Groupe de Physique Statistique

Equipe 106, Institut Jean Lamour

                     
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Articles dans des revues à comité de lecture

Molecular traffic control for a cracking reaction
Harish R., Karevski D., Schütz G.
Journal of Catalysis 253/1 (2008) 191-199
DOI : 10.1016/j.jcat.2007.10.009

We investigate the conditions for reactivity enhancement of catalytic cracking process in porous crystalline solids by the use of molecular traffic control (MTC). With dynamic Monte Carlo simulation we obtain a quantitative description of the MTC effect for a network of intersecting bimodal channels, with a combination of both exclusion and non exclusion dynamics, in a wide range of grain parameters and operating external conditions. We compare the results with a reference system of a topologically identical network with only one type of channels. We find significant grain reactivity enhancement in the MTC system with respect to the reference system, which increases with the grain size. The grain reactivity enhancement is seen to increase with longer segments between intersections and we find that in certain regions of microscopic reaction rate, grain reactivity enhancement is up to 68 \%. This suggests that MTC may lead to reactivity enhancement in suitably chosen crystallite size and topology.



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