Structure and solvation of confined water and water–ethanol clusters within microporous Brønsted acids and their effects on ethanol dehydration catalysis

Bates, Jason S.; Bukowski, Brandon C.; Greeley, Jeffrey; Gounder, Rajamani

doi:10.1039/d0sc02589e

Title: Structure and solvation of confined water and water–ethanol clusters within microporous Brønsted acids and their effects on ethanol dehydration catalysis

Journal Article · 31 December 2019 · Chemical Science

DOI: https://doi.org/10.1039/d0sc02589e · OSTI ID:1635054

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Charles D. Davidson School of Chemical Engineering; Purdue University; West Lafayette; USA

Water networks confined within zeolites solvate clustered reactive intermediates and must rearrange to accommodate transition states that differ in size and polarity, with thermodynamic penalties that depend on the shape of the confining environment.

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Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES). Chemical Sciences, Geosciences & Biosciences Division

Grant/Contract Number:: SC0010379; AC02-06CH11357

OSTI ID:: 1635054

Alternate ID(s):: OSTI ID: 1680036

Journal Information:: Chemical Science, Journal Name: Chemical Science Journal Issue: 27 Vol. 11; ISSN 2041-6520

Publisher:: Royal Society of ChemistryCopyright Statement

Country of Publication:: United Kingdom

Language:: English

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