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Thermodynamic and quantum chemical study of the transformations and operation mechanism of molybdenum catalysts under hydrogenation conditions

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Abstract

Structural transformations and the mechanism of the operation of molybdenum-containing catalysts under hydrogenation conditions have been studied by chemical thermodynamics and quantum chemistry methods, as well as the role of sulfur compounds in this process. It has been shown that molybdenum disulfide, an effective hydrogenation catalyst, is produced via the reaction of molybdenum oxide with hydrogen sulfide, not elemental sulfur. It has been concluded that the introduction of elemental sulfur (which is subsequently converted into hydrogen sulfide) or an organic sulfur compound into the reaction system, on one hand, facilitates the transformation of molybdenum oxides into MoS2 and, on the other hand, yields the effective reagent H2S, which takes part in the disproportionation reactions involving hydrogen transfer.

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Authors and Affiliations

  1. Topchiev Institute of Petrochemical Synthesis, Russian Academy of Sciences, Leninskii pr. 29, Moscow, 119991, Russia

    Kh. M. Kadiev, A. M. Gyul’maliev, M. Ya. Shpirt & S. N. Khadzhiev

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  1. Kh. M. Kadiev
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  2. A. M. Gyul’maliev
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  3. M. Ya. Shpirt
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  4. S. N. Khadzhiev
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Correspondence to Kh. M. Kadiev.

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Original Russian Text © Kh.M. Kadiev, A.M. Gyul’maliev, M.Ya. Shpirt, S.N. Khadzhiev, 2010, published in Neftekhimiya, 2010, Vol. 50, No. 4, pp. 324–329.

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Kadiev, K.M., Gyul’maliev, A.M., Shpirt, M.Y. et al. Thermodynamic and quantum chemical study of the transformations and operation mechanism of molybdenum catalysts under hydrogenation conditions. Pet. Chem. 50, 312–318 (2010). https://doi.org/10.1134/S0965544110040092

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  • DOI: https://doi.org/10.1134/S0965544110040092

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