中国电机工程学报2012，Vol.32Issue(8)：71-77,7.
丁烷层流预混火焰多环芳烃生成化学动力学模拟
Detailed Chemical Kinetic Modeling of Polycyclic Aromatic Hydrocarbons Formation in a Laminar Premixed n-Butane Flame
摘要
Abstract
In recent years,with the continuous improvement of the pollutants emission limits for environmental protection,detailed kinetics reaction research on the formation,growth and oxidation of polycyclic aromatic hydrocarbons（PAHs） has become a hot topic.The pyrolysis and oxidation of butane,formation of the first aromatic ring and growth of PAHs were presented,with the latest and detailed reaction mechanisms.A detailed simulation of chemical kinetics was carried out for a laminar premixed,C4H10/O2/Ar steady butane flame,in order to obtain the main formation pathways of aromatic hydrocarbons and PAHs in the laminar flame.The reactants,major products,intermediate and PAHs distribution in the main reaction and post-reaction zone were presented;Sensitivity analysis method was used to identify the important reaction sequences and intermediates leading to aromatic and PAHs growth and destruction in the butane flame.The simulation results of the most low molecular weight aliphatic hydrocarbons,combustion by-products,intermediate and PAHs agree well with the experimental data.Propargyl（H2CCCH） self-combination reaction is the key reaction sequence leading to benzene formation.In addition,naphthalene（C10H8） production through the reaction step of cyclopentadienyl（c-C5H5） self-combination and phenanthrene（C14H10） formation from indenyl and c-C5H5 are shown to be important to the flame modeling,which further identifies the ＂H-abstraction-C2H2-addition（HACA）＂ mechanism.关键词
丁烷预混火焰/多环芳烃/化学反应机制/动力学模拟Key words
premixed butane flame polycyclic aromatic hydrocarbons(PAHs) chemical reaction mechanisms kineticSupport by the Talents Research Program of Changzhou University.simulation分类
能源科技引用本文复制引用
曹玉春,冯珍珍,李晓东..丁烷层流预混火焰多环芳烃生成化学动力学模拟[J].中国电机工程学报,2012,32(8):71-77,7.基金项目
常州大学引进人才项目资助 （）
