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An overview of modeling studies in HDS, HDN and HDO catalysis

Robert J. Angelici
- 01 Jan 1997 - 
- Vol. 16, Iss: 18, pp 3073-3088
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TLDR
In this paper, the authors highlight organometallic and clean surface model studies that offer realistic ways of understanding details of hydrodesulfurization, hydrodenitrogenation, and hydrodeoxygenation reactions as they occur on heterogeneous hydrotreating catalysts.
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This article is published in Polyhedron.The article was published on 1997-01-01. It has received 166 citations till now. The article focuses on the topics: Hydrodenitrogenation & Hydrodeoxygenation.

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Citations
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The hydrogenation and direct desulfurization reaction pathway in thiophene hydrodesulfurization over MoS2 catalysts at realistic conditions: A density functional study

TL;DR: In this article, density functional theory (DFT) calculations of reaction pathways for both the hydrogenation (HYD) and direct desulfurization (DDS) routes in the HDS of thiophene over the different MoS 2 edge structures are presented.
Journal ArticleDOI

Hydrodenitrogenation of Petroleum

TL;DR: In this article, it was shown that at least four different catalytic sites are required to interpret experimental observations in contrast with a dual site site concept, which only considered two sites.
Journal ArticleDOI

Selection of catalysts and reactors for hydroprocessing

TL;DR: In this article, the performance of the catalysts and the type of reaction unit can be influenced by the selection of the catalyst and the reaction type to suit a particular feed, such as high asphaltene and high metal content feeds.
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Elemental Composition Analysis of Processed and Unprocessed Diesel Fuel by Electrospray Ionization Fourier Transform Ion Cyclotron Resonance Mass Spectrometry

TL;DR: In this paper, electrospray ionization was found to ionize selectively basic pyridine homologues, responsible for deactivation of hydrotreatment catalysts and instability of fuels during storage.
References
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Book

Heterogeneous catalysis in industrial practice

TL;DR: In this article, the use of solid catalysts and catalytic reactions in large-scale industrial operations is discussed in terms of chemistry, kinetics and engineering of heterogeneous catalysis, listing applications to procedures and processes in the lab, pilot plant and commercial setting.
Journal ArticleDOI

Reactivities, reaction networks, and kinetics in high-pressure catalytic hydroprocessing

TL;DR: A critical review of the literature of catalytic hydroprocessing reactions can be found in this article, where the authors present thermodynamic, reactivity, reaction network and kinetic data of hydrogenation of aromatic hydrocarbons, hydrodesulfurization, hydrodenitrogenation and hydrodeoxygenation.
Journal ArticleDOI

Hydrodesulfurization catalysis by transition metal sulfides

TL;DR: The primary effect in the hydrodesulfurization of dibenzothiophene by transition metal sulfides is related to the position the metal occupies in the periodic table.
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