Monte Carlo simulation on the kinetics and molecular weight distribution in RAFT polymerization: The effect of the concentration of RAFT agent

The effect of the concentration of RAFT agent of Styrene in RAFT polymerization are the subject of discussion. The kinetics and molecular weight distribution (MWD) occurring in RAFT polymerizations were simulated by using a completely Stochastic Monte Carlo algorithm (SMCA). The simulation results have shown that the polymerization rate (Rp) is strongly retarded by adding the RAFT agent and the higher initial concentration of RAFT agent will cause stronger retardation although it results in narrower MWD. All of theses findings basically agree with the experimental observations quite well