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New approach to active sites analysis of molybdenum-containing catalysts for hydrodesulfurization and hydrodenitrogenation based on inverse problem, fractal and site-type analyses

Paper ID Volume ID Publish Year Pages File Format Full-Text
53523 46973 2016 11 PDF Available
Title
New approach to active sites analysis of molybdenum-containing catalysts for hydrodesulfurization and hydrodenitrogenation based on inverse problem, fractal and site-type analyses
Abstract

•Analysis of active sites of Mo containing catalysts for HDS and HDN.•Inverse problem using Fredholm integral equation reveals active site distribution.•Fractal analysis applies to the active sites and the HDN activity.•A third active site for simultaneous desulfurization/hydrogenation for DMDBT.

A new approach to the active sites of Mo-containing catalysts for hydrodesulfurization and hydrodenitrogenation was studied by three methods, i.e., the inverse problem, fractal and site-type analyses. The distribution of the active sites of the sulfided and nitrided Mo/Al2O3 catalysts was studied based on the inverse problem using the Fredholm integral equation. The two active sites of the nitrided Mo/Al2O3 catalyst have a distribution involving the reaction rate and population; one site for a fast rate and large population and the other site for a slow rate and small population. The fractal analysis was applied to the morphology of the Mo nitride and the reactivity for the carbazole hydrodenitrogenation and related to the Mo0 or Moδ+ species. The fractal dimension of the Mo nitride surfaces was calculated to be from 2.02 to 2.60 and estimated the two active sites for the hydrogenation and denitrogenation. These sites were related to the Mo3+of γ-Mo2N from the XPS analysis. The active sites for the hydrodesulfurization of 4,6-dimethyldibenzothiophene on a sulfided NiMo/Al2O3 catalyst were discussed based on the site-type analysis. A third active site of the sulfided NiMo/Al2O3 catalyst was proposed for the simultaneous desulfurization and hydrogenation from 4,6-dimethyldibenzothiophene to 3,3-dimethylbicyclohexyl as well as the two active sites for the hydrogenation to 3-methylcyclohexyltoluene and the desulfurization to 3,3-dimethylbiphenyl.

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Keywords
Active site analysis; Inverse problem; Fractal; Site-type analysis; HDS; HDN; Mo nitride; NiMo/Al2O3
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New approach to active sites analysis of molybdenum-containing catalysts for hydrodesulfurization and hydrodenitrogenation based on inverse problem, fractal and site-type analyses
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Publisher
Database: Elsevier - ScienceDirect
Journal: Catalysis Today - Volume 271, 1 August 2016, Pages 91–101
Authors
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Subjects
Physical Sciences and Engineering Chemical Engineering Catalysis
Get Full-Text Now
Don't Miss Today's Special Offer
Price was $35.95
You save - $31
Price after discount Only $4.95
100% Money Back Guarantee
Full-text PDF Download
Online Support
Any Questions? feel free to contact us