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Journal of Chemistry
Volume 2016, Article ID 8153582, 7 pages
http://dx.doi.org/10.1155/2016/8153582
Research Article

Systematic Reduction of the Detailed Kinetic Mechanism for the Combustion of n-Butane

1School of Mechanical Engineering, Beijing Institute of Technology, Beijing 100081, China
2School of Automobile and Transportation, Tianjin University of Technology and Education, Tianjin 300222, China

Received 14 January 2016; Revised 9 March 2016; Accepted 20 March 2016

Academic Editor: Mark Hoffmann

Copyright © 2016 Chunhui Liu et al. This is an open access article distributed under the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.

Abstract

A systematic approach for mechanism reduction was demonstrated to generate a skeletal and reduced mechanism for the oxidation of -butane. First, a skeletal mechanism, including 89 species and 440 elementary reactions, was derived from a 230-species detailed mechanism using path flux analysis (PFA). Then, the unimportant reactions were eliminated using the importance index defined in computational singular perturbation (CSP), resulting in a skeletal mechanism consisting of 89 species and 298 elementary reactions. Finally, 20 global quasi-steady-state species were identified using a CSP-based time-scale analysis, leading to a 69-species reduced mechanism. Validation of the 89-species skeletal and 69-species reduced mechanisms showed good agreement with the detailed mechanism for both the ignition delay time and the distribution of species concentration over a wide range of simulation conditions.