Kinetics of Key Radical Reactions for Use in Chemical Models of Chlorinated Hydrocarbon Combustion

Catholic University Of America, Washington DC

Investigators

Abstract

Abstract CTS-0105239 V. Knyazev, Catholic University In this study the kinetics and mechanisms of reactions of chlorinated hydrocarbon radicals is studied over wide ranges of temperature and pressure using the laser photolysis/ photoionization mass spectrometry (LP/PIMS) technique. Particular systems investigated include (1) reactions of chlorinated radicals (CH2, Cl, CHCl2, CCl3) with methyl (CH3); (2) reactions of chlorinated methyl radicals with molecular oxygen (O2) at high temperatures; and (3) the unimolecular decompositions of C2Cl3 and delocalized chlorinated hydrocarbon radicals, as well as their reactions with O2, oxygen atoms, and chlorine (Cl2). Experimental kinetic results are analysis using transition-state theory, RRKM, and Master Equation approaches. The information generated in this effort will lead to improved models of combustion of chlorinated hydrocarbons (CHCs). This should enable more efficient incineration of CHC waste and reduction of hazardous emissions. This award is support jointly by the Combustion and Plasma Systems Program and the Experimental Physical Chemistry Program.