Modeling and Simulation of Partial Oxidation of Methanol to Formaldehyde on FeO/MoO3 Catalyst in a Catalytic Fixed Bed Reactor

Document Type : Research Article


Department of Chemical and Petroleum Engineering, University of Lagos, Lagos, NIGERIA


A two-dimensional mathematical model was developed for a porous heterogeneous catalytic fixed bed reactor. The model took into account the effect of heat generated by adsorption of reactants on the catalyst surface and heat transfer from the fluid phase to the surroundings which have a significant effect on reactor performance, especially at reactor hotspot. The developed model predicted the partial oxidation of methanol to formaldehyde on FeO/MoO3 catalyst, a complex reaction system. Excellent agreement was achieved when the resultant simulated results were compared with experimental data in the literature. The proposed model predicted the location of the hotspot at a dimensionless distance of 0.4413 (= 0.0309 m) the same as the experiment value but with a temperature of 619 K compared with an experimental value of 622 K. The conventional heterogeneous and pseudo-homogeneous models predicted the hotspot temperature to be about 8 K and 34 K lower than the experimental value respectively.


Main Subjects

[1] Kursawe A., “Partial Oxidation of Ethene in Microchannel Reactor. Catalytic Pellet Reactor”, Ph.D. Thesis, Technische Universiat Chemnizt, Fakulat fur Naturwissenschat, (2009).
[2] LL’in H., Luss D., Wrong-Way Behaviour of Packed Bed Reactors: Influence of Reactant Adsorption on Support, AIChE. Journal, 38: 1609-1617 (1992).
[3] Bolis V.,” Fundamentals in Adsorption at the Solid-Gas Interface, Concepts and Thermodynamics”. CA.  Aurox (Ed.) Springer-Verlag Berlin Heidelberg, (2013).
[4] Ahmed A., Fahien R.W., Tubular Reactor Design I, Two Dimensional Model, Chemical Engineering Science, 35: 889-895 (1978).
[5] Linke D., Wolf D., Baerns M., Zeyb S., Dingerdissen U., Mleczko, L., Catalytic Partial Oxidation of Ethane to Acetic Acid over Mo1V0.25Nb0.12Pd0.0005Ox ; Reactor Operation, Chemical Engineering Science,57: 39-51 (2002).
[6] Aboudheir A., Akande A., Idem R., Dalai A., Experimental Studies and Comprehensive Reactor Modelling of Hydrogen by Catalytic Reforming of Crude Ethanol in a Packed Bed Tubular Reactor over a Ni/Al2O3 Catalysts, International Journal of Hydrogen Energy, 31: 752-761 (2006).
[8] Jess A., Kern, C., Modelling of Multi-Tubular Reactor for Fischer Tropsch Synthesis, Chemical Engineering Technology, 35: 1164-1175 (2009).
[9] Suh J., Lee M., Greif R., Grogoropoulos C.P., Transport Phenomena in a Steam-Methanol Reforming Microreactor with Internal Heating, International Journal of Hydrogen Energy,34: 314 – 322 (2009).
[10] Lassak P., Labovsky J., Jelemensky L., Influence of Parameter Uncertainty in Modelling of Industrial ammonia Reactor for Safety and Operability Analysis, Journal of Loss Prevention in the Process Industries,35:  280-288 (2010).
[11] Vasco de Toledo E.C., Morais E.R., Melo D.N.C., Mariano A.P., Meyer Jao F.C. A., Maciel Filho R., Suiting Dynamic Models of Fixed-Bed Catalytic Reactors for Computer Based Applications, Engineering, 3: 778-785 (2011).
[12] Mahinsa P., Sadeghi M.T., Ganji H., Shokri S., Modeling and Sensitivity Analyses of Hydrodesulfurization Catalyst Pellet, Petroleum and Coal,54(2): 104 –109(2012).
[13] Sadooghi P., Rauch R., Pseudo-homogeneous Modeling of Catalytic Methane Reforming Process in a Fixed Bed Reactor, Journal of Natural Gas Science and Engineering,11: 46-51 (2013).
[14] Fischer K.L., Langer M.R., Freund H., Dynamic Carbon Dioxide Methanation in a Wall-Cooled Fixed Bed reactor: Comparative Evaluation of Reactor ModelsInd. Res. Chem. Res., 58(42): 19406-19420 (2019).
[15] Liu Q.S., Zhang Z.L., Zhou J.L.,  Steady State and Dynamic Behaviour of Fixed Bed Catalytic Reactor for Fischer-Tropsch Synthesis I: Mathematical Model and Numerical MethodJournal of Natural Gas Chemistry, 8(2): 137-180 (1999).
[16] Celia X., “Catalytic Pellet Reactor Design under Uncertainty”, Laboratory for Product and Process Design  (LPPD). Project Final Report, University of Illinois at Chicago, (2005).
[17] Cornelio A.A., Dynamic Modeling of an Industrial Ethylene Oxide Reactor, Indian Chemical Engineering. Section A, 48(3): 117-135 (2006).
[18] Vasco de Toledo E.C., Morais E.R., Stremel D.P., Meyer F.C. A., Maciel Filho R., Development of Rigorous and Reduced Heterogeneous Dynamic Models for Fixed Bed Catalytic Reactor and Three-Phase Catalytic Slurry Reactor, Chemical Products and Process Modelling,3: 1-45 (2008).
[19] Windes L. C., Schwedock M. J., Ray W.H., Steady State and Dynamic Modeling of a Packed Bed Reactor for the Partial Oxidation of Methanol to Formaldehyde I. Model Development, Chemical Engineering Communication, 78:1-43 (1989).
[20] Zhu J., Araya S. S., Cui X., Sahlin S.L., Kaer S.K., Modeling and Design of a Multi-Tubular Packed-Bed Reactor for Methanol Steam Reforming over a Cu/ZnO/Al2O3 Catalyst, Energies, 13: 610-635 (2020).
[21] Bendjaouahdou C., Bendjaouahdou M. H., Control of the Hotspot Temperature in an Industrial SO2 Converter, Energy Procedia, 36: 428-443 (2013).