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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DOI: 10.1021/acs.jpcc.0c02174
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... read more here.
Keywords: hydration induced; sapo zeolite; structural transitions; induced structural ... See more keywords