ABSTRACT

Interest in polycyclic aromatic hydrocarbons (PAHs) including a functional group in its chemical structure, particularly oxygenated PAHs (OPAHs), has been growing due to the toxicity and wide presence of the compound. Understanding the formation mechanism of OPAHs is very important for reducing their emission during combustion. However, studies on the quantitative evaluation of OPAHs have been very limited. In this study, the formation of OPAHs was quantitatively evaluated in addition to that of PAHs using a flow reactor system in which a mixture of ethylene, O₂, and N₂ reacted at atmospheric pressure. 5 types of OPAHs were targeted in this study: phenol, benzofuran, dibenzofuran, 9-fluorenone, and benzanthrone. 3 types of monocyclic aromatic hydrocarbons (MAHs) and 17 types of PAHs were also analyzed by gas chromatography mass spectrometry. Measurements were performed at different reaction gas temperatures (1050 to 1350 K), residence times (0.40 to 1.5 second), and equivalence ratios (3.0 to 12.0). Some measured data, mainly MAHs and PAHs, were compared with the concentrations predicted using existing kinetic models. Finally, we evaluated the reaction pathways that contributed to the formation of the OPAHs such as benzofuran, dibenzofuran, 9-fluorenone, and benzanthrone quantified in this study.

摘要

由于化合物的毒性和广泛存在，人们对在其化学结构中包含官能团的多环芳烃 (PAH)，特别是含氧多环芳烃 (OPAH) 的兴趣一直在增长。了解 OPAHs 的形成机制对于减少其燃烧过程中的排放非常重要。然而，关于 OPAHs 定量评价的研究非常有限。在这项研究中，除了 PAHs 的形成之外，还使用乙烯、O ₂和 N _{2的混合物的流动反应器系统对 OPAHs 的形成进行了定量评估。}在大气压下反应。本研究针对 5 种类型的 OPAH：苯酚、苯并呋喃、二苯并呋喃、9-芴酮和苯并蒽酮。还通过气相色谱质谱分析了3种单环芳烃（MAHs）和17种PAHs。在不同的反应气体温度（1050 至 1350 K）、停留时间（0.40 至 1.5 秒）和当量比（3.0 至 12.0）下进行测量。一些测量数据，主要是 MAH 和 PAH，与使用现有动力学模型预测的浓度进行了比较。最后，我们评估了在本研究中量化的导致苯并呋喃、二苯并呋喃、9-芴酮和苯并蒽酮等 OPAH 形成的反应途径。