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Confinement Effect on Chemical Reaction Yield: The Nitric Oxide Dimer Reaction

机译:化学反应产率的限制效应:一氧化氮二聚体反应

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It is well established that confinement within a nano-porous material, such as an activated carbon, carbon nanotube, or porous oxide can affect reaction yield, reaction rate and even the mechanism of the reaction.1,2,3,4 These effects arise from the strong intermolecular forces between the various reacting species, including the activated state, and the pore walls, but are poorly understood. Understanding from experiment alone is difficult to achieve due to many competing effects, but complementary experimental and molecular simulation studies may help.
机译:很好地确定,纳米多孔材料中的限制,例如活性炭,碳纳米管或多孔氧化物可以影响反应产率,反应速率甚至反应的机理。从各种反应物种之间的强的分子间力,包括活化状态和孔壁,但理解得很差。由于许多竞争效应,单独难以实现从实验的理解,但互补的实验和分子模拟研究可能有所帮助。

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