Mathematical modeling of 1,3-butadiene polymerization over a neodymium-based catalyst in a batch reactor with account taken of the multisite nature of the catalyst and chain transfer to the polymer

Abstract

A mathematical model for a batch polymerization process under the effect of a neodymium versatate-diisobutylaluminum hydride-hexachloro-p-xylene catalytic system is developed that takes into account its polycentric nature and chain transfer to the polymer. The mechanism of 1,3-butadiene polymerization in the presence of the catalytic system under investigation is proposed. It is assumed that butadiene polymerization occurs at two types of active sites with the transition of the centers with higher activity to the centers with lower activity. The constructed mathematical model adequately describes the experimental data, which confirms the proposed mechanism of the process.