{"title":"在 HY 和 CuBr2/HY 沸石催化剂存在下合成甲基叔丁基醚的动力学模型","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":"98 11","pages":"2512 - 2517"},"PeriodicalIF":0.7000,"publicationDate":"2024-10-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"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\":\"98 11\",\"pages\":\"2512 - 2517\"},\"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}","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
摘要
以具有分层结构的 HY 沸石（HYmmm）以及沉积在 HYmmm 上的 CuBr2 为催化剂体系为催化剂，研究了叔丁醇与甲醇分子间脱水合成甲基叔丁基醚的动力学模型。根据实验数据构建了一个动力学模型，并开发了一个多阶段化学转化方案。动力学模型基于作用表面定律，并考虑了催化剂表面的吸附和解吸过程。以全局优化问题的形式解决了逆问题，从而确定了动力学模型的参数--动力学常数和活化能。
Kinetic Model of the Synthesis of Methyl-tert-Butyl Ethers in the Presence of HY and CuBr2/HY Zeolite Catalysts
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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