Presentation by: Guy Marin (Laboratory for Chemical Technology, Ghent University, Belgium)
In this presentation is shown that the kinetics of the complex reaction network of the hydrocracking and isomerization of heavy alkanes can be described adequately using a model focusing on the reactions of the functional groups: alkylshift, PCP-branching, beta-scission, acyclic cracking, and ring opening.
By using physisorption and NH3-TPD experiments and thermodynamic data, the number of adjustable parameters is reduced largely. The presentation also shows the matrix representation of the molecules used, and the advantages of this representation in the simulation.
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