Simulating vacuum residue hydroconversion by means of Monte-Carlo techniques

•We model both feedstock composition and process reactions at a molecular level.•The feedstock is represented by mixtures of molecules exhibiting key feedstock properties.•The reactions are simulated by a kinetic Monte Carlo method on the set of molecules.•The methodology was applied to the hydrocon...

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Bibliographic Details
Published in:	Catalysis today Vol. 220-222; pp. 208 - 220
Main Authors:	de Oliveira, Luís Pereira, Verstraete, Jan J., Kolb, Max
Format:	Journal Article
Language:	English
Published:	Elsevier B.V 01.03.2014
Subjects:	Composition modeling Information entropy maximization Kinetic modeling Kinetic Monte-Carlo Stochastic Simulation Algorithm Vacuum residue hydrocracking kMC HDA LFER HDM BT HDN PDF T HDS Vacuum residue hydrocracking DBT MD CME SARA GC SR SSA Stochastic Simulation Algorithm Composition modeling Information entropy maximization QS/RC MS GO LSQ AEBP LAD NMR Kinetic modeling SR-REM LCO REM VR Kinetic Monte-Carlo VGO
ISSN:	0920-5861, 1873-4308
Online Access:	Get full text
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