{"title":"Kinetic Model of the Synthesis of Methyl-tert-Butyl Ethers in the Presence of HY and CuBr2/HY Zeolite Catalysts","authors":"A. A. Usmanova, K. F. Koledina, I. M. Gubaidullin","doi":"10.1134/S0036024424701693","DOIUrl":null,"url":null,"abstract":"<p>The kinetic model of the synthesis of methyl-<i>tert-</i>butyl ethers by intermolecular dehydration of <i>tert</i>-butanol with methanol using HY zeolite with a hierarchical structure as a catalyst (HY<sub>mmm</sub>), as well as a catalyst system based on CuBr<sub>2</sub> deposited on HY<sub>mmm</sub>, is considered. A kinetic model was constructed and a multistage scheme of chemical transformations was developed based on the experimental data. The kinetic model is based on the law of acting surfaces with allowance for adsorption and desorption processes on the catalyst surface. The inverse problem was solved in the form of a global optimization problem, which made it possible to determine the parameters of the kinetic model—the kinetic constants and activation energies.</p>","PeriodicalId":767,"journal":{"name":"Russian Journal of Physical Chemistry A","volume":null,"pages":null},"PeriodicalIF":0.7000,"publicationDate":"2024-10-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Russian Journal of Physical Chemistry A","FirstCategoryId":"92","ListUrlMain":"https://link.springer.com/article/10.1134/S0036024424701693","RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q4","JCRName":"CHEMISTRY, PHYSICAL","Score":null,"Total":0}
引用次数: 0
Abstract
The kinetic model of the synthesis of methyl-tert-butyl ethers by intermolecular dehydration of tert-butanol with methanol using HY zeolite with a hierarchical structure as a catalyst (HYmmm), as well as a catalyst system based on CuBr2 deposited on HYmmm, is considered. A kinetic model was constructed and a multistage scheme of chemical transformations was developed based on the experimental data. The kinetic model is based on the law of acting surfaces with allowance for adsorption and desorption processes on the catalyst surface. The inverse problem was solved in the form of a global optimization problem, which made it possible to determine the parameters of the kinetic model—the kinetic constants and activation energies.
期刊介绍：
Russian Journal of Physical Chemistry A. Focus on Chemistry (Zhurnal Fizicheskoi Khimii), founded in 1930, offers a comprehensive review of theoretical and experimental research from the Russian Academy of Sciences, leading research and academic centers from Russia and from all over the world.
Articles are devoted to chemical thermodynamics and thermochemistry, biophysical chemistry, photochemistry and magnetochemistry, materials structure, quantum chemistry, physical chemistry of nanomaterials and solutions, surface phenomena and adsorption, and methods and techniques of physicochemical studies.
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