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Accepted (AM)Open Access (License Unspecified), Open Access
Journal article
Interactions of methane, ethane and pentane with the (110C) surface of γ−alumina
Journal of Molecular Catalysis A Chemical, v 275(1-2), pp 63-71
17 Sep 2007
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.
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Details
- Title
- Interactions of methane, ethane and pentane with the (110C) surface of γ−alumina
- Creators
- Shu-Hui Cai - Xiamen UniversityViorel Chihaia - Institute of Physical ChemistryKarl Sohlberg (Corresponding Author) - Drexel University
- Publication Details
- Journal of Molecular Catalysis A Chemical, v 275(1-2), pp 63-71
- Publisher
- Elsevier
- Resource Type
- Journal article
- Language
- English
- Academic Unit
- Chemistry
- Web of Science ID
- WOS:000249607400009
- Scopus ID
- 2-s2.0-34548205829
- Other Identifier
- 991014632391504721
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- Collaboration types
- Domestic collaboration
- International collaboration
- Web of Science research areas
- Chemistry, Physical