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• W4366201430 endingPage "5968" @default.
• W4366201430 startingPage "5955" @default.
• W4366201430 abstract "Catalytic transformations play a vital role in the implementation of chemical technologies, particularly as society shifts from fossil-fuel-based feedstocks to more renewable bio-based systems. The dehydration of short-chain alcohols using solid acid catalysts is of great interest for the fuel, polymer, and pharmaceutical industries. Microporous frameworks, such as aluminophosphates, are well-suited to such processes, as their framework channels and pores are a similar size to the small alcohols considered, with many different topologies to consider. However, the framework and acid site strength are typically linked, making it challenging to study just one of these factors. In this work, we compare two different silicon-doped aluminophosphates, SAPO-34 and SAPO-5, for alcohol dehydration with the aim of decoupling the influence of acid site strength and the influence of confinement, both of which are key factors in nanoporous catalysis. By varying the alcohol size from ethanol, 1-propanol, and 2-propanol, the acid sites are constant, while the confinement is altered. The experimental catalytic dehydration results reveal that the small-pore SAPO-34 behaves differently to the larger-pore SAPO-5. The former primarily forms alkenes, while the latter favors ether formation. Combining our catalytic findings with density functional theory investigations suggests that the formation of surface alkoxy species plays a pivotal role in the reaction pathway, but the exact energy barriers are strongly influenced by pore structure. To provide a holistic view of the reaction, our work is complemented with molecular dynamics simulations to explore how the diffusion of different species plays a key role in product selectivity, specifically focusing on the role of ether mobility in influencing the reaction mechanism. We conclude that confinement plays a significant role in molecular diffusion and the reaction mechanism translating to notable catalytic differences between the molecules, providing valuable information for future catalyst design." @default.
• W4366201430 created "2023-04-19" @default.
• W4366201430 creator A5001805046 @default.
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• W4366201430 date "2023-04-17" @default.
• W4366201430 modified "2023-09-25" @default.
• W4366201430 title "Combining Theoretical and Experimental Methods to Probe Confinement within Microporous Solid Acid Catalysts for Alcohol Dehydration" @default.
• W4366201430 cites W1234268470 @default.
• W4366201430 cites W1533273652 @default.
• W4366201430 cites W1927730430 @default.
• W4366201430 cites W1964280047 @default.
• W4366201430 cites W1970127494 @default.
• W4366201430 cites W1979544533 @default.
• W4366201430 cites W1981368803 @default.
• W4366201430 cites W1993057668 @default.
• W4366201430 cites W1994294086 @default.
• W4366201430 cites W1999905568 @default.
• W4366201430 cites W2002397717 @default.
• W4366201430 cites W2002782616 @default.
• W4366201430 cites W2018674598 @default.
• W4366201430 cites W2021256866 @default.
• W4366201430 cites W2021979477 @default.
• W4366201430 cites W2036113194 @default.
• W4366201430 cites W2039262629 @default.
• W4366201430 cites W2039293281 @default.
• W4366201430 cites W2053428471 @default.
• W4366201430 cites W2056871520 @default.
• W4366201430 cites W2057521586 @default.
• W4366201430 cites W2058640626 @default.
• W4366201430 cites W2064243107 @default.
• W4366201430 cites W2064484346 @default.
• W4366201430 cites W2065529105 @default.
• W4366201430 cites W2066378070 @default.
• W4366201430 cites W2067718414 @default.
• W4366201430 cites W2069006374 @default.
• W4366201430 cites W2070330556 @default.
• W4366201430 cites W2074789420 @default.
• W4366201430 cites W2078511427 @default.
• W4366201430 cites W2081683481 @default.
• W4366201430 cites W2082037815 @default.
• W4366201430 cites W2083222334 @default.
• W4366201430 cites W2083702050 @default.
• W4366201430 cites W2084328644 @default.
• W4366201430 cites W2091654157 @default.
• W4366201430 cites W2092157292 @default.
• W4366201430 cites W2116156955 @default.
• W4366201430 cites W2126314450 @default.
• W4366201430 cites W2171534846 @default.
• W4366201430 cites W2174996849 @default.
• W4366201430 cites W2233958358 @default.
• W4366201430 cites W2234552091 @default.
• W4366201430 cites W2240401688 @default.
• W4366201430 cites W2288921401 @default.
• W4366201430 cites W2300085411 @default.
• W4366201430 cites W2309077190 @default.
• W4366201430 cites W2319101995 @default.
• W4366201430 cites W2321758998 @default.
• W4366201430 cites W2322016220 @default.
• W4366201430 cites W2324974978 @default.
• W4366201430 cites W2393841023 @default.
• W4366201430 cites W2403026408 @default.
• W4366201430 cites W2406057230 @default.
• W4366201430 cites W2407537551 @default.
• W4366201430 cites W2409722460 @default.
• W4366201430 cites W2516391418 @default.
• W4366201430 cites W2558498338 @default.
• W4366201430 cites W2561968367 @default.
• W4366201430 cites W2591429458 @default.
• W4366201430 cites W2591602612 @default.
• W4366201430 cites W2595529684 @default.
• W4366201430 cites W2599073021 @default.
• W4366201430 cites W2601081289 @default.
• W4366201430 cites W2605065871 @default.
• W4366201430 cites W2607884604 @default.
• W4366201430 cites W2621059410 @default.
• W4366201430 cites W2739439285 @default.
• W4366201430 cites W2742693531 @default.
• W4366201430 cites W2755866793 @default.
• W4366201430 cites W2765471533 @default.
• W4366201430 cites W2765773466 @default.
• W4366201430 cites W2768668260 @default.
• W4366201430 cites W2769456954 @default.
• W4366201430 cites W2770368996 @default.
• W4366201430 cites W2777046892 @default.
• W4366201430 cites W2784448456 @default.
• W4366201430 cites W2793782255 @default.
• W4366201430 cites W2801843063 @default.
• W4366201430 cites W2803020463 @default.
• W4366201430 cites W2884300370 @default.
• W4366201430 cites W2889994860 @default.

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