Comparative Simulation of Axial and Radial Fixed-Bed Reactors for Dimethyl Oxalate Synthesis
Zhengqi Jiao
Institute of Henan Energy Group Co., Ltd., Zhengzhou, 450003 China
Zhengzhou Green and Low-carbon Chemical Energy Material Engineering Technology Research Center, Zhengzhou, 450003 China
Search for more papers by this authorDr. Lihong Zhao
Institute of Henan Energy Group Co., Ltd., Zhengzhou, 450003 China
Zhengzhou Green and Low-carbon Chemical Energy Material Engineering Technology Research Center, Zhengzhou, 450003 China
Search for more papers by this authorCorresponding Author
Dr. Xu Liang
Institute of Henan Energy Group Co., Ltd., Zhengzhou, 450003 China
Zhengzhou Green and Low-carbon Chemical Energy Material Engineering Technology Research Center, Zhengzhou, 450003 China
E-mail: [email protected]; [email protected]
Search for more papers by this authorCorresponding Author
Dr. Yuanli Jiang
Institute of Henan Energy Group Co., Ltd., Zhengzhou, 450003 China
Zhengzhou University, Zhengzhou, 450001 China
E-mail: [email protected]; [email protected]
Search for more papers by this authorFeidong Xie
Henan Longyu Coal Chemical Co., Ltd., Yongcheng, 476600 China
Search for more papers by this authorZhenfeng Liu
Guizhou Qianxi Chemical Co., Ltd., Bijie, 551700 China
Search for more papers by this authorJinjun Xie
Shaanxi Woneng Chemical Technology Co., Ltd., Hanzhong, 723000 China
Search for more papers by this authorJiaomin Cai
Henan Zhongyuan Dahua Group Co., Ltd., Puyang, 457001 China
Search for more papers by this authorWei Zheng
Xinjiang Zhongkun New Materials Co., Ltd., Bayingol Mongol Autonomous Prefecture, 841009 China
Search for more papers by this authorZhengqi Jiao
Institute of Henan Energy Group Co., Ltd., Zhengzhou, 450003 China
Zhengzhou Green and Low-carbon Chemical Energy Material Engineering Technology Research Center, Zhengzhou, 450003 China
Search for more papers by this authorDr. Lihong Zhao
Institute of Henan Energy Group Co., Ltd., Zhengzhou, 450003 China
Zhengzhou Green and Low-carbon Chemical Energy Material Engineering Technology Research Center, Zhengzhou, 450003 China
Search for more papers by this authorCorresponding Author
Dr. Xu Liang
Institute of Henan Energy Group Co., Ltd., Zhengzhou, 450003 China
Zhengzhou Green and Low-carbon Chemical Energy Material Engineering Technology Research Center, Zhengzhou, 450003 China
E-mail: [email protected]; [email protected]
Search for more papers by this authorCorresponding Author
Dr. Yuanli Jiang
Institute of Henan Energy Group Co., Ltd., Zhengzhou, 450003 China
Zhengzhou University, Zhengzhou, 450001 China
E-mail: [email protected]; [email protected]
Search for more papers by this authorFeidong Xie
Henan Longyu Coal Chemical Co., Ltd., Yongcheng, 476600 China
Search for more papers by this authorZhenfeng Liu
Guizhou Qianxi Chemical Co., Ltd., Bijie, 551700 China
Search for more papers by this authorJinjun Xie
Shaanxi Woneng Chemical Technology Co., Ltd., Hanzhong, 723000 China
Search for more papers by this authorJiaomin Cai
Henan Zhongyuan Dahua Group Co., Ltd., Puyang, 457001 China
Search for more papers by this authorWei Zheng
Xinjiang Zhongkun New Materials Co., Ltd., Bayingol Mongol Autonomous Prefecture, 841009 China
Search for more papers by this authorAbstract
The catalytic co-coupling of carbon monoxide and methyl nitrite to synthesize dimethyl oxalate (DMO) is a crucial step in the conversion of syngas to ethylene glycol. Recent advancements in numerical simulation methodologies substantially enhanced the potential for optimizing chemical production processes, thereby improving cost effectiveness and efficiency. Numerical simulation techniques were applied to model a shell-and-tube reactor and a radial reactor. The distributions of pressure, velocity, reaction, and temperature fields were analyzed for both reactor configurations under similar operating conditions. The findings indicate that the radial reactor has different advantages, including a smaller volume, a more uniform temperature distribution, and a lower pressure drop, highlighting its potential benefits in the DMO synthesis process.
References
- 1L. Zhao, et al., Hydrogenation of Dimethyl Oxalate Using Extruded Cu/SiO2 Catalysts: Mechanical Strength and Catalytic Performance, Ind. Eng. Chem. Res. 2012, 51 (43), 13935–13943. DOI: https://doi.org/10.1021/ie300779a
- 2C. Fan, et al., Reaction mechanism of methyl nitrite dissociation during co-catalytic coupling to dimethyl oxalate: A density functional theory study, Chin. J. Chem. Eng. 2016, 24 (1), 132–139. DOI: https://doi.org/10.1016/j.cjche.2015.06.007
- 3R. Ye, et al., Perspectives on the Active Sites and Catalyst Design for the Hydrogenation of Dimethyl Oxalate, ACS Catal. 2020, 10 (8), 4465–4490. DOI: https://doi.org/10.1021/acscatal.9b05477
- 4Z. Chi, et al., CO oxidative coupling with nitrite to oxalate over palladium catalyst: A comprehensive kinetic modeling, Chem. Eng. J. 2022, 446, 136656. DOI: https://doi.org/10.1016/j.cej.2022.136656
- 5C. Wang, et al., Oxidative coupling of carbon monoxide to dimethyl oxalate: catalysts design, reaction mechanism and process intensification, Catal. Rev. 2024, 67 (2), 323–370. DOI: https://doi.org/10.1080/01614940.2024.2320165
- 6L. Yang, et al., Highly Effective Pd/MgO/-Al2O3 Catalysts for CO Oxidative Coupling to Dimethyl Oxalate: The Effect of MgO Coating on γ-Al2O3, ACS Appl. Mater. Interfaces 2021, 13 (24), 28064–28071. DOI: https://doi.org/10.1021/acsami.1c04051
- 7Z. Zhang, et al., Enhancing the activity of Pd/Zn-Al-O catalysts for esterification of CO to dimethyl oxalate via increasing oxygen defects by tuning the Zn/Al ratio, Catal. Sci. Technol. 2022, 12 (13), 4273–4280. DOI: https://doi.org/10.1039/d2cy00369d
- 8Z. Chi, et al., Reactor simulation and optimization for CO oxidative coupling to dimethyl oxalate reactions, CIESC J. 2022, 73 (11), 4974–4986.
