Simulation studies of the discrete semi-batch RAFT–mediated polymerization of styrene using a RAFT agent with relatively poor leaving group

Abstract

Simulated RAFT–mediated polymerization of styrene using a RAFT agent with a relatively poor leaving group exhibits good control under semi-batch mode of polymerization compared to batch mode polymerization. For bulk and solution polymerization simulated under batch condition, the dispersity values are ∼1.40, and the corresponding molecular weight distributions display significant tailing on the low molecular weight side. In the case of RAFT–mediated polymerization simulated under discrete semi-batch conditions, narrower molecular weight distributions are obtained, with dispersity values ∼1.2. Simulated conversion and molecular weight data are in good agreement with experimentally determined values. For polymerizations simulated up to ca. 40% overall monomer conversion under batch and discrete semi-batch mode of polymerization, similar fractions of living chains are obtained.