ABSTRACT --- CTS-9311848 Controlled thermal combustion offers the potential as an effective treatment process for the disposal of organic hazardous chemical wastes. Senkan and Gutman have developed an approach which they refer to as their integrated macroscopic-microscopic program and it is proposed to expand this work to the study of chlorinated C3 alkanes, alkenes and dichlorobenzene with particular attention given to isomer specific reactions. Senkan will have cognizance over the macroscopic program in which CHC's are burned in a flat flame configuration or in heated flow reactors for the determination of concentration profiles of reactants, intermediates and products. Specifically, concentration profiles of the major and minor intermediates in the combustion of 1-C3H7Cl, 2-C3H7Cl, CH2CHCH2Cl, CH2CClCH3, CHClCHCH3, and o-, p-, and m--C6H4Cl2 at one atmosphere will be determined. These data will be used to develop Detailed Chemical Kinetic Mechanisms (DCKM) describing the combustion. The microscopic portion of the program will be undertaken by Gutman, using laser photolysis and photoionization mass spectrometry to study individual elemental reactions of chlorine-containing free radicals and of atoms and free radicals with chlorine-containing stable reaction intermediates and products. In addition computational studies of the rates of individual elemental reactions using quantum mechanical and SAR techniques will be conducted. Sensitivity analysis will be used to determine new rank-order of reactions.
