Mathematical modeling of styrene and butyl acrylate homopolymerization via the reversible addition-fragmentation mechanism

A mathematical model is suggested for the kinetics of the controlled free-radical polymerization of two monomers—styrene and butyl acrylate—via the reversible addition-fragmentation chain transfer (RAFT) mechanism (with 2,2′-azobisisobutyronitrile as the initiator and dibenzyl trithiocarbonate as the RAFT agent). A comparison of experimental molecular weight characteristics of polystyrene and poly(butyl acrylate) with those calculated using the model indicates that the model is valid. The effects of the process control parameters (temperature and the initial concentrations of the initiator, monomer, and RAFT agent) have been elucidated by a computational experiment.