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Please use this identifier to cite or link to this item: http://hdl.handle.net/1860/2612

Title: Interactions of methane, ethane and pentane with the (110C) surface of γ−alumina
Authors: Cai, Shu-Hui
Chihaia, Viorel
Sohlberg, Karl
Keywords: Chemisorption;Methane;Ethane;Pentane;Semi-Empirical Calculations;γ −Alumina
Issue Date: 9-Apr-2007
Publisher: Elsevier
Citation: Journal of Molecular Catalysis A: Chemical, 275(1-2): pp. 63-71.
Abstract: Adsorptions of methane, ethane and pentane on the γ-alumina (110C) surface are investigated with semi-empirical (PM3) cluster calculations. It is found that the abstraction of an H atom accompanied by the formation of a C-O bond is the most favorable reaction for methane on the alumina surface. For ethane- and pentane-alumina interactions, the abstraction of two H atoms accompanied by the formation of an alkene is the most favorable reaction. The surface Al atoms help to promote the reactions, but are not directly involved in the bond formation.
URI: http://dx.doi.org/10.1016/j.molcata.2007.05.025
Appears in Collections:Faculty Research and Publications (Chemistry)

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