Numerical Simulation of PAH Formation Process in Ethanol/n-Heptane Combustion Flame
The PAH formation mechanism of ethanol/n-heptane (including 241 species and 1 703 reactions)was built using the CHEMKIN software.The PAH (benzene,naphthalene,phenanthrene,pyrene)formation process of ethanol/n-heptane in shock tube and premixed flame was studied.The effect of ethanol ratios on PAH formation process was analyzed.The formation rate (ROP) analysis results showed that benzene was mainly formed by the polymerization of propargyl and the hydrogenation reaction of phenyl.Naphthalene,phenanthrene,and pyrene were mainly formed by H-abstraction acetylene addition.The H and OH oxidation radicals can reduce the formation of PAH.The sensitivity analysis results showed that during the combustion process of ethanol/n-heptane,the decomposition reaction of pentyl,pentenyl,allyl and propyl promoted the formation of benzene.During the decomposition,with the increase of ethanol ratios,the concentration of reactive-OH increased and the formation rate of PAH decreased.Study results showed that ethanol can reduce PAH formation.
NETL
NSTL
万方数据
维普
