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DOI10.1126/science.aat3417
Resonance-stabilized hydrocarbon-radical chain reactions may explain soot inception and growth
Johansson K.O.; Head-Gordon M.P.; Schrader P.E.; Wilson K.R.; Michelsen H.A.
发表日期2018
ISSN0036-8075
起始页码997
结束页码1000
卷号361期号:6406
英文摘要Mystery surrounds the transition from gas-phase hydrocarbon precursors to terrestrial soot and interstellar dust, which are carbonaceous particles formed under similar conditions. Although polycyclic aromatic hydrocarbons (PAHs) are known precursors to high-temperature carbonaceous-particle formation, the molecular pathways that initiate particle formation are unknown. We present experimental and theoretical evidence for rapid molecular clustering–reaction pathways involving radicals with extended conjugation. These radicals react with other hydrocarbon species to form covalently bound complexes that promote further growth and clustering by regenerating resonance-stabilized radicals through low-barrier hydrogen-abstraction and hydrogen-ejection reactions. Such radical–chain reaction pathways may lead to covalently bound clusters of PAHs and other hydrocarbons that would otherwise be too small to condense at high temperatures, thus providing the key mechanistic steps for rapid particle formation and surface growth by hydrocarbon chemisorption. © The Authors.
英文关键词hydrocarbon; radical; cluster analysis; high temperature; hydrogen; molecular analysis; PAH; particle size; radical; soot; Article; chemical reaction; complex formation; covalent bond; high temperature; polymerization; priority journal; soot; theoretical study
语种英语
来源期刊Science
文献类型期刊论文
条目标识符http://gcip.llas.ac.cn/handle/2XKMVOVA/244183
作者单位Combustion Research Facility, Sandia National Laboratories, Livermore, CA 94550, United States; Department of Chemistry, University of California Berkeley, Berkeley, CA 94720, United States; Chemical Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, CA 94720, United States
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Johansson K.O.,Head-Gordon M.P.,Schrader P.E.,et al. Resonance-stabilized hydrocarbon-radical chain reactions may explain soot inception and growth[J],2018,361(6406).
APA Johansson K.O.,Head-Gordon M.P.,Schrader P.E.,Wilson K.R.,&Michelsen H.A..(2018).Resonance-stabilized hydrocarbon-radical chain reactions may explain soot inception and growth.Science,361(6406).
MLA Johansson K.O.,et al."Resonance-stabilized hydrocarbon-radical chain reactions may explain soot inception and growth".Science 361.6406(2018).
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