A Comprehensive Approach to Modeling the Copolymer Synthesis Process in Continuous Production

This paper considers the key development stages of a mathematical model for the complex physical and chemical process of copolymerization for the known kinetic mechanism of elementary reactions. To obtain the final mathematical description of the process., a comprehensive approach was employed., which is based on the use of kinetic and statistical modeling methods. To describe the process in the context of a large-scale production characterized by the continuous influx of the reaction mix., the authors proposed recurrent relations that can expand the existing mathematical description. This modeling approach was tested on the continuous butadiene and styrene copolymerization occurring in an emulsion due to the radical mechanism. The process flow of continuous production stipulates using twelve perfect-mixing reactors with a two-point regulator agent feed mechanism. Computational experiments helped assess the dynamics of changes in the key molecular parameters depending on the polymerizer number. The authors achieved satisfactory alignment between the calculated conversion and viscosity values and the experimental data. The obtained mathematical description of the process and the presented modeling approach can be used for the empirical assessment of the key molecular parameters of the product depending on the composition of the initial reaction mix and continuous production scenarios.