Mechanism Construction and Simulation for the High-Temperature Combustion of n-Dodecane

作者:Hua Xiao-Xiao; Wang Jing-Bo; Wang Quan-De; Tan Ning-Xin*; Li Xiang-Yuan
来源:Acta Physico - Chimica Sinica, 2011, 27(12): 2755-2761.
DOI:10.3866/PKU.WHXB20112755

摘要

Using automatic generation software for hydrocarbon oxidation mechanisms, a detailed mechanism for the high-temperature combustion of n-dodecane was developed. A semi-detailed mechanism consisting of 202 species and 738 reactions was obtained by rate-of-production analysis while a skeletal mechanism including 53 species and 228 reactions was obtained using path flux analysis. Both the semi-detailed mechanism and the skeletal mechanism were validated by comparing simulation results including the ignition delay time, high-temperature pyrolysis, and the laminar flame speed with experiments. The current mechanism generation method and the generated semi-detailed and skeletal mechanisms for n-dodecane should be useful in computational fluid dynamics simulations. Finally, the major reaction pathways of n-dodecane oxidation and the important reactions in the ignition process were investigated by reaction path analysis and sensitivity analysis, respectively.