Frankcombe, Terry J. ; Bhatia, Suresh K. ; Smith, Sean C. (2002) Ab initio modelling of basal plane oxidation of graphenes and implications for modelling char combustion Carbon, 40 (13). pp. 2341-2349. ISSN 0008-6223
Full text not available from this repository.
Official URL: http://linkinghub.elsevier.com/retrieve/pii/S00086...
Related URL: http://dx.doi.org/10.1016/S0008-6223(02)00147-1
Abstract
Ab initio calculations have been performed to determine the energetics of oxygen atoms adsorbed onto graphene planes and the possible reaction path extracting carbon atoms in the form of carbon monoxide. From the energetics it is confirmed that this reaction path will not significantly contribute to the gasification of well ordered carbonaceous chars. Modelling results which explore this limit are presented.
| Item Type: | Article |
|---|---|
| Source: | Copyright of this article belongs to Elsevier Science. |
| Keywords: | Char; Gasification; Computational Chemistry; Reaction Kinetics |
| ID Code: | 2898 |
| Deposited On: | 09 Oct 2010 05:32 |
| Last Modified: | 17 May 2011 06:38 |
Repository Staff Only: item control page
