Methyl radical and shift reactions with aliphatic and aromatic hydrocarbons: Thermochemical properties, reaction paths and kinetic parameters

Document Type

Conference Proceeding

Publication Date

3-1-2004

Abstract

The study of soot formation under moderate to low (∼ 1100 K), temperatures and pyrolytic conditions, no oxygen, with small hydrocarbons like acetylene, ethylene, methane, propane or propylene in flow reactors is of interest for nanotube formation, and for many solid carbon products such as brake pads and carbon black, etc. A fundamental understanding of soot formation chemistry is important to reducing soot emissions from vehicles and other combustion sources. Incipient with a substitution reaction of methyl radical with methane, ethane, and hydrogen will be formed. This transition state has a barrier of 51.24 kcal/mole and is lower than the bond dissociation in methane with 104 kcal/mole. In the next step CH3 interacts with ethane to abstract a hydrogen and C2H5 and CH4 was build over an activation barrier of ∼14 kcal/mole. An additional methyl radical reacts with ethylene and produce n-propyl radical which directly can loose a hydrogen atom and forms propylene. C3H6 could interact with methyl in two different possibilities.

Identifier

2542426815 (Scopus)

Publication Title

ACS Division of Fuel Chemistry Preprints

ISSN

05693772

Issue

1

Volume

49

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