radical polymerization, methyl methacrylate, Monte Carlo method, gel effect, conversion
Abstract
The paper considers a model of the process of radical polymerization of methyl methacrylate in the presence of the initiator dinitrile azobisobutyric acid. The kinetic scheme of the process, proceeding in five elementary stages, is given. The inverse problem of restoring the values of the kinetic constants of the process rates is posed and solved. It is shown that the gel effect was taken into account in the calculated dependence on the conversion curve according to the upgraded augmented Hui-Hamelek model, and the solution of the inverse problem was obtained by the Monte Carlo method. At the same time, the consistency of conversion curves obtained by calculation and experimentally is indicated as the main criterion of compliance.
Author Biographies
Kornilova Aliya Adipovna, Ufa University of Science and Technology
Candidate of Chemical Sciences, Associate Professor of the Department of Mathematical and Computer Modeling of the Institute of Informatics, Mathematics and RoboticsORCID: 0009-0004-7858-5720 ResearcherID: KCY-7277-2024 Scopus Author ID 58499653600
Gizzatova Elvira Raisovna, Ufa University of Science and Technology
Doctor of Physical and Mathematical Sciences, Professor of the Department of Mathematical and Computer Modeling of the Institute of Informatics, Mathematics and RoboticsORCID: 0000-0002-5726-4328 Researcher ID: E-4343-2014 Scopus Author ID: 57207189986
Mustafina Sofya Il’shatovna, Ufa University of Science and Technology
Senior Lecturer of the Department of Mathematical and Computer Modeling, Institute of Informatics, Mathematics and Robotics ORCID: 0000-0001-8036-3001 Scopus Author ID: 57204930367
Kornilov Dmitry Anatolievich, Ufa University of Science and Technology
Candidate of Chemical Sciences, Head of the Laboratory for Design of New Functional Materials for Industry, Agriculture and Medicine of the Institute of Chemistry and Protection in Emergency SituationsORCID: 0000-0002-6696-5820 Researcher ID: K-9112-2013 Scopus Author ID: 6602496739
Podvalny Semyon Leonidovich, Voronezh State Technical University
Doctor of Technical Sciences, Professor, Professor of the Department of Automated and Computing Systems ORCID: 0000-0003-1260-4883 Researcher ID: GWQ-8966-2022 Scopus Author ID: 6504328279
