Mathematical Modeling of Thermally Coupled Cyclohexane Dehydrogenation and Nitrobenzene Hydrogenation Reactors

Ghani, Roozbeh; Habibi, Ali; Yazdanbakhsh, Amirhosein

doi:10.22059/jchpe.2022.337736.1380

Mathematical Modeling of Thermally Coupled Cyclohexane Dehydrogenation and Nitrobenzene Hydrogenation Reactors

Document Type : Research Paper

Authors

Roozbeh Ghani ¹

Ali Habibi ²

Amirhosein Yazdanbakhsh ³

¹ Department of Chemical Engineering, Amirkabir University of Technology, Tehran, Iran

² Research Institute of Engineering and Passive Defense, Imam Hossein University, Tehran, Iran

³ School of Chemical Engineering, College of Engineering, University of Tehran, Tehran, Iran

10.22059/jchpe.2022.337736.1380

Abstract

This work aims to develop a one-dimensional mathematical model for a novel multi - tubular thermally coupled reactor in the steady-state condition. The mentioned thermally coupled reactor includes the endothermic reaction of cyclohexane dehydrogenation in the inner tube and the exothermic hydrogenation reaction of nitrobenzene to aniline in the outer one. This research aims to use the generated heat by the exothermic process instead of the heat supplier equipment such as heaters and furnaces. Therefore, the proposed configuration acquires a remarkable reduction in energy consumption. Besides, the required hydrogen is provided for the hydrogenation reaction of nitrobenzene to aniline by the dehydrogenation reaction of cyclohexane in the same reactor. Furthermore, higher efficiency is achieved in the proposed configuration based on the heat transfer between the exothermic and endothermic sides of the thermally coupled reactor rather than the conventional reactors that operate under the same conditions as the thermally coupled reactor.

