Application of Monte Carlo techniques to LCO gas oil hydrotreating: Molecular reconstruction and kinetic modellingReport as inadecuate




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* Corresponding author 1 IFPEN - IFP Energies nouvelles

Abstract : The increasing pressure to satisfy the environmental criteria concerning oil products leads to the need for developing accurate models to predict the performances of the refining processes. In the current study, a stochastic two-step procedure using Monte Carlo techniques is applied to and validated on the hydrotreating of Light Cycle Oil LCO gas oils. In the first step, a mixture of molecules representative of the LCO gas oils is generated using a molecular econstruction method termed SR-REM. Subsequently, the Stochastic Simulation Algorithm SSA is applied to simulate the evolution of the mixture composition during hydrotreating. The results show that an accurate representation of eleven different LCO gas oils was obtained by the application of the molecular reconstruction method. The hydrotreating simulations of three LCO gas oils at different operating conditions showed a good agreement with the experimental data obtained at laboratory scale. The current stochastic procedure has demonstrated to be a valid tool for the reconstruction of the composition of LCO gas oils and the simulation of the hydrotreating process.

Keywords : kinetic modelling kinetic Monte Carlo stochastic simulation algorithm LCO gas oil hydrotreating Composition modelling molecular reconstruction





Author: Maria Lopez Abelairas - Luis Pereira de Oliveira - Jan Verstraete -

Source: https://hal.archives-ouvertes.fr/



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