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All Journal Bulletin of Chemical Reaction Engineering & Catalysis
Zahraa Al-Auda
Department of Chemical Engineering, The University of Technology, Baghdad, 10066
Chemical Engineering, Chemistry & Bioengineering Chemistry

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Production of Butane from Methyl Ethyl Ketone over Pt/Al2O3 Zahraa Al-Auda; Keith L. Hohn
Bulletin of Chemical Reaction Engineering & Catalysis 2023: BCREC Volume 18 Issue 1 Year 2023 (April 2023)
Publisher : Masyarakat Katalis Indonesia - Indonesian Catalyst Society (MKICS)

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.9767/bcrec.16693

Abstract

Methyl ethyl ketone (MEK) was catalytically converted to butane directly in one step over platinum (Pt) supported on alumina (Al2O3). The reaction was performed in the gas phase in a fixed bed reactor. Conversion of MEK to butane was achieved by hydrogenation of MEK to 2-butanol, dehydration of 2-butanol to butene, and further hydrogenation of butene to butane. The results showed that butane can be produced with selectivity reaching 95% depending on the operating conditions. The highest selectivity for butane was obtained at 220 °C and a H2/MEK molar ratio of 15. Copyright © 2023 by Authors, Published by BCREC Group. This is an open access article under the CC BY-SA License (https://creativecommons.org/licenses/by-sa/4.0). 
Theoretical Study of Methane Dissociation on Pt(111) Surface Using Density Functional Theory (DFT) Calculations Zahraa Al-Auda; Keith L. Hohn
Bulletin of Chemical Reaction Engineering & Catalysis 2023: BCREC Volume 18 Issue 3 Year 2023 (October 2023)
Publisher : Masyarakat Katalis Indonesia - Indonesian Catalyst Society (MKICS)

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.9767/bcrec.19788

Abstract

In this work, methane (CH4) dissociation on Pt(111) surface dissociation was studied based on density functional theory (DFT) calculations to evaluate the nature of adsorption and to calculate the rate constant. The most stable configurations for H and CH3 were tested on the surface of Pt(111), and the results displayed that H tends to be adsorbed at the fcc site while CH3 tends to be adsorbed at the top site. The energy of barrier and rate constant of reaction were calculated and found to be (2.28 eV) and (3.21007E−08 s−1) respectively. In addition, the adsorption energy for the reactant and products to investigate the nature of adsorption of the reactant and products on Pt(111) surface either physisorption or chemisorption. The results showed that the kind of adsorption of CH4 adsorbed on the surface of Pt(111) at top site is physisorption, while CH3 and H species adsorption on the Pt(111) surface is chemisorption. Copyright © 2023 by Authors, Published by BCREC Group. This is an open access article under the CC BY-SA License (https://creativecommons.org/licenses/by-sa/4.0). 
Co-Authors Keith L. Hohn Keith L. Hohn