Research highlight: A density functional theory study on how γ-Al2O3 – Boehmite transformation affects carbon evolution during aqueous-phase reaction

This work explains the deactivation of γ-Al2O3 which the phase transformation of γ-Al2O3 to Boehmite can easily occur during liquid-phase reaction. Phase transformation of γ-Al2O3 can be divided into two states including
(1) partial hydroxylation of γ-Al2O3
(2) full hydroxylation of Boehmite. These phenomena change the behavior of these catalyst support to coking significantly. The results of this work are crucial to modified stability of the catalyst when applying γ-Al2O3 in the liquid phase reaction.

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