. MD simulations using COMPASS force field, Gusev-Suter Transition State Theory (TST) and Monte Carlo methods have been used. Bulk models of PEBAX (R) 2533 and PEBAX/KET in different copolymer/additive compositions have been assembled and analysed to evaluate gas permeability and the morphology to characterize structure-performance relationships.