Mechanistic Study of Alcohol Dehydration on γ-Al2O3
作者： Sounak Roy , Giannis Mpourmpakis , Do-Young Hong , Dionisios G. Vlachos , A. Bhan
DOI: 10.1021/CS300176D
关键词:
摘要: The acid sites on γ-Al2O3 were characterized using FTIR spectroscopy of adsorbed pyridine and temperature programmed desorption (TPD) 2-propanamine, ethanol, 1-propanol, 2-propanol, 2-methyl-2-propanol, together with density functional theory (DFT) calculations. Following room-temperature adsorption evacuation, the surface coverages alcohols between 2 3.2 × 1018 molecules/m2. For each alcohols, reaction to olefin water products occurred in a narrow peak that indicated is first-order process well-defined activation energy, which turn depended strongly particular alcohol. DFT calculations an Al8O12 cluster are excellent agreement experimental observations show transition states for dehydration had carbenium-ion character. carbenium ion stability terms proton affinity (of alkenes) matches well energy reaction. Adsorption γ-Al2O3, foll...
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