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On the mechanism of soot formation


The mechanism of carbon particulate (soot) inception has been a subject of numerous studies and debates. The article begins with a critical review of the prior proposals, proceeds to the analysis of factors enabling the development of a meaningful nucleation flux, and then introduces new ideas that lead to the fulfillment of these requirements. In the new proposal, a rotationally-activated dimer is formed in collision of aromatic molecule and radical, the two react during the lifetime of the dimer to form a stable, doubly-bonded bridge between them, with the reaction rooted in a five-member ring present on the molecule edge. Several such reactions were examined theoretically and a most promising one generated a measurable nucleation flux. Consistency of the proposed model with known aspects of soot particle nanostructure is discussed. The foundation of the new model is fundamentally the H-Abstraction-Carbon-Addition (HACA) mechanism with the reaction affinity enhanced by rotational excitation.

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09 Jan 2020
10 Feb 2020
First published
11 Feb 2020

Phys. Chem. Chem. Phys., 2020, Accepted Manuscript
Article type

On the mechanism of soot formation

M. Frenklach and A. Mebel, Phys. Chem. Chem. Phys., 2020, Accepted Manuscript , DOI: 10.1039/D0CP00116C

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