Experimental and Theoretical Evidence for the Promotional Effect of Acid Sites on the Diffusion of Alkenes through Small-Pore Zeolites
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P. Cnudde, E.A. Redekop, W. Dai, N.G. Porcaro, M. Waroquier, S. Bordiga, M. Hunger, L. Li, U. Olsbye, V. Van Speybroeck, Angew. Chem. Int. Ed. 2021 60, 10016–10022 |
Prof. Van Speybroeck, Ghent University and colleagues have analyzed the influence of the acid-site density on the diffusion of small alkenes and alkanes in the zeolite H-SAPO-34 (pictured). using molecular dynamics (MD) simulations to probe the "hopping" of individual molecules between neighboring catalyst cages. Pulsed-field gradient NMR spectroscopy was used to measure diffusivities within large model crystallites, and so-called Temporal Analysis of Products (TAP) pulse‐response experiments allowed the researchers to study the adsorption and pore entry in small crystallites. Full paper can be found at https://doi.org/10.1002/anie.202017025