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On the Mechanism of Sulfur Removal during Hydroconversion in the Presence of a Catalyst MoS2

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An Erratum to this article was published on 01 May 2021

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Abstract

The practical and theoretical aspects of the conversion of sulfur-containing components during the hydroconversion of heavy oil feedstock in the presence of nanosized MoS2-based catalytic systems are considered. Thermodynamic calculation of the temperature dependences of the equilibrium composition of the products of hydrogenation reactions of sulfur-containing compounds demonstrated that thiophene is the most stable product in a wide temperature range. Quantum-chemical techniques have shown that chemisorption of a hydrogen molecule on valence-unsaturated Mo atoms brings about the breaking of the H–H bond, migration of H atoms to other valence-unsaturated Mo atoms, as well as to S atoms. The study of the interaction of the Н2S molecule with the Mo2S4 and Mo3S6 clusters showed that the chemisorption of Н2S occurs on the valence unsaturated Mo atoms, followed by the abstraction and migration of the Н atoms over the cluster surface, and the unsaturated S atom plays the role of a donor, hydrogen carrier. It was shown that sulfur-containing compounds (mercaptans, thiophene, and dibenzothiophene) are also chemisorbed through S atoms on valence-unsaturated Mo atoms located on the faces of MoS2 clusters.

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REFERENCES

  1. Khadzhiev, S.N., Kadiev, Kh.M., Kadieva, M.Kh., Petrol. Chem., 2014, vol. 54, no. 5, pp. 323–346. https://doi.org/10.1134/S0965544114050065 

    Article  CAS  Google Scholar 

  2. Khadzhiev, S.N., Kadiev, Kh.M., Yampolskaya, G.P., and Kadieva, M.Kh., Adv. Colloid Interface Sci., 2013, vol. 197–198, pp. 132–145. https://doi.org/10.1016/j.cis.2013.05.003

    Article  CAS  PubMed  Google Scholar 

  3. Kadiev, Kh.M., Khadzhiev, S.N., and Kadieva, M.Kh., Petrol. Chem., 2013, vol. 53, no. 5, pp. 298–308. https://doi.org/10.1134/S0965544113050034 

    Article  CAS  Google Scholar 

  4. Tomina, N.N., Pimerzin, A.A., and Moiseev, I.K., Ros. khim. zhurn., 2008, vol. LII, no. 4, pp. 41–52.

    Google Scholar 

  5. Nikul'shin, P.A., Tomina, N.N., and Pimerzin, A.A., Izv. vuzov. Khimiya i khim. tekhnologiya, 2007, vol. 50, no. 9, pp. 54–57.

    CAS  Google Scholar 

  6. Krebs, E., Daudin, A., and Raybaud, P., Oil Gas Sci. Technol., 2009, vol. 64, no. 6, pp. 707–718. https://doi.org/10.2516/ogst/2009004

    Article  CAS  Google Scholar 

  7. Nikul’shin, P.A., Eremina, Yu.V., Tomina, N.N., and Pimerzin, A.A., Petrol. Chem., 2006, vol. 46, no. 5, pp. 343–348. https://doi.org/10.1134/S0965544106050070 

    Article  Google Scholar 

  8. Butyrskaya, E.V. and Nechaeva, L.S., Komp'yuternaya khimiya (Computer Chemistry), Voronezh: Izd.-poligraf. tsentr Voronezh. Gos. Univ, 2011.

    Google Scholar 

  9. Tsirel’son, V.G., Kvantovaya khimiya molekuly, molekulyarnye sistemy i tverdye tela (Quantum Chemistry Molecules, Molecular Systems and Solids), Moscow: BINOM. Laboratoriya znanii, 2010.

    Google Scholar 

  10. http://www.hsc-chemistry.net/sait programmnogo paketa HSC Chemistry, 2020.

  11. Breysse, M., Djega-Mariadassou, G., Pessayre, S., Geantet, C., Vrinat, M., Perot, G., and Lemaire, M., Catal. Today, 2003, vol. 84, pp. 129–138. https://doi.org/10.1016/S0920-5861(03)00266-9

    Article  CAS  Google Scholar 

  12. Kalechits, I.V., Khimiya gidrogenizatsionnykh protsessov v pererabotke topliv (Chemistry of Hydrogenation Processes in Fuel Processing), Moscow: Khimiya, 1973, pp. 240–255.

    Google Scholar 

  13. Qing, T. and Deen, J., Chem. Mater., 2015, vol. 27, pp. 3743–3748. https://doi.org/10.1021/acs.chemmater.5b00986

    Article  CAS  Google Scholar 

  14. Khadzhiev, S.N., Kadiev, Kh.M., Gulmaliev, A.M., and Kadieva, M.Kh., Petrol. Chem., 2017, vol. 57, no. 14, pp. 1277–1286. https://doi.org/10.1134/S0965544117140043

    Article  Google Scholar 

  15. Dumeignil, F., Paul, J.-F., Veilly, E., Qian, E.W., Ishihara, A., Payen, E., and Kabe, T., Appl. Catal. A: General, 2005, vol. 289, pp. 51–58. https://doi.org/10.1016/j.apcata.2005.04.025

    Article  CAS  Google Scholar 

  16. Cristol, S., Paul, J.-F., Payen, E., Bougeard, D., Hutschka, F., and Clemendot, S., J. Catal., 2004, vol. 224, pp. 138–147. https://doi.org/10.1016/j.jcat.2004.02.008

    Article  CAS  Google Scholar 

  17. Kogan, V.M. and Isaguliants, G.V., Catal. Today, 2008, vol. 130, no. 1, pp. 243–248. https://doi.org/10.1016/j.cattod.2007.07.02

    Article  CAS  Google Scholar 

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Funding

The study was carried out on the basis of the Institute of Petrochemical Synthesis of the Russian Academy of Sciences with a grant from the Russian Science Foundation.

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Authors and Affiliations

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

    Kh. M. Kadiev, A. M. Gyul’maliev & M. Kh. Kadieva

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  1. Kh. M. Kadiev
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  2. A. M. Gyul’maliev
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  3. M. Kh. Kadieva
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Correspondence to Kh. M. Kadiev.

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Translated from Zhurnal Prikladnoi Khimii, No. 4, pp. 525–534, January, 2021 https://doi.org/10.31857/S0044461821040125

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Kadiev, K.M., Gyul’maliev, A.M. & Kadieva, M.K. On the Mechanism of Sulfur Removal during Hydroconversion in the Presence of a Catalyst MoS2. Russ J Appl Chem 94, 518–527 (2021). https://doi.org/10.1134/S1070427221040121

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