华南理工大学学报（自然科学版）2025，Vol.53Issue(7)：11-20,10.DOI:10.12141/j.issn.1000-565X.240235
臭氧对生物柴油替代物燃烧中多环芳烃生成的影响
Effect of Ozone on Polycyclic Aromatic Hydrocarbon Formation in Combustion of Biodiesel Surrogate
摘要
Abstract
Studying the effect of Ozone(O3)on polycyclic aromatic hydrocarbon(PAH)during the combustion process of biodiesel can provide new insights for reducing soot emissions.A skeletal reaction mechanism of biodiesel surrogates coupled with an O3 reaction mechanism and a PAH reaction mechanism was constructed for modeling the effect and mechanism of O3 on PAH formation in a counterflow flame of biodiesel surrogates.The final mechanism consists of 138 species and 608 reactions.Analysis show that the addition of O₃ creates a localized rapid temperature rise zone on the fuel side.As the initial O₃ mole fraction increases,the temperature rise rate in this zone intensifies and its position shifts closer to the fuel outlet,resulting from the preliminary oxidation of the fuel releasing heat.Furthermore,the maximum mole fraction of PAH initially increases and subsequently decreases with increasing initial O₃ mole fraction.When initial O3 mole fraction increases to 0.04,the maximum mole fraction of major PAH such as benzene(A1),naphthalene(A2),anthracene(A3),and pyrene(A4)are 4.57,6.76,16.16,12.38 times that at initial O3 mole fraction of 0.00,respectively.The addition of O3 has a significant impact on the concentration of PAH,and has the greatest impact on A3.At the same time,the pathway of benzene(A1)generation shifts from C₂H₂-dominated to C₂H₃-dominated mechanisms.And when initial O3 mole fraction increases to 0.12,the maximum mole fractions of A1,A2,A3,and A4 are 0.880,0.357,0.375,and 0.143 times that at initial O3 mole fraction of 0.00.It is because that the C2H3 radicals are oxidized,thereby inhibiting the production of A1.关键词
生物柴油/多环芳烃/臭氧/氮氧化物/反应动力学Key words
biodiesel/polycyclic aromatic hydrocarbon/ozone/nitrogen oxides/reaction kinetics分类
能源科技引用本文复制引用
甘云华,刘卓龙,匡华临,韩彦杰,李华..臭氧对生物柴油替代物燃烧中多环芳烃生成的影响[J].华南理工大学学报（自然科学版）,2025,53(7):11-20,10.基金项目
国家自然科学基金项目(52376108) （52376108）
广东省科技计划项目(2022A0505050004)Supported by the National Natural Science Foundation of China(52376108)and the Science and Technology Planning Project of Guangdong Province(2022A0505050004) （2022A0505050004）
