Chawanwit Kumsapaya, Karan Bobuatong, Pipat Khongpracha, Yuthana Tantirungrotechai and Jumras Limtrakul. Kenichi Dedachi, Yasuyuki Ishikawa, Taisuke Nakatsu, Takayuki Natsume, Takayuki Tsukamoto, Noriyuki Kurita. ONIOM Study of Isomerization Reactions of Aromatic Hydrocarbons in Acidic Mordenite Zeolite. Refinement of the supramolecular concept in methanol-to-olefin catalysis. Article Views are the COUNTER-compliant sum of full text article downloads since November 2008 (both PDF and HTML) across all institutions and individuals. Structures and mechanisms of the dehydration of benzaldoxime over Fe-ZSM-5 zeolites: a DFT study. Dobrowolski, Jacek Kijeński. Users are Berichte der deutschen chemischen Gesellschaft, Manfred Weber, Markus Weber et Michael Kleine-Boymann, Ullmann's Encyclopedia of Industrial Chemistry, https://fr.wikipedia.org/w/index.php?title=Procédé_au_cumène&oldid=166633164, licence Creative Commons attribution, partage dans les mêmes conditions, comment citer les auteurs et mentionner la licence. Patipan Charoenwiangnuea, Thana Maihom, Pipat Kongpracha, Jakkapan Sirijaraensre, Jumras Limtrakul. Insight into the reaction mechanism and charge transfer analysis for the alkylation of benzene with propylene over H-beta zeolite. Step of Cumene Oxidation to Cumene Hydroperoxide The cumene oxidation reaction follows the radical chain mechanism. Jordi Toda, Avelino Corma, and German Sastre . Par la suite, le groupe phényle migre du carbone benzylique vers l'atome d'oxygène adjacent avec élimination d'une molécule d'eau, produisant un carbocation tertiaire stabilisé par mésomérie. Application of QM simulations and multivariate analysis in the study of alkene reactivity in the zeolite H-ZSM5. Structures and Reaction Mechanisms of Cumene Formation via Benzene Alkylation with Propylene in a Newly Synthesized ITQ-24 Zeolite:  An Embedded ONIOM Study, Laboratory for Computational and Applied Chemistry, Department of Chemistry, Faculty of Science, Kasetsart University, Bangkok 10900, Thailand, and Center of Nanotechnology, Kasetsart University Research and Development Institute, Kasetsart University, Bangkok 10900, Thailand. Citations are the number of other articles citing this article, calculated by Crossref and updated daily. Tables giving the optimized structures of isolated reactants, adsorption complexes, intermediates, transition states, and products for the consecutive and associative reaction pathways. Your Mendeley pairing has expired. Diffusion of Trimethylbenzenes and Xylenes in Zeolites with 12- and 10-Ring Channels as Catalyst for Toluene-Trimethylbenzene Transalkylation. Theoretical Study of Reaction Mechanism of Cyclohexene Aromatization over H-ZSM-5 Zeolite. ( Isoprophyl benzene ) Cumene O 2 Cumene hydroperoxide As is known, phenol can be produced from cumene. Weerayuth Panyaburapa,, Tanin Nanok, and, Jumras Limtrakul. E-mail:  [email protected]. http://pubs.acs.org/page/copyright/permissions.html. Marin, M. Waroquier. This article is cited by redistribute this material, requesters must process their own requests via the RightsLink permission La dernière modification de cette page a été faite le 22 janvier 2020 à 23:08. Structure and Reaction Mechanism of Alkylation of Phenol with Methanol over H-FAU Zeolite:  An ONIOM Study. Son nom provient du cumène, de formule C6H5CH(CH3)2, produit intermédiaire de cette synthèse. Jing Shi, Yangdong Wang, Weimin Yang, Yi Tang, Zaiku Xie. Dans ce procédé, le benzène et le propylène sont comprimés ensemble à une pression de 30 atm et à une température de 250 °C en présence d'un acide de Lewis servant de catalyseur. Recent advances of pore system construction in zeolite-catalyzed chemical industry processes. Insight into the stereoselectivity of TS-1 in epoxidation of from the ACS website, either in whole or in part, in either machine-readable form or any other form Il a été découvert en 1944 par Heinrich Hock[1] et peut-être de façon indépendante dès 1942 par R. Ūdris et P. Sergeyev en URSS[2]. Yanyan Guo, Xiaoxiao Du, Liying Liu, Yichun Dong, Zhigang Lei. Theoretical study of olefin protonation reactions confined inside mordenite zeolite by energy decomposition analysis. A DFT study. I. Page, Miho Hatanaka, Galina P. Petrova, Travis V. Harris, Xin Li, Zhuofeng Ke, Fengyi Liu, Hai-Bei Li, Lina Ding, and Keiji Morokuma . Theoretical Study on Structures and Reaction Mechanisms of Ethylene Oxide Hydration over H-ZSM-5: Ethylene Glycol Formation. Dobrowolski. the Altmetric Attention Score and how the score is calculated. Genkuo Nie, Guozhu Li, Decheng Liang, Xiangwen Zhang. The Altmetric Attention Score is a quantitative measure of the attention that a research article has received online. Effect of the Zeolite Nanocavity on the Reaction Mechanism of n-Hexane Cracking: A Density Functional Theory Study. Role of zeolite catalysts for benzene removal from gasoline via alkylation: A review. Thana Maihom, Sippakorn Wannakao, Bundet Boekfa, Jumras Limtrakul. Epoxidation Reaction of Unsaturated Hydrocarbons with H2O2 over Defect TS-1 Investigated by ONIOM Method:  Formation of Active Sites and Reaction Mechanisms. Cumene is an organic compound that we can obtain by the Friedel-Crafts alkylation of benzene with propylene. 