Correlation of oxygen chemisorption and thiophene hydrogenolysis on Co-Mo-Al2O3-catalysts

Uchytil, Jan; ́nek, Ludvi ́k Bera; ́, Hana Zahradni ́kova; Kraus, M.

doi:10.1016/0166-9834(82)80105-x

Cited by 6 publications

(2 citation statements)

References 13 publications

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“…That is why the hydrogenation reaction is often followed by the hydrogenolysis reaction. Various models have been proposed for active sites in hydrogenation and hydrogenolysis reaction on molybdenum sulfide catalyst [1][2][3]. The role played by edge and basal sites of the sulfide in both oxygen chemisorption and in hydrogenation is still moot although the question has been often investigated [4][5][6].…”

Section: Introductionmentioning

confidence: 99%

<b>The ab initio study of the catalytic hydrogenation of the oxirene</b>

Mensah

Kuevi

2008

Bull. Chem. Soc. Eth.

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The oxirene is an unsaturated heterocyclic molecule with one oxygen atom and two carbon atoms. Its hydrogenation has been performed on two catalytic site based on molybdenum disulfide (MoS2) and tungsten disulfide (WS2) of MoS3H3 + and WS3H3 + type, respectively. The calculations were carried out using the SCF and MP2 methods and B3LYP functional calculations. The results obtained showed that the hydrogenation of the oxirene is possible on these two kinds of catalytic sites on the one hand, and the reaction product is the acetaldehyde molecule, on the other hand. The reaction process study that led to the results showed that the catalytic hydrogenation of the oxirene is a dissociative process. On the basis of the variation of some parameters during the process, a mechanism of the reaction has been proposed.

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Section: Introductionmentioning

confidence: 99%

<b>The ab initio study of the catalytic hydrogenation of the oxirene</b>

Mensah

Kuevi

2008

Bull. Chem. Soc. Eth.

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show abstract

“…The dissociative adsorption of oxygen requires two vacancies and since NO adsorbs as a dimer with twice the stoichiometry of 0^ adsorption, this necessitates that these vacancies be adjacent. Recall that linear relationships between O2 and NO uptake and HDS activity have been observed(57)(58)(59)(60). If the methyl group of the CHgS moiety does not diffuse across the sulfur anions, then the formation of methyl sulfide (at high methanethiol/ hydrogen ratios) seen in this study and byWilson and Kemball (77) requires two methanethiol molecules to adsorb on adjacent sites since adsorbed sulfur does not diffuse between vacancies (52).…”

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confidence: 99%