Kinetic Modeling of Vacuum Gas Oil Hydrotreatment using a Molecular Reconstruction Approach

Charon-Revellin, Nadège; Dulot, Hugues; López-García, C.; José, Jacques

doi:10.2516/ogst/2010005

Cited by 23 publications

(16 citation statements)

References 26 publications

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“…It usually converts a heavy, low quality feedstock (VGO: vacuum gas oil) into lighter, valuable transportation fuels, contributing significantly to the overall profitability of the refinery [1]. In particular, Mild hydrocracking is a refining process operating at moderate H 2 pressure (40-120 bar) that insures deep hydrotreating (nitrogen and sulfur removal) of VGO-type feedstocks as well as moderate conversions (up to 50 wt%).…”

Section: Introductionmentioning

confidence: 99%

Dealing with uncertainties: Sensitivity analysis of vacuum gas oil hydrotreatment

Celse

Costa

Wahl

et al. 2015

Chemical Engineering Journal

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Section: Introductionmentioning

confidence: 99%

Dealing with uncertainties: Sensitivity analysis of vacuum gas oil hydrotreatment

Celse

Costa

Wahl

et al. 2015

Chemical Engineering Journal

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“…The SR-REM method was developed for and validated on LCO gas oils de Oliveira et al, 2012;López Abelairas et al, 2016) and was later extended to vacuum gas oils (Charon- Revellin et al, 2011;Verstraete et al, 2004) and VR (de Oliveira et al, 2014(de Oliveira et al, , 2013aVerstraete et al, 2010). Flow diagram of the SR method with the optimization loop.…”

Section: Examples Of Molecular Reconstruction Methodsmentioning

confidence: 99%

A Review of Kinetic Modeling Methodologies for Complex Processes

Oliveira

Hudebine

Denis

et al. 2016

Oil Gas Sci. Technol. – Rev. IFP Energies nouvelles

125

113

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-In this paper, kinetic modeling techniques for complex chemical processes are reviewed. After a brief historical overview of chemical kinetics, an overview is given of the theoretical background of kinetic modeling of elementary steps and of multistep reactions. Classic lumping techniques are introduced and analyzed. Two examples of lumped kinetic models (atmospheric gasoil hydrotreating and residue hydroprocessing) developed at IFP Energies nouvelles (IFPEN) are presented. The largest part of this review describes advanced kinetic modeling strategies, in which the molecular detail is retained, i.e. the reactions are represented between molecules or even subdivided into elementary steps. To be able to retain this molecular level throughout the kinetic model and the reactor simulations, several hurdles have to be cleared first: (i) the feedstock needs to be described in terms of molecules, (ii) large reaction networks need to be automatically generated, and (iii) a large number of rate equations with their rate parameters need to be derived. For these three obstacles, molecular reconstruction techniques, deterministic or stochastic network generation programs, and single-event micro-kinetics and/or linear free energy relationships have been applied at IFPEN, as illustrated by several examples of kinetic models for industrial refining processes.Résumé -Une revue de méthodes de modélisation cinétique pour des procédés complexesDans cet article, les techniques de modélisation cinétique des processus chimiques complexes sont examinées. Après un bref aperçu historique de la cinétique chimique, un aperçu des bases théoriques de la modélisation cinétique d'étapes élémentaires et de réactions globales est présenté. Les techniques classiques de regroupement (lumping) sont ensuite présentées et analysées. Deux exemples de modèles cinétiques regroupés (pour l'hydrotraitement de gazole atmosphérique et pour l'hydrotraitement de résidus) développés à IFP Energies nouvelles (IFPEN) sont présentés. La plus grande partie de cette revue décrit des stratégies avancées de modélisation cinétique, dans lesquelles le détail moléculaire est retenu : les réactions entre les molécules sont représentées ou même subdivisées en étapes élémentaires. Pour être en mesure de conserver ce niveau moléculaire à la fois dans le modèle cinétique et dans les simulations de réacteurs, plusieurs obstacles doivent d'abord être éliminés : (i) la charge doit être décrite en termes de molécules, (ii) les grands réseaux réactionnels doivent être générés automatiquement et (iii) un grand nombre d'équations de vitesse avec leurs paramètres de vitesse doit être dérivé. Pour ces trois obstacles, des techniques de reconstruction moléculaire, des programmes de génération de réseaux déterministes ou stochastiques, et des modèles microcinétiques basés sur des événements constitutifs (single events) et/ou des

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“…Hydroprocessing kinetic modeling is a challenging and time-consuming task as the crude oils contain many compounds with complicated structures [6]. Diverse approaches for hydroprocessing modeling have been developed in the past such as the lumping technique [7][8][9][10][11][12], detailed kinetic modeling [13][14][15][16][17][18][19], and black-box approach [20][21][22][23]. The lumping technique, which consists of regrouping chemical compounds with similar properties, is the most common and widely used [24].…”

Section: Introductionmentioning

confidence: 99%

Accelerating Kinetic Parameter Identification by Extracting Information from Transient Data: A Hydroprocessing Study Case

et al. 2020

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Hydroprocessing reactions require several days to reach steady-state, leading to long experimentation times for collecting sufficient data for kinetic modeling purposes. The information contained in the transient data during the evolution toward the steady-state is, at present, not used for kinetic modeling since the stabilization behavior is not well understood. The present work aims at accelerating kinetic model construction by employing these transient data, provided that the stabilization can be adequately accounted for. A comparison between the model obtained against the steady-state data and the one after accounting for the transient information was carried out. It was demonstrated that by accounting for the stabilization, combined with an experimental design algorithm, a more robust and faster manner was obtained to identify kinetic parameters, which saves time and cost. An application was presented in hydrodenitrogenation, but the proposed methodology can be extended to any hydroprocessing reaction.

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Kinetic Modeling of Vacuum Gas Oil Hydrotreatment using a Molecular Reconstruction Approach

Cited by 23 publications

References 26 publications

Dealing with uncertainties: Sensitivity analysis of vacuum gas oil hydrotreatment

Dealing with uncertainties: Sensitivity analysis of vacuum gas oil hydrotreatment

A Review of Kinetic Modeling Methodologies for Complex Processes

Accelerating Kinetic Parameter Identification by Extracting Information from Transient Data: A Hydroprocessing Study Case

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