Accession Number:

ADA555986

Title:

Aromatic Radicals-Acetylene Particulate Matter Chemistry

Descriptive Note:

Final rept. Jul 2007-Dec 2011

Corporate Author:

ILLINOIS UNIV AT CHICAGO

Personal Author(s):

Report Date:

2011-12-01

Pagination or Media Count:

147.0

Abstract:

In the present work the pyrolytic reactions of the phenyl radical in the presence of acetylene have been studied as a possible pathway to the formation of the second-ring species. In addition, the oxidation of m-xylene was investigated. The experimental work has been conducted using the single-pulse high-pressure shock tube HPST at the University of Illinois at Chicago. A new experimental set-up, for use with the HPST, was studied and developed for accurate measurement of large compounds. The experimental results were utilized to develop and validate comprehensive chemical kinetic models which constitute the base for the development of comprehensive soot models for predicting emissions in order to address regulatorylegislative concerns. In addition, a theoretical study was performed using ab-initio quantum mechanics calculations which addressed the possible role of the radical -bond addition reactions in the formation of PAH compounds.

Subject Categories:

  • Organic Chemistry

Distribution Statement:

APPROVED FOR PUBLIC RELEASE