Modeling of Network Formation in Reversible Addition-Fragmentation Transfer (RAFT) Copolymerization of Vinyl/Divinyl Monomers Using a Multifunctional Polymer Molecule Approach

摘要

A mathematical model for the kinetics of copolymerization with crosslinking of vinyl/divinyl monomers in the presence of RAFT controllers is developed. A reaction scheme considering multifunctional polymer molecules, which results in a multidimensional problem, is proposed. Molecular weight development during the pre-gelation period was calculated using the method of moments. Flory– Stockmayer’s theory is used for the postgelation period. The case of RAFT homopolymerization is also studied, as an example of model reduction, with identical results as those obtained with an existing model based on a simplifying premise. Good agreement between predicted profiles, our own experimental data, and data from other groups is obtained in most of the analyzed cases despite the occasional use of certain simplifying assumptions.