Stochastic Simulation of Controlled Radical Polymerization Forming Dendritic Hyperbranched Polymers

Stochastic simulation of the formation process of hyperbranched polymers (HBPs) based on the reversible deactivation radical polymerization (RDRP) using a branch-inducing monomer, evolmer, has been carried out. The simulation program successfully reproduced the change of dispersities (Ds) during the polymerization process. Furthermore, the simulation suggested that the observed Ds (=1.5-2) are due to the distribution of the number of branches instead of undesired side reactions, and that the branch structures are well controlled. In addition, the analysis of the polymer structure reveals that the majority of HBPs have structures close to the ideal one. The simulation also suggested the slight dependence of branch density on molecular weight, which was experimentally confirmed by synthesizing HBPs with an evolmer having phenyl group.

Automated summary

Stochastic simulation of the formation process of hyperbranched polymers (HBPs) using a branch-inducing monomer, evolmer, revealed that the observed dispersities (Ds) were due to the distribution of the number of branches instead of undesired side reactions. The simulation also showed that the branch structures were well controlled and the majority of HBPs had structures close to the ideal one. Furthermore, the simulation suggested a slight dependence of branch density on molecular weight, which was experimentally confirmed.