Combustion Mechanism Construction Based on Minimized Reaction Network:Combustion of Aromatic Hydrocarbon

Based on the minimized reaction network(MRN) method,the combustion reaction mechanisms of benzene,toluene,ethylbenzene and n-propylbenzene for the specified chemical resolution,which consider both the necessary chemical species in combustion and the feasibility of three-dimensional combustion dynamic simulations, have been developed in this work. The chemical resolution is simply defined as the number of species involved in the reaction mechanisms. The new features of MRN approach including the small size of the reaction mechanisms, two-parameter rate constants,and the reversibility for all the"elementary"steps. The reaction mechanisms consist of 22 species with 35 reactions,27 species with 42 reactions,32 species with 58 reactions and 36 species with 68 reactions,for benzene,toluene,ethylbenzene and n-propylbenzene,respectively. It is worth noting that on the basis of the C3 core mechanism,the combustion mechanism of benzene has been constructed by adding 5 species and 14 reactions,and that of toluene constructed by adding 7 species and 15 reactions. On the basis of benzene mechanism, the combustion mechanism of ethylbenzene has been constructed by adding 4 species and 8 reactions,that of n-propylbenzene constructed by adding 3 species and 7 reactions,respectively. The correctness and reliability of these combustion reaction mechanisms have been verified by comparing with the experimental results of ignition delay time and laminar flame velocity.