- 9S. Chandra, et al., Design and modular scale-up of shell and tube metal hydride hydrogen storage reactor utilizing multipass water flow, Int. J. Hydrogen Energy 2024, 50, 1234–1252. DOI: https://doi.org/10.1016/j.ijhydene.2023.09.128
- 10F. Nalchifard, A. Sari, Thermal coupling of methanol steam reforming and hydrogen combustion to produce fuel cell hydrogen: A comparative theoretical study between membrane and hydrogen-recycled shell-and-tube reactors, Fuel 2024, 357, 129826. DOI: https://doi.org/10.1016/j.fuel.2023.129826
- 11Y. Li, et al., Computational fluid dynamics (CFD) simulation of CO2 methanation in a shell-and-tube reactor with boiling water cooling, Adv. Powder Technol. 2024, 35 (11), 104671. DOI: https://doi.org/10.1016/j.apt.2024.104671
- 12J. Fang, et al., CFD simulations of Molten Salt Fast Reactor core cavity flows, Nucl. Eng. Des. 2024, 424, 113294. DOI: https://doi.org/10.1016/j.nucengdes.2024.113294
- 13Y. Lin, et al., CFD simulation of the Sabatier process in a shell-and-tube reactor under local thermal non-equilibrium conditions: Parameter sensitivity and reaction mechanism analysis, Int. J. Hydrogen Energy 2022, 47 (34), 15254–15269. DOI: https://doi.org/10.1016/j.ijhydene.2022.03.029
- 14C. Hu, et al., A deep-learning model for predicting spatiotemporal evolution in reactive fluidized bed reactor, Renewable Energy 2024, 225, 120245. DOI: https://doi.org/10.1016/j.renene.2024.120245
- 15S. Liu, et al., Porous-media model based particle-resolved simulation of a fixed bed with olefin catalytic cracking reaction, Powder Technol. 2024, 431, 119099. DOI: https://doi.org/10.1016/j.powtec.2023.119099
- 16Z. Sun, et al., Numerical calculation of flow and reaction safety with different particle sizes in a fixed bed reactor for propene epoxidation with H2 and O2, Chem. Eng. Sci. 2023, 277, 118777. DOI: https://doi.org/10.1016/j.ces.2023.118777
- 17Z. Guo, et al., Acetylene Hydrogenation Processes Studied Using CFD in a Packed Bed Reactor, Chem. Eng. Technol. 2024, 47 (10), 202300436. DOI: https://doi.org/10.1002/ceat.202300436
- 18Q. Li, et al., An Analytical Formulation for Correcting the Relative Permeability of Gas-Water Flow in Propped Fractures Considering the Effect of Brinkman Flow, Water Resour. Res. 2024, 60 (11), e2023WR036625. DOI: https://doi.org/10.1029/2023wr036625
- 19L. Payne, J. Song, Spatial decay for a model of double diffusive convection in Darcy and Brinkman flows, Z. Angew. Math. Phys. 2000, 51 (6), 867–889. DOI: https://doi.org/10.1007/pl00001527
- 20Y. Du, et al., Core-shell equivalent reactor network model to bridging CFD and process simulations of a fluidized bed reactor, Chem. Eng. Sci. 2024, 287, 119772. DOI: https://doi.org/10.1016/j.ces.2024.119772
- 21Q. Guo, et al., A CFD-DEM study of the solid-like and fluid-like states in the homogeneous fluidization regime of Geldart A particles, AIChE J. 2022, 68 (1), 17420. DOI: https://doi.org/10.1002/aic.17420
- 22W. Wang, et al., Effect of fluid direction and reactor structure on heat storage performance of Ca(OH)2/CaO based on shell-tube thermochemical energy storage device, Renewable Energy 2024, 234, 121249. DOI: https://doi.org/10.1016/j.renene.2024.121249
- 23Y. Lin, et al., CFD simulation of the Sabatier process in a shell-and-tube reactor under local thermal non-equilibrium conditions: Parameter sensitivity and reaction mechanism analysis, Int. J. Hydrogen Energy 2022, 47 (34), 15254–15269. DOI: https://doi.org/10.1016/j.ijhydene.2022.03.029
- 24M. Farsi, Mathematical Modeling and Optimization of a Radial Flow Tubular Reactor to Produce Methanol from Syngas, Pet. Chem. 2018, 58 (12), 1091–1098. DOI: https://doi.org/10.1134/s0965544118100043
- 25M. Farsi, DME production in multi-stage radial flow spherical membrane reactors: Reactor design and modeling, J. Nat. Gas Sci. Eng. 2014, 20, 366–372. DOI: https://doi.org/10.1016/j.jngse.2014.07.009