Mechanism of the Reductive Dehydration of Ethanol into C3+ Alkanes over the Commercial Alumina—Platinum Catalyst AP-64 Full article
Journal |
Kinetics and Catalysis
ISSN: 0023-1584 , E-ISSN: 1608-3210 |
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Output data | Year: 2016, Volume: 57, Number: 1, Pages: 95-103 Pages count : 9 DOI: 10.1134/S0023158416010134 | ||||||||
Tags | alumina - platinum catalysts, density functional theory, reductive dehydration of ethanol | ||||||||
Authors |
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Affiliations |
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Funding (1)
1 | Russian Science Foundation | 15-13-30034 |
Abstract:
The mechanism of the reductive dehydration of ethanol (RDE) into C3+ alkanes over the commercial alumina—platinum catalyst AP-64 has been investigated. The catalyst pre-reduction time has an effect on the conversion of ethanol and on that of ethylene, a possible intermediate compound in the RDE reaction. Over the catalyst reduced for 12 h, ethanol turns into a C3-C12 alkane fraction and ethylene turns into a C3-C12 olefin fraction, whose yields are 39.0 and 31.4%, respectively. Energetic parameters of ethanol chemisorption and conversion on a Pt6Al4 cluster have been determined by the density functional theory method using the PRIRODA 13 program. Ethanol dehydration into ethylene proceeds via the successive breaking of C-H and C-O bonds, and the rate-determining step of the process depends on the atom (Pt or Al) to which the OH group of the alcohol is coordinated. Hydroxyl group transfer from the Pt atom to the nearest Al atom is energetically favorable here. It is hypothesized that the main role of the metal-containing cluster is donation of chemisorbed ethylene to the nearest acid sites, on which the ethylene oligomerizes into a C3-C10 hydrocarbon fraction.
Cite:
Zavelev D.E.
, Chistyakov A.V.
, Zhidomirov G.M.
, Gubanov M.A.
, Tsodikov M.V.
, Moiseev I.I.
Mechanism of the Reductive Dehydration of Ethanol into C3+ Alkanes over the Commercial Alumina—Platinum Catalyst AP-64
Kinetics and Catalysis. 2016. V.57. N1. P.95-103. DOI: 10.1134/S0023158416010134 WOS Scopus РИНЦ
Mechanism of the Reductive Dehydration of Ethanol into C3+ Alkanes over the Commercial Alumina—Platinum Catalyst AP-64
Kinetics and Catalysis. 2016. V.57. N1. P.95-103. DOI: 10.1134/S0023158416010134 WOS Scopus РИНЦ
Original:
Завелев Д.Е.
, Чистяков А.В.
, Жидомиров Г.М.
, Губанов М.А.
, Цодиков М.В.
, Моисеев И.И.
Особенности механизма восстановительной дегидратации этанола в алканы С3+ в присутствии промышленного алюмоплатинового катализатора АП-64
Кинетика и катализ. 2016. Т.57. №1. С.97-105. DOI: 10.7868/S0453881116010135 РИНЦ
Особенности механизма восстановительной дегидратации этанола в алканы С3+ в присутствии промышленного алюмоплатинового катализатора АП-64
Кинетика и катализ. 2016. Т.57. №1. С.97-105. DOI: 10.7868/S0453881116010135 РИНЦ
Dates:
Submitted: | Jul 7, 2015 |
Published print: | Jan 1, 2016 |
Published online: | Mar 30, 2016 |
Identifiers:
Web of science | WOS:000373228300012 |
Scopus | 2-s2.0-84962142351 |
Elibrary | 27145533 |
Chemical Abstracts | 2016:506874 |
Chemical Abstracts (print) | 165:462356 |
OpenAlex | W2319559345 |