Study of kinetic heterogeneity of polymerization catalysts using a genetic algorithm

Abstract

An alternative approach to evaluating the kinetic heterogeneity of polymerization catalysts using heuristic optimization methods is proposed. The assessment is based on the analysis of the molecular weight distribution (MWD) curve, which can be represented as a superposition of several model distributions, each corresponding to a specific active center initiating the polymerization process. The proposed mathematical approach is based on a genetic algorithm to solve inverse problems related to the identification of unknown parameters that determine the contribution of each active center to the overall MWD profile. Unlike classical methods, this approach does not require the determination and analysis of the active center distribution curve. Instead, it assumes that the polymer distribution at each active center follows one of the known model distributions. The methodology was tested in the study of the kinetic heterogeneity of a titanium-containing catalytic system used in the production of 1,4-cis-polyisoprene.