- Luis Pereira de Oliveira (IFP Energies nouvelles, France),
The new composition modelling methodology models the kinetic modelling of oil refining processes for both the feedstock composition and the process reactions at a molecular level. It consists of generating a synthetic set of molecules, whose properties are close to those obtained from the process feedstock analyses, by a two-step molecular reconstruction algorithm.
The refining process is simulated using Gillespie’s Stochastic Simulation Algorithm, in which the evolution of the composition is followed by applying, step by step, the refining reactions to the created set of molecules by means of a Monte Carlo method. This methodology was applied to hydrotreating of Light Cycle Oil gas oils. Overall properties of the effluent are well predicted. The methodology is also able to predict molecular properties of the effluent not accessible with traditional kinetic models..
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