Journal of Petroleum Research

Journal of Petroleum Research

Dynamic Modeling and Simulation of a Fixed-Bed Reactor for Ethylene Oxide Production in ASPEN PLUS and Optimization Using Artificial Neural Networks (ANN)

Document Type : Research Paper

Authors
Amir Hossein Nasiri 1
Mehdi Bayat 2
1 Department of Chemical Engineering, Faculty of Petrochemical Engineering, University of Bojnord, Iran
2 Department of Chemical Engineering, Faculty of Petrochemical Engineering, University of Bojnord, Bojnord, Iran
10.22078/pr.2026.5765.3563
Abstract
In this study, the industrial production of ethylene oxide (EO) in a fixed-bed reactor was modeled and simulated using Aspen Plus V14. The catalytic oxidation of ethylene over a silver (Ag) bed requires accurate modeling due to its highly exothermic nature and the presence of side reactions. Reactor performance was evaluated under both steady-state and dynamic conditions. Thermodynamic modeling was carried out using the Soave–Redlich–Kwong (SRK) equation of state and nonlinear kinetic relations, while the effects of pressure drop (calculated using the Ergun equation), heat transfer, and catalyst deactivation were incorporated into the model. Dynamic simulation was performed over a 1100-day period, and the obtained results were compared with actual industrial data, showing good agreement. The influence of ethylene dichloride (EDC) on selectivity, with respect to acceptable EO production levels, was also investigated. Finally, optimization using artificial neural networks (ANN) in the MATLAB environment demonstrated the potential of the proposed model for improving industrial processes.
Keywords
Reactor
Modeling
Optimization
Simulation
Kinetics
ASPEN PLUS
Subjects
[1]. Rahimpour, M. R., Shayanmehr, M., & Nazari, M. (2011). Modeling and simulation of an industrial ethylene oxide (EO) reactor using artificial neural networks (ANN). Industrial & engineering chemistry research, 50(10), 6044-6052. doi.org/10.1021/ie101319d.
[2]. Bayat, M., Dehghani, Z., Hamidi, M., & Rahimpour, M. R. (2013). Dynamic mathematical modeling of a novel dual-type industrial ethylene oxide (EO) reactor. Chemical Engineering Research and Design, 91(6), 1123-1132. doi.org/10.1016/j.cherd.2012.12.003.
[3]. Talati, A., Haghighi, M., & Rahmani, F. (2018). Conversion of Ethane to Ethylene in the Presence of Carbon Dioxide over Cr-K/TiO2-ZrO2 Nanocatalyst Synthesized via Coprecipitation and Impregnation Methods. Journal of Petroleum Research, 26(95-6), 174-187.
[4]. Rahmani, F., & Haghighi, M. (2017). Influence of Various Types of Zeolitic Supports on Catalytic Properties and Performance of Cr-Based Nanocatalysts Used in C2H6/CO2 Oxidative Dehydrogenation Process. Nashrieh Shimi va Mohandesi Shimi Iran, 36(1), 65-81.
[5]. Delir, K. N. P., Haghighi, M., Jodeiri, N., & Rahmani, F. (2017). Comparative Synthesis of Ni/Z25M75 Nanocatalyst via Impregnation and Sol-Gel Methods Used in Conversion of Ethane to Ethylene in the Presence of CO2 and O2.
[6]. Rahmani, F., & Haghighi, M. (2017). One-Pot Hydrothermal Synthesis of Nanostructured LaAPSO-34 Molecular Sieve and Sono-dispersion of Cr over it Used in Conversion of Ethane to Ethylene in the Presence of Carbon Dioxide. Journal of Petroleum Research, 26(95-5), 88-103.
[7]. Mederos, F. S., Elizalde, I., & Ancheyta, J. (2009). Steady‐state and dynamic reactor models for hydrotreatment of oil fractions: a review. Catalysis Reviews, 51(4), 485-607. doi.org/10.1080/01614940903048612.
[8]. Quina, M. J., Almeida-Costa, A. C., & Quinta-Ferreira, R. M. (2007). Fixed-bed reactor modeling and simulation with e-learning tools. In International Conference on Engineering Education, Coimbra, Portugal.
[9]. Gu, Y. L., Gao, Z., & Jin, J. Q. (2003). Kinetic models for ethylene oxidation to ethylene oxide. Petrochem. Technol, 32, 838-840.
[10]. Bayat, M., Hamidi, M., Dehghani, Z., & Rahimpour, M. R. (2013). Dynamic optimal design of an industrial ethylene oxide (EO) reactor via differential evolution algorithm. Journal of Natural Gas Science and Engineering, 12, 56-64. doi: 10.1016/j.jngse.2013.01.004.
[11]. Zhou, X. G., & Yuan, W. K. (2005). Optimization of the fixed-bed reactor for ethylene epoxidation. Chemical Engineering and Processing: Process Intensification, 44(10), 1098-1107. doi.org/10.1016/j.cep.2005.03.008.
[12]. S. Ghaffari, M. Shahrokhi, Modeling and Control of an Ethylene Oxide Reactor.
[13]. Babanejadi, S. M., Najafi, M., Hamidi, A., & Sadeghvandi, F. (2023). Simulation of Polypropylene Production Loop Reactor. doi.org/10.22078/pr.2023.5166.3298.
[14]. Montrasi, G. L., Tauszik, G. R., Solari, M., & Leofanti, G. (1983). Oxidation of ethylene to ethylene oxide: catalyst deactivation in an industrial run. Applied Catalysis, 5(3), 359-369. doi: 10.1016/0166-9834(83)80163-8.
[15]. Perzon, H. (2015). A Simulation Model of a reactor for Ethylene Oxide production.
[16]. Hoflund, G. B., & Minahan, D. M. (1996). Study of Cs-Promoted, α-Alumina-Supported Silver, Ethylene-Epoxidation Catalysts: II. Effects of Aging. Journal of Catalysis, 162(1), 48-53. doi.org/10.1006/jcat.1996.0258.
[17]. Bartholomew, C. H. (2001). Mechanisms of catalyst deactivation. Applied Catalysis A: General, 212(1-2), 17-60. doi:10.1016/S0926-860X(00)00843-7.
Journal of Petroleum Research
Volume 36, Issue 1 - Serial Number 146
May and June 2026
Pages 146-161

XML
PDF 1.05 M
Supplementary File
9.pdf
9.pdf