Advances in calculation of kinetic parameters in free-radical polymerization by data-driven methods

Abstract

Kinetic parameters of free-radical polymerization (FRP) are crucial for determining polymerization rate and polymer molecular properties. This opinion article presents various data-driven methods for the determination of kinetic parameters with several case studies based on quantitative structure–property relationships. Such methods allow accurately predict the influence of chemical structural information on kinetic parameters, aligning well with known scientific knowledge. On the long run, with the development of machine learning algorithms, kinetic parameters can be calculated more accurately and efficiently, which can not only deepen the understanding of polymerization kinetics but also help to design new reactants used in FRP.