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Modeling the Hydration-Induced Structural Transitions of the SAPO-34 Zeolite and Their Impact on the Water’s Sorbed Phase Equilibrium and Dynamics

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We identified computationally a number of hydration-induced structural phases of the SAPO-34 zeolite, possessing different energetic characteristics as revealed by density functional theory calcula... Click to show full abstract

We identified computationally a number of hydration-induced structural phases of the SAPO-34 zeolite, possessing different energetic characteristics as revealed by density functional theory calcula...

Keywords: hydration induced; sapo zeolite; structural transitions; induced structural; modeling hydration

Journal Title: Journal of Physical Chemistry C
Year Published: 2020

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