ArticleThe journal of physical chemistry letters2026
Water Adsorption at Pairs of Proximate Brønsted Acid Sites in Zeolites.
Article in The journal of physical chemistry letters, 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.
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Abstract
We model water adsorption at pairs of proximate Brønsted acid sites (BASs) in zeolites H-MFI, H-FAU, and H-CHA. We use machine-learning potentials to explore the potential energy surface, combined with quantum mechanical methods for chemically accurate energies of selected structures. We identify BAS pairs that adsorb water cooperatively, forming an H-bonded chain that connects the two BASs and provides additional stabilization. The formation of such a water bridge requires at least two molecules, making the adsorption of the second water molecule stronger than the first, e.g., by 20 and 44 kJ mol
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