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The investigation of individual reaction steps in the oxidative coupling of methane over lithium doped magnesium oxide

โœ Scribed by J.W.M.H. Geerts; J.M.N. van Kasteren; K. van der Wiele


Publisher
Elsevier Science
Year
1989
Tongue
English
Weight
417 KB
Volume
4
Category
Article
ISSN
0920-5861

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The reaction of a methane molecule with a lithium-doped magnesium oxide catalyst (Li/MgO) containing small amounts of Znzt cations (Zn/Li/MgO) was theoretically studied using a modified MIND0/3 method and applying a supermolecular approach. The surface of magnesium oxide (MgO) was modelled by a MgX2

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## SUMNARY The role of heterogeneous and homogeneous reactions during the oxidative coupling of methane over Li/MgO was investigated by carrying out experiments at reduced pressure (60 Pa). The conclusion is that the radical reactions occurring in the gas phase play an essential role in the C,, se