Comb-Branched Polymer Formation During Copolymerization with Macromonomer

Abstract

ABSTRACTThe branched structure development during copolymerization with macromonomer is investigated by using the Monte Carlo simulation method on the basis of the random sampling technique. The present simulation method is quite general, and in principle, can be applied irrespective of the copolymerization mechanisms and the reactor types used. Free-radical copolymerization systems are used to illustrate the proposed technique. In the Monte Carlo simulation, one can investigate the structure of each polymer molecule directly and very detailed structural information can be obtained in a straightforward manner, including the full distributions of molecular weight and copolymer composition, and the spatial conformation of each polymer molecule. The elution curve of the size exclusion chromatography is also simulated. The present Monte Carlo simulation method can be used to design and control the comb-branched graft polymers formed in the copolymerization with macromonomers.