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首页> 外文期刊>Catalysis science & technology >Epoxidation of propene using Au/TiO2: on the difference between H-2 and CO as a co-reactant
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Epoxidation of propene using Au/TiO2: on the difference between H-2 and CO as a co-reactant

机译:丙烯的环氧化反应使用非盟/二氧化钛:作为一个co-reactant h2和CO的区别

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The role of the reducing gas in the direct epoxidation of propene to propene oxide (PO) using O-2 over a Au/TiO2 catalyst was studied through experiments and density functional theory calculations. It was found that PO can be obtained using both H-2 and CO as co-reactants. The yield of PO was much lower with CO than that with H-2. The role of the oxygen atoms of the titania support was studied by quantum-chemical investigations, which show that the mechanism involving CO as a co-reactant should proceed via surface oxygen vacancies, whereas with H-2 the well-accepted pathway involving OOH is favored. Steady-state isotopic transient kinetic analysis experiments demonstrate that support oxygen atoms are involved in PO formation when CO is used as the co-reactant.
机译:直接还原气体的作用丙烯的环氧化反应,氧化丙烯(PO)使用- Au /二氧化钛催化剂进行了研究实验和密度泛函理论计算。获得使用h2和CO co-reactants。阿宝的收益率与公司比这低得多2。二氧化钛支持研究了量子化学调查,这表明,该机制涉及公司co-reactant应该继续通过表面氧空位,而与2广为接受的途径包括哦青睐。稳态同位素瞬态动力学分析实验证明支持氧原子参与阿宝形成公司用作什么时候co-reactant。

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