polymerization, chemical engineering process modeling, database, big data processing, process optimization, digital twin
Abstract
This paper presents the development and implementation of a model for storing and analyzing data and experimental results for studying batch polymerization processes. An approach to organizing a relational database is proposed, providing structured storage of simulation parameters, kinetic schemes, formulas, and calculation results, including polymer molecular weight characteristics. The architecture of a software package is implemented, combining a Monte Carlo simulation module and a SQL Server database management system, enabling the automation of data accumulation and processing. The system's capabilities for analyzing and comparing the results of computational experiments are demonstrated using the example of isoprene polymerization in a batch reactor. Using a database improves the reproducibility of results, accelerates data processing, and creates the basis for subsequent optimization of process modes and the implementation of digital twin elements of chemical engineering processes.
doi 10.33184/bulletin-bsu-2026.2.9
Author Biographies
Tatiana Anatolevna, Ufa University of Science and Technology
Candidate of Physical and Mathematical Sciences, Docent, Associate Professor of the Department of Mathematical and Computer Modeling of the Institute of Informatics, Mathematics and Robotics.ORCID: 0000-0002-9096-4385. Web of Science Researcher ID: Q-7593-2017. Scopus Author ID: 56177484100.
Mustafin Ilnur Ilgamovich, Ufa University of Science and Technology
Postgraduate student of the Department of Mathematical and Computer Modeling of the Institute of Informatics, Mathematics and Robotics.
Mustafina Svetlana Anatolyevna, Ufa University of Science and Technology
Doctor of Physical and Mathematical Sciences, Professor, Head of the Department of Mathematical and Computer Modeling of the Institute of Informatics, Mathematics and Robotics.ORCID: 0000-0002-6363-1665.Scopus Author ID 6603592002.
