文献类型：期刊文献

英文题名：Structure-resolved CFD simulations to guide catalyst packing of selective NO reduction

作者：Chen, Hao[1];Shi, Yao[1];Li, Zhao[1];Yu, Jian[2];Duan, Xuezhi[1]

机构：[1]East China Univ Sci & Technol, State Key Lab Chem Engn, 130 Meilong Rd, Shanghai 200237, Peoples R China;[2]Chinese Acad Sci, Inst Proc Engn, State Key Lab Multiphase Complex Syst, Beijing 100190, Peoples R China

年份：2022

卷号：446

外文期刊名：CHEMICAL ENGINEERING JOURNAL

收录：;EI(收录号：20222112131888);WOS:【SCI-EXPANDED(收录号:WOS:000807019600004)】；

基金：Acknowledgements This work was financially supported by the Natural Science Foun-dation of China (22038003, 21922803, 22178100 and 21776077) , the Innovation Program of Shanghai Municipal Education Commission, the Program of Shanghai Academic/Technology Research Leader (21XD1421000) .

语种：英文

外文关键词：Selective catalytic reduction; Structure-resolved CFD simulation; Optimization of catalyst macrostructure; Catalyst packing

摘要：In this work, monolith and packing structures with different particle shapes (cylinder, sphere, trilobe and Raschig ring) are compared to boost selective catalytic reduction (SCR) of NO reaction. The three-dimension structureresolved reactor model is established to evaluate the influence of mass transfer and NO reaction performance in different industrial applications. The simulation results show that monolithic catalysts shift from transition regime to reaction-controlled regime, while the cylinder-resolved catalysts shift from diffusion-controlled regime to transition regime as the reaction temperature decreases from 240 to 160 degrees C for SCR of NO. The monolithic catalyst with excellent mass transfer capacity and the catalyst with cylinder packing structure with high bulk density exhibit highest NO removal efficiency in the coking plant (-240 degrees C) and boiler system (-160 degrees C), respectively. The catalyst with Raschig ring packing structure exhibits the highest NO removal efficiency in the waste incineration plant (-200 degrees C) due to the compromise of reaction-diffusion behavior. A strategy of catalyst structures selection for SCR of NO reaction at different industrial applications based on the reaction-diffusion interaction is proposed, which could shed new light on boosting selective catalytic reduction of NO reaction.