Abstract: A high-performance Monte Carlo simulation, which
simultaneously takes diffusion-controlled and chain-length-dependent
bimolecular termination reactions into account, is developed to
simulate atom transfer radical copolymerization of styrene and nbutyl
acrylate. As expected, increasing initial feed fraction of styrene
raises the fraction of styrene-styrene dyads (fAA) and reduces that of
n-butyl acrylate dyads (fBB). The trend of variation in randomness
parameter (fAB) during the copolymerization also varies significantly.
Also, there is a drift in copolymer heterogeneity and the highest drift
occurs in the initial feeds containing lower percentages of styrene, i.e.
20% and 5%.
Abstract: In the following text, we show that by introducing
universal kinetic scheme, the origin of rate retardation and inhibition
period which observed in dithiobenzoate-mediated RAFT
polymerization can be described properly. We develop our model by
utilizing the method of moments, then we apply our model to
different monomer/RAFT agent systems, both homo- and
copolymerization. The modeling results are in an excellent
agreement with experiments and imply the validity of universal
kinetic scheme, not only for dithiobenzoate-mediated systems, but
also for different types of monomer/RAFT agent ones.