Kinetics of elementary processes relevant to incipient soot formation. Final technical report | Zendy

M. C. Lin | Zendy

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Kinetics of elementary processes relevant to incipient soot formation. Final technical report

Author(s) -

M. C. Lin

Publication year - 1998

Publication title -

osti oai (u.s. department of energy office of scientific and technical information)

Language(s) - English

Resource type - Reports

DOI - 10.2172/573205

Subject(s) - soot , chemistry , elementary reaction , combustion , mass spectrometry , pyrolysis , reaction rate constant , kinetics , chemical kinetics , ab initio , reaction mechanism , infrared , infrared spectroscopy , computational chemistry , organic chemistry , catalysis , physics , chromatography , quantum mechanics , optics

In order to better understand the mechanism of soot formation (one of the most challenging problems in the study of hydrocarbon combustion chemistry), reliable rate constants for the key reaction steps involved in the formation and polymerization of aromatic hydrocarbons in the inception stage are required for kinetic modeling. In this DOE sponsored work, the authors have developed three new experimental methods: cavity ring-down (CRD) spectrometry, pyrolysis/Fourier transform infrared spectrometry (p/FTIRS) and pulsed laser photolysis/mass spectrometry (PLP/MS) for kinetic measurements of C{sub 6}H{sub 5} reactions pivotal to incipient soot formation chemistry. In addition, the authors have also carried out ab initio molecular orbital (MO) calculations for several key elementary combustion reactions relevant to soot formation. The results are briefly summarized in the report using selected examples for more detailed discussion. 84 refs

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