Rapid soot inception via α-alkynyl substitution of polycyclic aromatic hydrocarbons
نویسندگان
چکیده
Soot particles alter global climate and dominate the origin evolution of carbonaceous interstellar material. Convincing experimental evidence has linked polycyclic aromatic hydrocarbons (PAH) to soot inception under low-temperature astrochemistry high-temperature combustion conditions. However, significant gaps still remain in knowledge PAH formation mechanisms. Here, we report theoretical for a growth pathway driven by peri-condensed (PCAH) with an alkynyl substitution. Initially, free radicals attack α-alkynyl substitution PCAHs form covalently bound compounds yielding resonantly stabilized (RSRs), which promote further clustering through repeated addition reactions negligible energy barriers. The proposed is shown be competitive at temperatures relevant astrochemistry, engine exhaust manifold flames because it does not require H-abstraction reactions, requisite reaction precursors are abundance, rate high. Such α-alkyne substituents create clusters from moderate-size PAHs that may otherwise too small coagulate.
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ژورنال
عنوان ژورنال: Fuel
سال: 2021
ISSN: ['0016-2361', '1873-7153']
DOI: https://doi.org/10.1016/j.fuel.2021.120580