Monte-Carlo simulation of free-radical decay as a probe of local and collective dynamics in polymer molecules

Abstract

The effect of molecular mobility on the stability of free radicals in amorphous polymers was investigated by a Monte-Carlo (MC) method. Crank, crankshaft-like, kink and double kink were used as the various types of movements of submolecular structures. This work introduces the librational motions of these structures and formulates the methodology for their incorporation into the MC method. The results show that the presence of librational motion significantly influences both transfer and the decay of free radicals.