Theoretical Insights into Midchain Radicals and Branching Characteristics in Solution Copolymerization of Ethylene and Vinyl Acetate
Suocheng Chi,
Yingzhe Yu,
Minhua Zhang
Abstract:The kinetics of intermolecular chain transfer to polymer (CTP) and chain transfer to monomer (CTM), as well as backbiting in solution copolymerization of ethylene and vinyl acetate (VAc), are calculated by density functional theory. An intrinsic rate coefficient for each reaction type, whose Arrhenius parameters are expressed as functions of unreacted monomer composition, is extracted from calculated elementary reactions, and hence it applies to a wide range of fragment compositions of EVA. Backbiting controls… Show more
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