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Quantum-Chemical and Experimental Investigation of the Catalytic Activity of Nanosized Particles of Nickel-Promoted Molybdenum Disulfide in the Hydroconversion Process
Abstract The paper is devoted to the investigation of the catalytic properties of nickel-promoted molybdenum disulfide nanoparticles in the hydroconversion process. The formation of Mo and Ni compounds under hydroconversion conditions has been studied using chemical thermodynamics methods. Quantum-chemical calculations in the cluster approximation have confirmed the catalytic activity of Mo n Ni m S p nanoparticles in the reactions of hydrogen activation and aromatic-ring hydrogenation. It has been shown that the main role in the activation of hydrogen and the hydrogenation of aromatic rings is played by Mo- and Ni-containing active sites of the catalyst, respectively. To confirm theoretical assumptions, the yield of products of fuel oil hydroconversion on nanosized particles of the catalyst, nickel-promoted and in situ formed molybdenum disulfide, has been investigated. It has been shown that the promotion with nickel enhances the hydrogenating functions of the molybdenum-containing catalyst and lowers coke formation during hydroconversion.
Quantum-Chemical and Experimental Investigation of the Catalytic Activity of Nanosized Particles of Nickel-Promoted Molybdenum Disulfide in the Hydroconversion Process
Abstract The paper is devoted to the investigation of the catalytic properties of nickel-promoted molybdenum disulfide nanoparticles in the hydroconversion process. The formation of Mo and Ni compounds under hydroconversion conditions has been studied using chemical thermodynamics methods. Quantum-chemical calculations in the cluster approximation have confirmed the catalytic activity of Mo n Ni m S p nanoparticles in the reactions of hydrogen activation and aromatic-ring hydrogenation. It has been shown that the main role in the activation of hydrogen and the hydrogenation of aromatic rings is played by Mo- and Ni-containing active sites of the catalyst, respectively. To confirm theoretical assumptions, the yield of products of fuel oil hydroconversion on nanosized particles of the catalyst, nickel-promoted and in situ formed molybdenum disulfide, has been investigated. It has been shown that the promotion with nickel enhances the hydrogenating functions of the molybdenum-containing catalyst and lowers coke formation during hydroconversion.
Quantum-Chemical and Experimental Investigation of the Catalytic Activity of Nanosized Particles of Nickel-Promoted Molybdenum Disulfide in the Hydroconversion Process
Kadiev, Kh. M. (author) / Gyul’maliev, A. M. (author) / Kadieva, M. Kh. (author) / Khadzhiev, S. N. (author) / Batov, A. E. (author)
Petroleum Chemistry ; 58 ; 638-645
2018-07-17
8 pages
Article (Journal)
Electronic Resource
English
| Springer Verlag | 2015