Monte Carlo modeling methodology for the simulation of hydrotreating processes

This work concerns the development of a methodology for kinetic modeling of hydrotreating processes. The proposed approach allows to overcome the lack of molecular detail of the petroleum fractions and to simulate the reactions of the process by means of a two-step procedure. In the first step, a mi...

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Bibliographic Details
Published inChemical engineering journal (1996) Vol. 207; pp. 94 - 102
Main Authors Pereira de Oliveira, Luís, Verstraete, Jan J, Kolb, Max
Format Journal Article Conference Proceeding
LanguageEnglish
Published Oxford Elsevier B.V 01.10.2012
Elsevier
Subjects
Applied sciences
Chemical engineering
Exact sciences and technology
feedstocks
Monte Carlo method
oils
petroleum
photoperiod
prediction
Monte Carlo method
Hydrotreating
Gas oil hydrotreating
Prediction
Monte-Carlo
Stochastic simulation
Modeling
Molecular reconstruction
Gas oil
Petroleum
Kinetic model
Kinetic modeling
Kinetics
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Summary:This work concerns the development of a methodology for kinetic modeling of hydrotreating processes. The proposed approach allows to overcome the lack of molecular detail of the petroleum fractions and to simulate the reactions of the process by means of a two-step procedure. In the first step, a mixture of molecules representing the feedstock is generated via a molecular reconstruction method, termed SR–REM molecular reconstruction. In the second step, a kinetic Monte Carlo method is used to simulate the effect of the hydrotreating reactions on the mixture of molecules. The resulting methodology is applied to the hydrotreating of Light Cycle Oil (LCO) gas oils, for which an accurate prediction is obtained.
Bibliography:http://dx.doi.org/10.1016/j.cej.2012.05.039
ISSN:1385-8947
1873-3212
DOI:10.1016/j.cej.2012.05.039