Keywords

Cyclohexane

Dehydrogenation

Nitrobenzene

Thermally Coupled Reactor

Modeling

Mukherjee S, Sensharma D, Qazvini OT, Dutta S, Macreadie LK, Ghosh SK, et al. Advances in adsorptive separation of benzene and cyclohexane by metal-organic framework adsorbents. Coordination Chemistry Reviews. 2021;437:213852.
Wang B, Froment GF. Dehydrogenation of cyclohexane on Pt (111) in a bulb reactor. Catalysis Letters. 2017;147(3):663-73.
Wang Z. Experimental and Kinetic Modeling Study of Cyclohexane and Its Mono-alkylated Derivatives Combustion: Springer Singapore; 2018.
Sharma S, Ghoshal SK. Hydrogen the future transportation fuel: From production to applications. Renewable and sustainable energy reviews. 2015;43:1151-8.
Huang X, Cant N, Wainwright M, Ma L. The dehydrogenation of methanol to methyl formate: Part I: Kinetic studies using copper-based catalysts. Chemical Engineering and Processing: Process Intensification. 2005;44(3):393-402.
Guo Y, Lu G, Mo X, Wang Y. Vapor phase dehydrogenation of methanol to methyl formate in the catalytic membrane reactor with Cu/SiO 2/ceramic composite membrane. Catalysis letters. 2005;99(1):105-8.
Yuan Y, Yuan N, Guo T, Bai H, Xia H, Ren Y, et al. Density functional theory study on the reaction mechanism of Ni+-catalysed cyclohexane dehydrogenation. Structural Chemistry. 2022;33(3):721-31.
Lu Z, Gao D, Yin H, Wang A, Liu S. Methanol dehydrogenation to methyl formate catalyzed by SiO2-, hydroxyapatite-, and MgO-supported copper catalysts and reaction kinetics. Journal of Industrial and Engineering Chemistry. 2015;31:301-8.
Tranfo G. Benzene and Its Derivatives: New Uses and Impacts on Environment and Human Health: Nova Publishers; 2012.
Akamatsu K, Ohta Y, Sugawara T, Hattori T, Nakao S-i. Production of hydrogen by dehydrogenation of cyclohexane in high-pressure (1− 8 atm) membrane reactors using amorphous silica membranes with controlled pore sizes. Industrial & engineering chemistry research. 2008;47(24):9842-7.
Jeong B-H, Sotowa K-I, Kusakabe K. Modeling of an FAU-type zeolite membrane reactor for the catalytic dehydrogenation of cyclohexane. Chemical Engineering Journal. 2004;103(1-3):69-75.
Davies J, Davies L, Nitrobenzene WTGoEHCf, Programme UNE, Organisation IL, Organization WH, et al. Nitrobenzene: World Health Organization; 2003.
Aniline Production from Nitrobenzene - Cost Analysis - Aniline E11A: Intratec Solutions; 2019.
Wang J, Du C, Wei Q, Shen W. Two-dimensional Pd nanosheets with enhanced catalytic activity for selective hydrogenation of nitrobenzene to aniline. Energy & Fuels. 2021;35(5):4358-66.
Morrissey C, He H. Silicene catalyzed reduction of nitrobenzene to aniline: A mechanistic study. Chemical Physics Letters. 2018;695:228-34.
Liu M, Zhu X, Chen R, Liao Q, Ye D, Zhang B, et al. Tube-in-tube hollow fiber catalytic membrane microreactor for the hydrogenation of nitrobenzene. Chemical Engineering Journal. 2018;354:35-41.
Zhang C, Chen H, Xue G, Liu Y, Chen S, Jia C. A critical review of the aniline transformation fate in azo dye wastewater treatment. Journal of Cleaner Production. 2021;321:128971.
Rappoport Z. The Chemistry of Anilines, Part 1: Wiley; 2007.
Wang J, Yuan Z, Nie R, Hou Z, Zheng X. Hydrogenation of nitrobenzene to aniline over silica gel supported nickel catalysts. Industrial & engineering chemistry research. 2010;49(10):4664-9.
Abo-Ghander NS, Logist F, Grace JR, Van Impe JF, Elnashaie SS, Lim CJ. Heterogeneous modeling of an autothermal membrane reactor coupling dehydrogenation of ethylbenzene to styrene with hydrogenation of nitrobenzene to aniline: Fickian diffusion model. Chemical Engineering and Processing: Process Intensification. 2014;77:50-65.
Yadav GD, Mewada RK. Novelties of azobenzene synthesis via selective hydrogenation of nitrobenzene over nano-fibrous Ag-OMS-2–Mechanism and kinetics. Chemical engineering journal. 2013;221:500-11.
Turáková M, Salmi T, Eränen K, Wärnå J, Murzin DY, Kralik M. Liquid phase hydrogenation of nitrobenzene. Applied Catalysis A: General. 2015;499:66-76.
Vakili R, Pourazadi E, Setoodeh P, Eslamloueyan R, Rahimpour M. Direct dimethyl ether (DME) synthesis through a thermally coupled heat exchanger reactor. Applied Energy. 2011;88(4):1211-23.
Farsi M. Optimal condition of radial flow moving bed reactors to enhance isobutene production through heat coupling of isobutane dehydrogenation and nitrobenzene hydrogenation. Journal of Natural Gas Science and Engineering. 2014;19:295-302.
Ghani R, Iranshahi D. Comparison of co-current and counter-current flow in a bifunctional reactor containing ammonia synthesis and 2-butanol dehydrogenation to MEK. International Journal of Hydrogen Energy. 2019;44(5):2905-17.
Kolios G, Frauhammer J, Eigenberger G. Autothermal fixed-bed reactor concepts. Chemical Engineering Science. 2000;55(24):5945-67.
Izurieta EM, Borio DO, Pedernera MN, López E. Parallel plates reactor simulation: ethanol steam reforming thermally coupled with ethanol combustion. international journal of hydrogen energy. 2017;42(30):18794-804.
Chen J, Yan L, Song W, Xu D. Comparisons between methane and methanol steam reforming in thermally integrated microchannel reactors for hydrogen production: a computational fluid dynamics study. International Journal of Hydrogen Energy. 2018;43(31):14710-28.
Wiranarongkorn K, Authayanun S, Assabumrungrat S, Arpornwichanop A. Analysis of thermally coupling steam and tri-reforming processes for the production of hydrogen from bio-oil. International Journal of Hydrogen Energy. 2016;41(41):18370-9.
Patel KS, Sunol AK. Modeling and simulation of methane steam reforming in a thermally coupled membrane reactor. International Journal of Hydrogen Energy. 2007;32(13):2344-58.
Chen J, Yan L, Song W, Xu D. Methane steam reforming thermally coupled with catalytic combustion in catalytic microreactors for hydrogen production. International Journal of Hydrogen Energy. 2017;42(1):664-80.
Javaid A, Bildea CS. Coupling exothermic and endothermic reactions—A pplication to combined aniline production/methyl‐cyclohexane dehydrogenation. Asia‐Pacific Journal of Chemical Engineering. 2018;13(4):e2210.
Abo-Ghander NS, Grace JR, Elnashaie SS, Lim CJ. Modeling of a novel membrane reactor to integrate dehydrogenation of ethylbenzene to styrene with hydrogenation of nitrobenzene to aniline. Chemical Engineering Science. 2008;63(7):1817-26.
Kariya N, Fukuoka A, Utagawa T, Sakuramoto M, Goto Y, Ichikawa M. Efficient hydrogen production using cyclohexane and decalin by pulse-spray mode reactor with Pt catalysts. Applied Catalysis A: General. 2003;247(2):247-59.
Koutsonikolas D, Kaldis S, Zaspalis V, Sakellaropoulos G. Potential application of a microporous silica membrane reactor for cyclohexane dehydrogenation. International journal of hydrogen energy. 2012;37(21):16302-7.
Amon B, Redlingshöfer H, Klemm E, Dieterich E, Emig G. Kinetic investigations of the deactivation by coking of a noble metal catalyst in the catalytic hydrogenation of nitrobenzene using a catalytic wall reactor. Chemical Engineering and Processing: Process Intensification. 1999;38(4-6):395-404.
Chidambaram M. Mathematical Modelling and Simulation in Chemical Engineering: Cambridge University Press; 2018.
Rasmuson A, Andersson B, Olsson L, Andersson R. Mathematical Modeling in Chemical Engineering: Cambridge University Press; 2014.
Cameron IT, Hangos K, Perkins J, Stephanopoulos G. Process Modelling and Model Analysis: Elsevier Science; 2001.
Verma AK. Process Modelling and Simulation in Chemical, Biochemical and Environmental Engineering: Taylor & Francis; 2014.
Jeong B-H, Sotowa K-I, Kusakabe K. Catalytic dehydrogenation of cyclohexane in an FAU-type zeolite membrane reactor. Journal of Membrane Science. 2003;224(1-2):151-8.