Unraveling chemical structure of laminar premixed tetralin flames at low pressure with photoionization mass spectrometry and kinetic modeling
Unraveling chemical structure of laminar premixed tetralin flames at low pressure with photoionization mass spectrometry and kinetic modeling
复制标题
利用光电离质谱和动力学建模揭示低压层流预混四氢化萘火焰的化学结构
DOI：
10.1002/kin.21431
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发表时间：
2020-09-16
影响因子：
1.5
通讯作者：
Yang, Jiuzhong
中科院分区：
文献类型：
--
作者：
Li, Yuyang;Zou, Jiabiao;Yang, Jiuzhong
本文报道了在30托和当量比为0.7和1.7的四氢萘层流预混火焰的研究。使用同步加速器真空紫外光电离质谱（SVUV-PIMS）进行化学结构测量，包括自由基、异构体和多环芳烃（PAHs）的鉴定和摩尔分数测量。建立了一个包含296个组分和1577个反应的反应动力学模型，并根据火焰化学结构数据进行了验证。模拟分析揭示了四氢萘分解和多环芳烃生成的关键反应途径。在贫燃火焰中，氢原子、氧原子和羟基的夺氢反应控制四氢萘的消耗，而在富燃火焰中，氢原子的夺氢反应起主导作用。茚和萘在富四氢萘火焰中具有非常高的浓度水平，这是由于四氢萘的分解存在直接生成途径。这两种双环多环芳烃及其自由基在四氢萘燃烧过程中起着重要作用，导致四氢萘的碳烟生成倾向高于碳原子数较小或相同的烷基苯。
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.