Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
10264751 | Combustion and Flame | 2015 | 13 Pages |
Abstract
Reaction path and sensitivity analyses were carried out to identify the reactions responsible for the observed inadequacy. The rates of iso-butanol hydrogen atom abstraction by OH radical and the beta-scission reactions of hydroxybutyl radicals were updated based on recently published quantum calculation results. Significant improvements were achieved in predicting ignition delay at high pressures (25 and 30Â bar) and the species concentrations of ethene and iso-butene. However, the updated mechanism still overpredicts iso-butyraldehyde concentrations. Also, the updated mechanism degrades the prediction in ignition delay at lower pressure (15Â bar) compared to the original mechanism developed by Sarathy et al.
Related Topics
Physical Sciences and Engineering
Chemical Engineering
Chemical Engineering (General)
Authors
Weiqi Ji, Peng Zhang, Tanjin He, Zhi Wang, Ling Tao, Xin He, Chung K. Law,