Rapid soot inception via ?-alkynyl substitution of polycyclic aromatic hydrocarbons
文献类型：期刊论文
| 作者 | Liu, Peng; Jin, Hanfeng; Chen, Bingjie; Yang, Jiuzhong; Li, Zepeng; Bennett, Anthony; Farooq, Aamir; Sarathy, S. Mani; Roberts, William L. |
| 刊名 | FUEL
 |
| 出版日期 | 2021-07-01 |
| 卷号 | 295页码:- |
| 关键词 | PAH Soot Nucleation Chemical coalescence DFT |
| ISSN号 | 0016-2361 |
| 英文摘要 | Soot particles alter global climate and dominate the origin and evolution of carbonaceous interstellar material. Convincing experimental evidence has linked polycyclic aromatic hydrocarbons (PAH) to soot inception under low-temperature astrochemistry and high-temperature combustion conditions. However, significant gaps still remain in the knowledge of PAH and soot formation mechanisms. Here, we report theoretical and experimental evidence for a soot inception and growth pathway driven by peri-condensed aromatic hydrocarbons (PCAH) with an alkynyl substitution. Initially, free radicals attack the ?-alkynyl substitution of PCAHs to form covalently bound compounds yielding resonantly stabilized radicals (RSRs), which promote further clustering through repeated addition reactions with negligible energy barriers. The proposed pathway is shown to be competitive at temperatures relevant to astrochemistry, engine exhaust manifold and flames because it does not require Habstraction reactions, the requisite reaction precursors are in abundance, and the reaction rate is high. Such addition reactions of PCAHs with ?-alkyne substituents create covalently bound clusters from moderate-size PAHs that may otherwise be too small to coagulate. |
| WOS研究方向 | Energy & Fuels ; Engineering, Chemical |
| 源URL | [http://ir.rcees.ac.cn/handle/311016/46065]  |
| 专题 | 生态环境研究中心_水污染控制实验室 |
| 作者单位 | 1.King Abdullah Univ Sci & Technol KAUST, Clean Combust Res Ctr, Thuwal 239556900, Saudi Arabia 2.Univ Sci & Technol China, Natl Synchrotron Radiat Lab, Hefei 230029, Anhui, Peoples R China 3.Chinese Acad Sci, Res Ctr Ecoenvironm Sci, State Key Joint Lab Environm Simulat & Pollut Con, Beijing 100085, Peoples R China |
| 推荐引用方式 GB/T 7714 | Liu, Peng,Jin, Hanfeng,Chen, Bingjie,et al. Rapid soot inception via ?-alkynyl substitution of polycyclic aromatic hydrocarbons[J]. FUEL,2021,295:-. |
| APA | Liu, Peng.,Jin, Hanfeng.,Chen, Bingjie.,Yang, Jiuzhong.,Li, Zepeng.,...&Roberts, William L..(2021).Rapid soot inception via ?-alkynyl substitution of polycyclic aromatic hydrocarbons.FUEL,295,-. |
| MLA | Liu, Peng,et al."Rapid soot inception via ?-alkynyl substitution of polycyclic aromatic hydrocarbons".FUEL 295(2021):-. |
入库方式： OAI收割
来源：生态环境研究中心
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