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Title: The formation of aromatic and polycyclic aromatic hydrocarbons in rich, premixed, laminar flames

Abstract

The U.S. Clean Air Act Amendments of 1990 has focused attention on the emission of 189 compounds called air toxic species. Many of these compounds are aromatic hydrocarbons and polycyclic aromatic hydrocarbons (PAH). In the present collaborative research program, PAH formation was investigated in the well-controlled, well-characterized environment of a laboratory burner, and the experimental results were used to develop a new chemical kinetic mechanism for PAH formation. Species profiles were measured in a rich, sooting, premixed, atmospheric, laminar flames for methane, ethene and ethane. A GC/MS analytic system was used to obtain concentration measurements of a wide spectrum of aromatics and PAH`s. The modeling results show that the key step leading to benzene in these flames is H{sub 2}CCCH F {yields} C{sub 6}H{sub 5}(phenyl) + H. Additionally, new reaction steps involving the recombination of resonantly stabilized radicals have been used to describe the formation of substituted aromatics and PAH`s.

Authors:
; ;  [1]
  1. Lawrence Livermore National Lab., Livermore, CA (United States); and others
Publication Date:
OSTI Identifier:
370004
Report Number(s):
CONF-960376-
TRN: 96:003805-0053
Resource Type:
Conference
Resource Relation:
Conference: Spring national meeting of the American Chemical Society (ACS), New Orleans, LA (United States), 24-28 Mar 1996; Other Information: PBD: 1996; Related Information: Is Part Of 211th ACS national meeting; PB: 2284 p.
Country of Publication:
United States
Language:
English
Subject:
03 NATURAL GAS; 02 PETROLEUM; 40 CHEMISTRY; BENZENE; SYNTHESIS; ETHANE; COMBUSTION; METHANE; FOSSIL FUELS; AROMATICS; FLAMES; HYDROCARBONS; POLYCYCLIC AROMATIC HYDROCARBONS; RADICALS; YIELDS; COMBUSTION PRODUCTS; GAS CHROMATOGRAPHY; MASS SPECTRA; ALKENES

Citation Formats

Marinov, N M, Pitz, W J, and Westbrook, C K. The formation of aromatic and polycyclic aromatic hydrocarbons in rich, premixed, laminar flames. United States: N. p., 1996. Web.
Marinov, N M, Pitz, W J, & Westbrook, C K. The formation of aromatic and polycyclic aromatic hydrocarbons in rich, premixed, laminar flames. United States.
Marinov, N M, Pitz, W J, and Westbrook, C K. 1996. "The formation of aromatic and polycyclic aromatic hydrocarbons in rich, premixed, laminar flames". United States.
@article{osti_370004,
title = {The formation of aromatic and polycyclic aromatic hydrocarbons in rich, premixed, laminar flames},
author = {Marinov, N M and Pitz, W J and Westbrook, C K},
abstractNote = {The U.S. Clean Air Act Amendments of 1990 has focused attention on the emission of 189 compounds called air toxic species. Many of these compounds are aromatic hydrocarbons and polycyclic aromatic hydrocarbons (PAH). In the present collaborative research program, PAH formation was investigated in the well-controlled, well-characterized environment of a laboratory burner, and the experimental results were used to develop a new chemical kinetic mechanism for PAH formation. Species profiles were measured in a rich, sooting, premixed, atmospheric, laminar flames for methane, ethene and ethane. A GC/MS analytic system was used to obtain concentration measurements of a wide spectrum of aromatics and PAH`s. The modeling results show that the key step leading to benzene in these flames is H{sub 2}CCCH F {yields} C{sub 6}H{sub 5}(phenyl) + H. Additionally, new reaction steps involving the recombination of resonantly stabilized radicals have been used to describe the formation of substituted aromatics and PAH`s.},
doi = {},
url = {https://www.osti.gov/biblio/370004}, journal = {},
number = ,
volume = ,
place = {United States},
year = {1996},
month = {10}
}

Conference:
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