Influence of Steric Factors on the Processes of Hydrogenation of 1-Methylnaphthalene and Dehydrogenation of 1-Methyldecalin for Hydrogen Storage

IF 2.3 4区化学 Q3 CHEMISTRY, PHYSICAL Catalysis Letters Pub Date : 2025-02-12 DOI:10.1007/s10562-025-04949-2

Anna V. Vasilieva, Alexander N. Kalenchuk, Teng He, Leonid M. Kustov

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Abstract

The conditions for producing 1-methyldecalin with different ratio of cis- and trans-isomers during hydrogenation of 1-methylnaphthalene on a 3%Pt/C catalyst have been studied. A comparison of the dehydrogenation parameters of the obtained 1-methyldecaline samples in a flow-type unit depending on the contact time of the substrate with the 1%Pt/C catalyst has been carried out. On the basis of experimental data, the formal values of the equilibrium constants of the elementary acts of the dehydrogenation reaction were estimated using the computer program of mathematical modeling of complex reaction kinetics KINET 0.8. The obtained results indicate a significant influence on the efficiency of the dehydrogenation reaction not only of the type of ring isomerism (cis- and trans-) in the condensed bicyclic system, but also of the direction of the methyl substituent in one of the six-membered cycles (syn- or anti-).

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研究了在 3%Pt/C 催化剂上氢化 1-甲基萘的过程中生产具有不同顺式和反式异构体比例的 1-甲基萘酚的条件。根据底物与 1%Pt/C 催化剂的接触时间，比较了在流动式装置中获得的 1-甲基萘酚样品的脱氢参数。根据实验数据，使用 KINET 0.8 复杂反应动力学数学建模计算机程序估算了脱氢反应基本行为的平衡常数形式值。结果表明，不仅缩合双环体系中的环异构类型（顺式和反式）对脱氢反应的效率有重大影响，而且六元循环之一中的甲基取代基的方向（顺式或反式）也对脱氢反应的效率有重大影响。

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来源期刊

Catalysis Letters 化学-物理化学

CiteScore

5.70

自引率

3.60%

发文量

327

审稿时长

1 months

期刊介绍： Catalysis Letters aim is the rapid publication of outstanding and high-impact original research articles in catalysis. The scope of the journal covers a broad range of topics in all fields of both applied and theoretical catalysis, including heterogeneous, homogeneous and biocatalysis. The high-quality original research articles published in Catalysis Letters are subject to rigorous peer review. Accepted papers are published online first and subsequently in print issues. All contributions must include a graphical abstract. Manuscripts should be written in English and the responsibility lies with the authors to ensure that they are grammatically and linguistically correct. Authors for whom English is not the working language are encouraged to consider using a professional language-editing service before submitting their manuscripts.