Analysis and prediction of denitration performance of Mn1Co0.5Cr0.5Ox catalyst based on CFD and BP-GA method

doi:10.1016/j.cjche.2024.09.024

中国化学工程学报 ›› 2025, Vol. 77 ›› Issue (1): 225-235.DOI: 10.1016/j.cjche.2024.09.024

Analysis and prediction of denitration performance of Mn₁Co_0.5Cr_0.5O_x catalyst based on CFD and BP-GA method

Zhihui Li, Haixia Li, Zhiheng Song, Yun Zhang, Yuxuan Jing, Anchao Zhang, Zhijun Sun

School of Mechanical and Power Engineering, Henan Polytechnic University, Jiaozuo 454000, China

收稿日期:2024-05-07 修回日期:2024-09-25 接受日期:2024-09-26 出版日期:2025-01-28 发布日期:2024-11-05
通讯作者: Haixia Li,E-mail:lihx@hpu.edu.cn
基金资助:
This work was supported by Science and Technology Research Project of Henan Province (242102230078), Key Research Project of Higher Education Institutions of Henan Province (23A470002), and Innovative Research Team of Henan Polytechnic University (T2020-3).

Analysis and prediction of denitration performance of Mn₁Co_0.5Cr_0.5O_x catalyst based on CFD and BP-GA method

Zhihui Li, Haixia Li, Zhiheng Song, Yun Zhang, Yuxuan Jing, Anchao Zhang, Zhijun Sun

School of Mechanical and Power Engineering, Henan Polytechnic University, Jiaozuo 454000, China

Received:2024-05-07 Revised:2024-09-25 Accepted:2024-09-26 Online:2025-01-28 Published:2024-11-05
Contact: Haixia Li,E-mail:lihx@hpu.edu.cn
Supported by:
This work was supported by Science and Technology Research Project of Henan Province (242102230078), Key Research Project of Higher Education Institutions of Henan Province (23A470002), and Innovative Research Team of Henan Polytechnic University (T2020-3).

摘要/Abstract

摘要： Based on the experimental data of Mn₁Co_0.5Cr_0.5O_x catalysts and the component transport model in computational fluid dynamics (CFD), a kinetic model for the standard NH₃-SCR (NH₃ selective catalytic reduction) process was effectively established. The objective of the model development was to predict the denitrification reaction rate of the catalyst, which incorporates various factors such as the Arrhenius parameters (pre-exponential factor and activation energy), inertial resistance, viscous resistance, and surface-to-volume ratio. To verify the practicability of the model, simulation results were compared with actual experimental data. The effects of NH₃, NO, O₂ concentrations, and gas hourly space velocity (GHSV) on NO conversion were simulated and analyzed. Subsequently, the NO conversion prediction model was trained and established using a combination of numerical simulation results, back-propagation neural network, and genetic algorithm (BP-GA). Furthermore, the significance of the impact that various factors had on the denitrification activity of the catalyst was determined.

关键词: NH₃-SCR, BP-GA, Mn₁Co_0.5Cr_0.5O, Species transport modeling, Porous zone

Abstract: Based on the experimental data of Mn₁Co_0.5Cr_0.5O_x catalysts and the component transport model in computational fluid dynamics (CFD), a kinetic model for the standard NH₃-SCR (NH₃ selective catalytic reduction) process was effectively established. The objective of the model development was to predict the denitrification reaction rate of the catalyst, which incorporates various factors such as the Arrhenius parameters (pre-exponential factor and activation energy), inertial resistance, viscous resistance, and surface-to-volume ratio. To verify the practicability of the model, simulation results were compared with actual experimental data. The effects of NH₃, NO, O₂ concentrations, and gas hourly space velocity (GHSV) on NO conversion were simulated and analyzed. Subsequently, the NO conversion prediction model was trained and established using a combination of numerical simulation results, back-propagation neural network, and genetic algorithm (BP-GA). Furthermore, the significance of the impact that various factors had on the denitrification activity of the catalyst was determined.

Key words: NH₃-SCR, BP-GA, Mn₁Co_0.5Cr_0.5O, Species transport modeling, Porous zone

Zhihui Li, Haixia Li, Zhiheng Song, Yun Zhang, Yuxuan Jing, Anchao Zhang, Zhijun Sun. Analysis and prediction of denitration performance of Mn₁Co_0.5Cr_0.5O_x catalyst based on CFD and BP-GA method[J]. 中国化学工程学报, 2025, 77(1): 225-235.

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Analysis and prediction of denitration performance of Mn₁Co_0.5Cr_0.5O_x catalyst based on CFD and BP-GA method

Analysis and prediction of denitration performance of Mn₁Co_0.5Cr_0.5O_x catalyst based on CFD and BP-GA method

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[1]	Yaoyao Peng, Lei Song, Siru Lu, Ziyu Su, Kui Ma, Siyang Tang, Shan Zhong, Hairong Yue, Bin Liang. Superior resistance to alkali metal potassium of vanadium-based NH₃-SCR catalyst promoted by the solid superacid SO₄^2--TiO₂[J]. 中国化学工程学报, 2023, 55(3): 246-256.
[2]	Dongqi An, Yuyao Yang, Weixin Zou, Yandi Cai, Qing Tong, Jingfang Sun, Lin Dong. Insight into the promotional mechanism of Cu modification towards wide-temperature NH₃-SCR performance of NbCe catalyst[J]. 中国化学工程学报, 2022, 50(10): 301-309.
[3]	Zhihao Yi, Jie Sun, Jigang Li, Tian Zhou, Shouping Wei, Hongjia Xie, Yulin Yang. High efficient removal of HCN over porous CuO/CeO₂ micro-nano spheres at lower temperature range[J]. 中国化学工程学报, 2021, 38(10): 155-164.