Ethanol Dehydration in HZSM‑5 Studied by Density Functional Theory: Evidence for a Concerted Process

Dehydration over acidic zeolites is an important reaction class for the upgrading of biomass pyrolysis vapors to hydrocarbon fuels or to precursors for myriad chemical products. Here, we examine the dehydration of ethanol at a Brønsted acid site, T12, found in HZSM-5 using density functional theory...

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