Mathematical Modeling and Calculation of the Methanol Production Process via Carbon Dioxide Hydrogenation
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ematical Modeling and Calculation of the Methanol Production Process via Carbon Dioxide Hydrogenation M. V. Magomedovaa, A. V. Starozhitskayaa, M. I. Afokina, *, I. V. Perovb, M. A. Kipnisa, and G. I. Lina aTopchiev bGubkin
Institute of Petrochemical Synthesis, Russian Academy of Sciences, Moscow, 119991 Russia Russian State University of Oil and Gas (National Research University), Moscow, 119991 Russia *e-mail: [email protected] Received July 8, 2020; revised July 8, 2020; accepted July 13, 2020
Abstract—This work is devoted to the mathematical modeling and calculation of the hydrogenation reaction of carbon dioxide to produce methanol using kinetic models developed with taking into account different understandings of the reaction mechanism; in particular, the Graaf and Rozovskii–Lin mechanisms are considered. It has been shown that under flow conditions, both models designed for describing the reaction of methanol production from synthesis gas fairly accurately describe the CO2 hydrogenation reaction. Under recycle flow conditions, a more accurate description of the product yield with changes in pressure and temperature can be obtained using a model based on the Graaff mechanism. Keywords: CO2 hydrogenation, methanol synthesis, kinetics modeling, reactor modeling, recycle flow mode DOI: 10.1134/S0965544120110146
Carbon dioxide utilization is currently a topical issue throughout the world. For example, the European Union is actively pursuing a policy of reducing CO2 emissions from gas processing plants and oil refineries by switching to hydrogen-rich fuel mixtures, especially in border areas. On the other hand, CO2 can be used in next-generation energy-chemical complexes according to the Allam cycle principle [1]. Another option for reducing the concentration of CO2 in the air is the development of technologies for its utilization into various products, for example, methanol, the main high-production-volume intermediate of petrochemical industries, from which dimethyl ether, formaldehyde, acetic acid, methylamine, lower olefins, methyl formate, etc. can be obtained. The hydrogenation reaction of СО2 is carried out at a pressure of 3.0–5.0 MPa and a temperature of 240– 300°C with the use of catalysts that are close in composition to industrial catalysts for methanol synthesis [2, 3]. The main components of these catalysts are copper and zinc oxides, which are promoted with a number of metals—Zr, Ce, Al, Si, V, Ti, Ga, B, Cr— to improve stability [4, 5]. Currently, the bulk of research in this area is devoted to the study of the activity of new catalytic systems developed for the process, for example, Cu/ZrO2–In2O3¸ Cu/CeO2, Pd/ZnO-Si [6]. There are almost no data on kinetic studies in the literature [7–9]. In this context, the modeling of the CO2 hydrogenation reaction in order to optimize the process is an
important task for the development of domestic technology of utilizing CO2 from flue gases of various compositions. The purpose of this work was to explore the possibility of applying mathematical models desc
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