文献类型：期刊文献

英文题名：Multi-Scale Modelof Radial Reactor for Xylene IsomerizationIntegrating Kinetics and CFD Validated by Long-Term Data

作者：Zhu, Chaoqing[1];Ye, Lei[1];Ma, Mingxuan[1];Liu, Shuang[1];Situ, Caoquan[1];Han, Xin[2];Pu, Xin[3];Zhao, Jigang[1];Yang, Qiang[2];Liu, Jichang[1,3]

机构：[1]East China Univ Sci & Technol, State Key Lab Green Chem Engn & Ind Catalysis, Shanghai 200237, Peoples R China;[2]East China Univ Sci & Technol, Sch Mech & Power Engn, Shanghai 200237, Peoples R China;[3]Shihezi Univ, Sch Chem & Chem Engn, Shihezi 832003, Xinjiang, Peoples R China

年份：2026

卷号：65

期号：28

起止页码：14862

外文期刊名：INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

收录：;EI(收录号：20263021160263);Scopus(收录号：2-s2.0-105045394636);WOS:【SCI-EXPANDED(收录号:WOS:001815944400001)】；

基金：This work was financially supported by Xinjiang Major Science and Technology Project (No. 2025A01008), the National Natural Science Foundation of China (No. U22B20141, 22578281 and 22508121), and Shanghai Sailing Program of China (No. 23YF1409200).

语种：英文

外文关键词：Catalyst deactivation - Computational geometry - Flow of fluids - Heat transfer - High temperature operations - Isomerization - Isomers - Kinetics - Mass transfer - Reaction kinetics - Simulated annealing - Xylene

摘要：Radial reactors are widely adopted in xylene isomerization due to their low pressure drop and high throughput, though their extended operational cycles also present challenges. This study integrates computational fluid dynamics (CFD) with molecular-level reaction kinetics (MRK), incorporates a genetic simulated annealing (GSA) algorithm, and systematically accounts for reactor geometry, internal fluid flow, heat and mass transfer mechanisms, along with catalyst deactivation kinetics, to establish a multiscale CFD-MRK hybrid model. Through rigorous validation with over two years of long-term industrial data, the model demonstrates high predictive accuracy and robustness for both concentration and temperature fields. Furthermore, the model delineates the distribution of core molecules across the reactor and identifies a potential high-temperature zone near the bottom head of the catalyst bed. Validation results confirm that the developed CFD-MRK model can serve as an effective numerical tool for molecular management and long-term stable operation in industrial isomerization processes.