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Interactions of methane, ethane and pentane with the (110C) surface of γ−alumina
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http://hdl.handle.net/1860/2612
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| 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
http://hdl.handle.net/1860/2612 |
| Appears in Collections: | Faculty Research and Publications (Chemistry)
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