#6900. Optimal design of hierarchically structured ZSM-5 zeolites for n-hexane isomerization

January 2027publication date
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Journal’s subject area:
Chemical Engineering (all);
Environmental Engineering;
Biotechnology;
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Abstract:
Although great progress has been made in the synthesis of hierarchically structured zeolites (HSZs), the optimal design of HSZs is still very challenging due to the lack of mathematical models. This work proposes a multiscale model that is able to describe mass transfer and reaction at crystal, pellet, and reactor levels, by directly coupling model equations at two neighboring levels. Two types of HSZ particles are considered, and n-hexane isomerization catalyzed by Pt/ZSM-5 is taken as a model reaction system. The results show that the diffusion limitations in both micropores and macro-/meso-pores can significantly reduce the conversion at reactor level. The trade-off between diffusion limitations and quantity of catalytic materials determines the optimal structure of HSZ particles. The optimized HSZ particles can be 52.9–1021.4% larger in conversion than their conventional counterparts. This work provides a powerful model and some useful guidance for the design of industrial zeolite catalysts.
Keywords:
alkane isomerization; diffusion limitation; hierarchically structured zeolite; multi-scale model; ZSM-5

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