文献类型：期刊文献

英文题名：Kinetics-guided intensification of the direct hydroxylation of benzene to dihydroxybenzenes in a microreactor

作者：Zhan, Wanbin[1];Jiang, Yingdi[1];Yang, Chao[2];Zhang, Jing[1];Xia, Changjiu[2];Qian, Gang[1];Duan, Xuezhi[1]

机构：[1]East China Univ Sci & Technol, State Key Lab Chem Engn & Low Carbon Technol, Shanghai 200237, Peoples R China;[2]Sinopec Res Inst Petr Proc, Beijing 100083, Peoples R China

年份：2026

卷号：533

外文期刊名：CHEMICAL ENGINEERING JOURNAL

收录：;EI(收录号：20261020200401);WOS:【SCI-EXPANDED(收录号:WOS:001709492900002)】；

基金：This work is financially supported by State Key Laboratory of Pe-troleum Molecular & Process Engineering (36800000-24-ZC0607-0110) , and the National Natural Science Foundation of China (22178101) .

语种：英文

外文关键词：Benzene hydroxylation; TS-1; Microreactor; Computational fluid dynamics; Dihydroxybenzenes

摘要：Direct, intensified hydroxylation of benzene to dihydroxybenzenes (DHBs) represents a streamlined and sustainable alternative to the conventional multi-step phenol-based routes. This work demonstrates the feasibility of this one-step route through a kinetics-guided reactor engineering strategy in a butterfly-shaped microreactor. Computational fluid dynamics (CFD) was first employed to design an optimal droplet-flow regime, which eliminated mass transfer limitations (quantitatively verified by Hatta number analysis, Ha < 0.3) and established a precise well-defined kinetic platform. Within this controlled environment, intrinsic kinetic analysis revealed the mechanistic origin of the high para-selectivity: a lower activation energy for hydroquinone formation (26.63 kJ/mol) versus catechol (33.96 kJ/mol). Leveraging this synergy between reactor hydrodynamics and catalyst kinetics, targeted process optimization achieved a benzene conversion of 50.8% with a combined DHBs selectivity of 79.4% at 75 degrees C. This study therefore establishes a continuous, intensified process for direct DHBs synthesis, underpinned by a generalizable strategy where reactor design is rationally tailored to unlock and exploit the intrinsic properties of the catalyst.