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In this paper, the pore network model to investigate the reaction-diffusionprocess in the hierarchically structured porous catalyst particle is extendedto consider the phenomenon of deactivation by coking. In this framework, theinteraction of internal particle pore structure and mass transfer under thecondition of coke deposition are examined. A primitive experimentalinvestigation has been performed as an introduction to the development of themodel. Then, the effect of structural features namely macroporosity and poresize ratio, the deactivation properties, the maximum loading of coke as well asthe transport properties, the pore Damkohler number on the net reaction rateand deactivation of the particle have been investigated. Three deactivationmechanisms are accounted for, namely, the site coverage, the pore narrowing,and the pore blockage. It is found that the deactivation of the catalystparticle can be divided into two conditions: the kineticsal deactivation andthe structural deactivation. It is shown that depending on the Damkohlernumber, increasing the macroporosity does not necessarily improve thereactivity and deactivation resistance of the catalyst. The key finding of thiswork is to demonstrate and quantify how changing the typical fresh catalystmicrostructure observed in the experimental characterization into ahierarchical one influences the reactivity and deactivation.

Microstructure Effects on Performance and Deactivation of Hierarchically Structured Porous Catalyst: a Pore Network Model