Citation: FANY Ya-Mei, WANY Quan-De, WANY Fan, LI Xiang-Yuan. Reduction of the Detailed Kinetic Mechanism for High-Temperature Combustion of n-Dodecane[J]. Acta Physico-Chimica Sinica doi: 10.3866/PKU.WHXB201208201 shu

Reduction of the Detailed Kinetic Mechanism for High-Temperature Combustion of n-Dodecane

1.
1 College of Chemisry, Sichuan University, Chengdu 610064, P. R. China;
2 College of Chemical Engineering, Sichuan University, Chengdu 610065, P. R. China

Received Date: 13 June 2012
Available Online: 20 August 2012
Fund Project: 国家自然科学基金(91016002, 91116001/A0204)资助项目 (91016002, 91116001/A0204)

The detailed chemical kinetic mechanism for high-temperature combustion of n-dodecane was systematically reduced via integrated mechanism reduction methods. The skeletal mechanism, including 59 species and 222 elementary reactions, was derived using the directed relation graph method (DRG) combined with a method based on computational singular perturbation (CSP) importance index from a detailed mechanism consisting of 1279 species and 5056 elementary reactions. The skeletal mechanism was further reduced through time-scale analysis. The CSP method was employed for the selection of quasi steady state (QSS) species, and ten species were chosen as QSS species. Finally, based on the quasi steady state approximation method, a 49-species reduced mechanism was derived. Both the skeletal mechanism and the 49-species reduced mechanism reproduced the ignition delay time, extinction, and species profiles of the detailed mechanism over a wide range of simulation conditions.
- n-Dodecane,
- Detail chemical kinetic mechanism,
- Mechanism reduction,
- Directed relation graph,
- Computational singular perturbation,
- Quasi-steady state approximation
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