Published January 1977
| Published
Journal Article
Open
Methanation of CO over Ni catalyst: A theoretical study
Chicago
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Abstract
Theoretical methods (generalized valence‐bond calculations) were used to examine the bond energies and geometries of numerous species chemisorbed onto Ni clusters representing Ni surface. These results were used to obtain thermochemical information and to examine various mechanisms for the methanation of CO over Ni: CO+3H^(→)_(2(Ni)) CH_4+H_2O. It is found that chemisorbed formyl radicals (Ni–CHO) lead to a favorably appearing chain reaction that is consistent with current experimental results. In addition, we find a chemisorbed C_2 species that may be the catalytically active C_(ad) formed from dissociation of CO.
Additional Information
© 1977 American Vacuum Society. Received 3 December 1976. Supported by a grant (DMR74-04965) from the National Science Foundation. Contribution No. 5472. Supported by a contract from the U.S. Energy Research and Development Administration.Attached Files
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Additional details
- Eprint ID
- 32868
- Resolver ID
- CaltechAUTHORS:20120802-091645689
- NSF
- DMR74-04965
- Energy Research and Development Administration (ERDA)
- Created
-
2012-08-02Created from EPrint's datestamp field
- Updated
-
2021-11-09Created from EPrint's last_modified field
- Other Numbering System Name
- WAG
- Other Numbering System Identifier
- 0092