Process simulation and optimization in chemical reactor design
Article Sidebar
This work is licensed under a Creative Commons Attribution-ShareAlike 4.0 International License.
Main Article Content
Abstract
Process simulation has become an essential tool in modern chemical engineering, especially in the design and optimization of chemical reactors. Accurate modeling of reaction kinetics, thermodynamic behavior, and transport phenomena enables engineers to predict reactor performance under various operating conditions. This paper explores the role of simulation software, mathematical models, and optimization algorithms in improving reactor design efficiency, energy utilization, and product yield. A case-based approach is used to demonstrate how simulation enhances decision-making in both batch and continuous reactor systems.
Article Details
References
Sánchez, M., Gómez, L., Ortega, J. (2023). Machine learning-based optimization of methanol production from CO₂ in packed bed reactors. Chemical Engineering Journal, 460, 141312. https://doi.org/10.1016/j.cej.2023.141312 DOI: https://doi.org/10.1016/j.cej.2023.141312
Liu, Y., Zhang, H., & Chen, Q. (2022). CFD-assisted design and optimization of tubular reactors for sustainable chemical synthesis. Journal of Cleaner Production, 363, 132437. https://doi.org/10.1016/j.jclepro.2022.132437
Patel, R., Kumar, P. (2021). Multi-objective optimization of hydrogen production in membrane reactors using genetic algorithms. International Journal of Hydrogen Energy, 46(15), 9350–9362.
Ahmed, Z., & Farooq, U. (2024). Integration of AI tools in chemical reactor modeling and control: A review. Chemical Engineering Research and Design, 195, 1026–1041. https://doi.org/10.1016/j.cherd.2024.03.010 DOI: https://doi.org/10.1016/j.cherd.2024.03.010
Dey, S., Singh, R. K. (2023). Green reactor design using AI-optimized kinetic models for biofuel production. Renewable Energy, 210, 1284– 1295.
Wang, J., Zhao, X., Li, M. (2022). Aspen Plus-based modeling and optimization of industrial-scale CSTRs in fine chemical synthesis. Computers and Chemical Engineering, 161, 107767. https://doi.org/10.1016/j.compchemeng.2022.107767 DOI: https://doi.org/10.1016/j.compchemeng.2022.107767