Abstract. The combustion and soot formation process of ethylene-heptane mixture was numerical calculated in an opposed-flow flame by an improved kinetic mechanism. The mechanism contains 211 species and 1410 reactions, including the pyrolysis reactions of heptane, core reactions of C0-C4, the formation of benzene, PAH growth up to coronene (A7). This mechanism was well validated by the mole fraction of major species in a heptane premixed flame and aromatic species in an ethylene/air opposed-flow flame. Numerical simulation in ethylene-heptane opposed-flow diffusion flame shows a self-synergistic effect on soot formation. As the ratio of heptane increases, the soot volume fraction (SVF), soot number density (SND), peak mole fraction of benzene and key PAH species all increase first and then decrease. A maximum peak of SVF and SND is reached when 5% heptane is added to the fuel. Propyl and methyl play important roles in the synergistic effect of the formation of benzene.
IntroductionOpposed-flow flames are generally used to investigate the soot characteristics. There are two types of the opposed-flow flame, soot formation (SF) flame and soot formation and oxidation (SFO) flame [1]. The flame plane of the SF flame is located on the oxidizer side, while the other located on the fuel side. In SF flame, PAHs and soot are generated in the fuel side of the flame, and the soot particles move away from the high-temperature reacting region. So the oxidation of soot and PAH does not occur in this case. Therefore, SF flame is a good choice to study the growth of PAH and soot particles. However, there are also some researches studies on SFO flames where the oxidation of PAH and soot needs to be considered.Fuel structure plays an important role in the process of the formation and development of PAH and soot [2]. Many researchers investigated the effects of the fuel structure on soot formation process in diffusion flame by fuel mixing, and observed the synergistic effect on PAH and soot formation in some experiments [3][4][5][6][7][8]. The synergistic effect in the process of soot formation process is defined as the case when a mixture fuel can produce more PAH and soot as compared to the respective pure fuels.Synergistic effects on soot formation are observed in many fuel mixing experiments, however, little of them are carried on liquid fuels. Heptane is abundant in both gasoline and diesel fuel [9], and is used as a preference fuel in the numerical calculation of engine combustion. Ethylene is an important intermediate product in the heptane high temperature β-scission process. Therefore, the synergistic effect of ethylene-heptane mixture can also be treat as the self-synergistic effect on continuous heptane diffusion combustion. In this research, the soot formation process of ethylene-heptane binary mixture was numerical calculated in an opposed-flow diffusion flame. The distribution of SVF, SND, core species, A1 and PAHs were displayed. The mechanism of synergistic effects on soot, A1 and PAHs were analyzed in detail.