Formation pathways of polycyclic aromatic hydrocarbons (PAHs) in butane or butadiene flames
Author:
Affiliation:
1. School of Mechanical and Electrical Engineering
2. Shandong Agricultural University
3. Taian 271018
4. P. R. China
5. Department of Traffic Engineering
6. Shandong Transport Vocational College
7. Taian 271000
Abstract
The reaction pathways from phenyl radicals to phenanthrene (A3) and pyrene (A4) via C2H3 and C4H4 additions were investigated using the G3(MP2, CC) method.
Publisher
Royal Society of Chemistry (RSC)
Subject
General Chemical Engineering,General Chemistry
Link
http://pubs.rsc.org/en/content/articlepdf/2021/RA/D0RA08744K
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1. Calculations of Rate Coefficients for the Chemically Activated Reactions of Acetylene with Vinylic and Aromatic Radicals
2. Kinetic modeling of soot formation with detailed chemistry and physics: laminar premixed flames of C2 hydrocarbons
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