Phenalenyl growth reactions and implications for prenucleation chemistry of aromatics in flames-Reference-Cited by-同舟云学术

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Phenalenyl growth reactions and implications for prenucleation chemistry of aromatics in flames

Published:2024 Issue:17 Volume:26 Page:13034-13048
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Frenklach Michael¹^ORCID,Jasper Ahren W.²^ORCID,Mebel Alexander M.³^ORCID

Affiliation:

1. Department of Mechanical Engineering, University of California, Berkeley, California 94720, USA

2. Chemical Sciences and Engineering Division, Argonne National Laboratory, Lemont, Illinois 60439, USA

3. Department of Chemistry and Biochemistry, Florida International University, Miami, Florida 33199, USA

Abstract

Phenalenyl growth reactions were studied theoretically. Application of the computed rate constants to all π radicals revealed that the PAH growth proceeds via alternating and sterically diverse acetylene and methyl HACA additions.

Funder

Florida International University

U.S. Department of Energy

Publisher

Royal Society of Chemistry (RSC)

Link

http://pubs.rsc.org/en/content/articlepdf/2024/CP/D4CP00096J

Reference97 articles.

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