This work reports an investigation on laminar premixed flames of tetralin at 30 Torr and equivalence ratios of 0.7 and 1.7. Measurements of the chemical structure including identification and mole fraction measurements of free radicals, isomers, and polycyclic aromatic hydrocarbons (PAHs) were performed using synchrotron vacuum ultraviolet photoionization mass spectrometry (SVUV‐PIMS). A kinetic model with 296 species and 1 577 reactions was developed and validated against the flame chemical structure data measured in this work. Modeling analysis reveals the key reaction pathways in tetralin decomposition and PAHs formation. The H‐atom abstraction reactions by H, O, and OH are found to control the consumption of tetralin in the lean flame, while those by H play the dominant role in the rich flame. Indene and naphthalene have very high concentration levels in the rich tetralin flame due to the existence of direct formation pathways from the decomposition of tetralin. The two bicyclic PAHs and their radicals play significant roles in the PAHs growth process of tetralin combustion, which results in the high sooting tendency of tetralin compared to those of alkylbenzenes with smaller or same carbon atom numbers.

中文翻译：

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低压电离质谱和动力学建模揭示层流预混四氢化萘火焰的化学结构

这项工作报告了对四氢化萘的层流预混火焰在30托下的当量比为0.7和1.7的研究。使用同步加速器真空紫外光电离质谱法（SVUV-PIMS）进行化学结构的测量，包括自由基，异构体和多环芳烃（PAHs）的鉴定和摩尔分数测量。建立了具有296个物种和1577个反应的动力学模型，并针对该工作中测得的火焰化学结构数据进行了验证。建模分析揭示了四氢萘分解和PAHs形成的关键反应途径。发现H，O和OH的H原子抽象反应可控制稀火焰中四氢萘的消耗，而H原子在富火焰中起主导作用。由于存在富四氢萘分解的直接形成途径，因此在富四氢萘火焰中，茚和萘的浓度很高。这两个双环PAH及其自由基在四氢萘燃烧的PAHs生长过程中起重要作用，与碳原子数较小或相同的烷基苯相比，四氢萘的烟灰趋势较高。