Kinetics of Elementary Processes Relevant to Incipient Soot Formation

Lin, M C ; Heaven, M C

DOI  :  10.2172/1063894
RP-ID  :  DOE/ER/14784-2 Final Report
PID  :  OSTI ID: 1063894

学科分类：化学（综合）

美国|英语

来源: SciTech Connect

【 摘 要 】

Soot formation and abatement processes are some of the most important and challenging problems in hydrocarbon combustion. The key reactions involved in the formation of polycyclic aromatic hydrocarbons (PAH's), the precursors to soot, remain elusive. Small aromatic species such as C5H5, C6H6 and their derivatives are believed to play a pivotal role in incipient soot formation. The goal of this project is to establish a kinetic database for elementary reactions relevant to soot formation in its incipient stages. In the past year, we have completed by CRDS the kinetics for the formation and decomposition of C6H5C2H2O2 in the C6H5C2H2 +O2 reaction and the formation of C10H7O2 in the C10H7 + O2 reaction by directly monitoring C6H5C2H2O2 and C10H7O2 radicals in the visible region; their mechanisms have been elucidated computationally by quantum-chemical calculations. The O + C2H5OH reaction has been studied experimentally and computationally and the OH + HNCN reaction has been investigated by ab initio molecular orbital calculation. In addition, a new pulsed slit molecular beam system has been constructed and tested for spectroscopic studies of aromatic radicals and their derivatives by the cavity ringdown technique (CRDS).