ArticleAngewandte Chemie (International ed. in English)2021
Experimental and Theoretical Evidence for the Promotional Effect of Acid Sites on the Diffusion of Alkenes through Small-Pore Zeolites.
Article in Angewandte Chemie (International ed. in English), 2021. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 13 papers.
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Who cites it
13 citing papers in PubMed, 71 citations in OpenAlex.
- Multiscale spatiotemporal heterogeneity of zeolite-catalyzed methanol-to-hydrocarbons reaction.National science review · 2026Review
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- The Oxygenate-Mediated Conversion of COChemical reviews · 2023Review
- Operando Modeling of Zeolite-Catalyzed Reactions Using First-Principles Molecular Dynamics Simulations.ACS catalysis · 2023Review
- Cavity-controlled methanol conversion over zeolite catalysts.National science review · 2023Review
- Challenges in modelling dynamic processes in realistic nanostructured materials at operating conditions.Philosophical transactions. Series A, Mathematical, physical, and engineering sciences · 2023Review
- Rhodium nanoparticles supported on silanol-rich zeolites beyond the homogeneous Wilkinson's catalyst for hydroformylation of olefins.Nature communications · 2023Article
- Hyperloop-like diffusion of long-chain molecules under confinement.Nature communications · 2023Article
- Multiscale dynamical cross-talk in zeolite-catalyzed methanol and dimethyl ether conversions.National science review · 2022Article
- Low-energy adsorptive separation by zeolites.National science review · 2022Review
- Review
- Mobility and Reactivity of CuJACS Au · 2021Article
- Experimental and Theoretical Evidence for the Promotional Effect of Acid Sites on the Diffusion of Alkenes through Small-Pore Zeolites.Angewandte Chemie (International ed. in English) · 2021Article
Corrections and comments
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Authors and funding
10 authors at 5 institutions in 5 countries.
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Abstract
The diffusion of saturated and unsaturated hydrocarbons is of fundamental importance for many zeolite-catalyzed processes. Transport of small alkenes in the confined zeolite pores can become hindered, resulting in a significant impact on the ultimate product selectivity and separation. Herein, intracrystalline light olefin/paraffin diffusion through the 8-ring windows of zeolite SAPO-34 is characterized by a complementary set of first-principle molecular dynamics simulations, PFG-NMR experiments, and pulse-response temporal analysis of products measurements, yielding information at different length and time scales. Our results clearly show a promotional effect of the presence of Brønsted acid sites on the diffusion rate of ethene and propene, whereas transport of alkanes is found to be insensitive to the presence of acid sites. The enhanced diffusivity of unsaturated hydrocarbons is ascribed to the formation of favorable π-H interactions with acid protons, as confirmed by IR spectroscopy measurements. The acid site distribution is proven to be an important design parameter for optimizing product distributions and separations.
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