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Kinetic model and simulation of PAHs formation pathway
of methanol/diesel |
School of Automobile and Traffic Engineering, Jiangsu University, Zhenjiang, Jiangsu 212013, China |
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Abstract Based on the mechanisms of methanol/ diesel oxidation and PAHs formation, the kinetic model of methanol/diesel with 228 species and 1 584 reactions was established. The PAHs formation process of methanol/diesel was investigated by reflectedshock tube and homogeneous zerodimensional reactor in CHEMKIN software. The results show that the reaction temperature, the mole fraction profiles of methanol, the reaction products of CO, CO2, O2, and the ignition delay can be reasonably predicted by the model. Singlepropynyl phenyl is mainly formed through polymerization, cyclization reaction and hydrogenation reaction. Habstraction acetylene addition mechanism and selfcombination reaction of aromatics are the main routes for polycyclic aromatic formation. The PAHs content decreases with the increase of methanol mixing proportion. The yield of PAHs precursors of C2H2 and C3H3 decreases with the decrease of mixture equivalence ratio.
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Received: 17 September 2012
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