Refinements and validation of n-butane skeletal mechanisms for formation of unsaturated intermediates in combustion

• Main Authors: Tzu-wei Lee, 李子葳
• Other Authors: Lin, Kuang-Chuan
• Format: Others
• Language: en_US
• Published: 2018
• Online Access: http://ndltd.ncl.edu.tw/handle/agb2ad

碩士 === 國立中山大學 === 機械與機電工程學系研究所 === 107 === In the purpose of understanding the complex chemistry of aromatic hydrocarbons and polycyclic aromatic hydrocarbons (PAH) formations in diffusion flame of n-butane oxidation, a skeletal n-C4H10-PAH mechanism with 99 species and 530 reactions is proposed for n-butane combustion. The study begins with combining the existing reduced n-butane mechanism with published PAH sub-mechanisms and is then validated with experimental results of auto-ignition and flame speed. Through the refinement by sensitive analysis and reduction by the path flux analysis, the present mechanism is derived and validated with the GC/MS measured concentrations of emissions in counter flow flames. For the first time, the mechanism of C4H10-PAH is incorporated in axisymmetric laminar finite-rate model of coflow flame for predicting the experimentally measured concentrations of hydrocarbons and aromatic compounds up to C12 species. Furthermore, the reaction pathway diagram produced by rate of production analysis illustrates the correlation between the decomposition of n-butane and formation of the target species.