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Modeling Benzene and Naphthalene Formation in a Premixed Propylene Flame

机译:用预混合丙烯火焰模拟苯和萘形成

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The Utah Surrogate Mechanism was used to model a fuel-rich, non-sooting premixed laminar flame of propylene at 5000 Pa with an equivalence ratio of 2.32. The simulation results were found to be satisfactory in comparison with the experimental data. For example, the measured concentration profiles of the fuel, oxidizer, inert and major products were successfully reproduced. The predictive ability of the model for soot precursors is one of the major foci of this paper; the maximum acetylene and benzene concentrations were predicted within 15% and 30% of the measured values, respectively. The formation of benzene and naphthalene has been critically examined to identify the major reaction pathways of these smallest aromatics, the chemistry of which initiates the growth of PAH species. Combination reactions involving resonant stabilized species such as propargyl, allyl and benzyl radicals were found to be the most important formation pathways for aromatics. Reactions involving benzene have profound impacts on those of naphthalene; however, other formation routes bypassing benzene via reactions of C_3+C_4 were identified to be the major formation pathways of the higher aromatic species.
机译:犹他州替代机构用于以5000Pa以2.32的等效比模拟富含富含燃料的非烟道预混层火焰,其等当量比为2.32。与实验数据相比,发现仿真结果令人满意。例如,成功再现了燃料,氧化剂,惰性和主要产物的测量浓度谱。烟灰前体模型的预测能力是本文的主要焦点之一;最大乙炔和苯浓度分别在测量值的15%和30%以内预测。苯和萘的形成受到严重检查,以确定这些最小芳烃的主要反应途径,其化学引发了PAH物种的生长。发现涉及共振稳定的物种如丙基,烯丙基和苄基的组合反应是芳族学最重要的形成途径。涉及苯的反应对萘的影响深远;然而,通过C_3 + C_4的反应绕过苯的其他形成途径被鉴定为较高芳族物种的主要形成途径。

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