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沸石催化1-甲基萘异构化的研究。

Study of the zeolite-catalyzed isomerization of 1-methylnaphthalene.

作者信息

Xing Shiyong, Cui Yan, Zhang Fenglin, Su Jianbin, Xu Kan, Liu Xiaofei, Chen Ziheng, Zhao Yuehua, Han Minghan

机构信息

Beijing Special Engineering Design and Research Institute Beijing 100028 China

Beijing Key Laboratory of Green Chemical Reaction Engineering and Technology, Department of Chemical Engineering, Tsinghua University Beijing 100084 P. R. China

出版信息

RSC Adv. 2024 Dec 3;14(52):38335-38344. doi: 10.1039/d4ra05881j.

Abstract

Isomerization of 1-methylnaphthalene (1-MN) to 2-methylnaphthalene (2-MN) is a crucial step in the production of 2,6-dimethylnaphthalene (2,6-DMN), which is an important raw material for polyethylene naphthalate (PEN). Herein, the isomerization of 1-MN was systemically investigated over beta zeolite. Firstly, reaction conditions were systemically optimized, by which enhanced catalytic performance was obtained. Thereafter, the effect of nitride on the catalytic performance was investigated using a series of characterization techniques and DFT calculations, revealing that firm adsorption of nitride on acid sites was the main reason for catalyst deactivation. Activity of the deactivated catalyst was difficult to recover extraction with hot benzene. Fortunately, catalytic performance could be effectively recovered through coke-burning, wherein the framework and acid sites were well-preserved during calcination.

摘要

1-甲基萘(1-MN)异构化为2-甲基萘(2-MN)是生产2,6-二甲基萘(2,6-DMN)的关键步骤,2,6-二甲基萘是聚萘二甲酸乙二醇酯(PEN)的重要原料。在此,对β沸石上1-MN的异构化反应进行了系统研究。首先,对反应条件进行了系统优化,从而获得了增强的催化性能。此后,使用一系列表征技术和密度泛函理论(DFT)计算研究了氮化物对催化性能的影响,结果表明氮化物在酸性位点上的牢固吸附是催化剂失活的主要原因。失活催化剂的活性难以通过热苯萃取恢复。幸运的是,通过烧炭可以有效恢复催化性能,其中在煅烧过程中骨架和酸性位点得到了很好的保留。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2620/11614096/19f679e89b75/d4ra05881j-f1.jpg

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