2 Please reconnect. cis Le mécanisme de cette étape est semblable à celui de l'oxydation de Baeyer-Villiger ainsi qu'à l'étape d'oxydation de l'hydroboration. The electrostatic potential from the extended zeolite framework shows a much more significant contribution to the transition state selectivity than the van der Waals interactions. Previous Question Next Question. Files available from the ACS website may be downloaded for personal use only. O DECOMPOSITION ON DIFFERENT TYPES OF FE-ZEOLITES (Fe-FER, Fe-BEA, Fe-ZSM-5 AND Fe-FAU): A COMBINED THEORETICAL AND EXPERIMENTAL STUDY. Upon oxidation of cumene in presence of air, cumene hydroperoxide is obtained. Please note: If you switch to a different device, you may be asked to login again with only your ACS ID. The benzene alkylation step is the reaction rate-determining step with an estimated activation energy of 35.70 kcal/mol, comparable with an experimental report in β-zeolite of 34.9 kcal/mol. When an alkaline solution of cumene (isopropyl benzene or 2-Phenylpropane) in sodium carbonate is oxidised by passing air or oxygen in the presence of cobalt naphthenate as a catalyst at 423 K, cumene hydroperoxide is obtained. Thana Maihom, Michael Probst, Jumras Limtrakul. De Moor, Marie-Françoise Reyniers, Marek Sierka, Joachim Sauer and Guy B. Marin . Mechanism of alkylation of toluene by ethene over Na atoms and Na2 molecules. Thana Maihom, Supawadee Namuangruk, Tanin Nanok and Jumras Limtrakul . Journal of Molecular Catalysis A: Chemical. Find more information about Crossref citation counts. Youngchul Byun, Donghui Jo, Dong Nam Shin, and Suk Bong Hong . The contributions of the short-range van der Waals interactions, which are explicitly included in the ONIOM2 model, and an additional long-range electrostatic potential from the extended zeolite framework to the energy profile are taken into consideration. It is found that benzene alkylation with propylene in the ITQ-24 zeolite prefers to occur through the consecutive reaction mechanism. 4 2007 THE CUMENE PROCESS FOR PHENOL… L'essentiel de la production mondiale d'acétone et de phénol repose de nos jours sur cette méthode ; près de 7 millions de tonnes de phénol étaient produits en 2003 par ce procédé[3]. Reaction mechanism of benzene alkylation with propylene catalyzed by HZSM-5 zeolite and H-Beta zeolite. In this … Density functional study of the activity of gold-supported ZSM-5 zeolites for nitrous oxide decomposition. Auto oxidation: Cumene hydroperoxide on heating with dilute H 2 SO 4 decomposes forming phenol and acetone. not otherwise permitted to reproduce, republish, redistribute, or sell any Supporting Information Find more information about Crossref citation counts. Na L'hydroperoxyde de cumène est ensuite hydrolysé en milieu acide — réarrangement de Hock — pour donner de l'acétone et du phénol. Ce procédé convertit deux composés relativement bon marché, le benzène et le propylène, en deux produits industriels majeurs, le phénol et l'acétone. Find more information on the Altmetric Attention Score and how the score is calculated. Process Optimization on Alkylation of Benzene with Propylene. / Ce radical est converti en molécule d'hydroperoxyde de cumène C6H5C(CH3)2OOH par capture de l'hydrogène tertiaire benzylique d'une autre molécule de cumène, laquelle est convertie en radical cumène : On maintient pendant ces réactions une pression de 5 atm afin de s'assurer que l'hydroperoxyde de cumène, instable, demeure liquide. Shiying ZUO, Danhong ZHOU, Jue REN, Fengjiao WANG. system. Jakkapan Sirijaraensre, Jumras Limtrakul. Both consecutive and associative reaction pathways are examined. 42 publications. Zhigang Lei, Chengna Dai, Yuli Wang and Biaohua Chen. Preparation of phenol from cumene: a. L'acide sulfurique H2SO4 est traditionnellement utilisé pour acidifier le milieu réactionnel, mais on a montré en 2009 que la bentonite acidifiée, une argile colloïdale, est un catalyseur meilleur marché pour y parvenir. Reaction Mechanisms of the Methylation of Ethene with Methanol and Dimethyl Ether over H-ZSM-5: An ONIOM Study.

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