| Research Abstract |
As organochlorine compounds, I used a normal chain saturated compound (ethyl chloride), normal chain unsaturate compound (allyl chloride) and an aromatic compound (chlorobenzene) and aimed at elucidation of harmful substance generation mechanism to be able to produce in combustion reaction and studied it. I elucidated relations between temperature and quantities of main pyrolysis products, (ethylene, acetylene, 1,3-butadiene and hydrogen), (Allen, propyne, propylene, 1,3-butadiene, ethylene, acetylene, vinyl acetylene, methane, benzene and hydrogen) and (benzene, acetylene, vinyl acetylene and hydrogen) of ethyl chloride, allyl chloride and chlorobenzene, respectively, which became the basics of combustion reaction mechanism elucidation. In addition, the time variations of reactants, products, and intermediate products (radicals) within 300μs in various kinds of temperature were measured and determined. Elementary reactions and the rate constants based on the measurement result were de
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termined, and the pyrolysis mechanisms were built and elucidated. I used various test gas mixtures for combustion which were added oxygen to ethyl chloride, allyl chloride and chlorobenzene, and measured and elucidated relations between temperature and quantities of main pyrolysis products. In addition, in various kinds of temperature, the time variations of reactants, products, intermediate products (radicals) and CO_2 (end-product) reacted and produced within 300μs, were measured and determined. Construction of combustion reaction mechanisms for these, based on the pyrolysis mechanisms and the combustion reaction results, mentioned above, were tried and determined. Combustion mechanism of chlorobenzene with 238 reaction steps and 93 species, which was be able to reproduce the measurement results, was constructed, and by using the mechanism, the reaction path was clarified. In addition, I determined the rate constants which were able to reproduce the measured data. Combustion mechanism of allyl chloride with 374 reaction steps and 93 species, which was be able to reproduce the measurement results, was constructed, and by using the mechanism, the reaction path was clarified. Combustion mechanism of ethyl chloride with 362 reaction steps and 89 species, which will be able to reproduce the measurement results, is being constructed, and by using the mechanism, the reaction path will be clarified. By measuring / analyzing products formed by the high temperature reaction of the allyl chloride and chlorobenzene with a gas chromatograph and mass spectrometry, polycyclic aromatic hydrocarbon compounds and those of containing chloride were confirmed. However, in ethyl chloride, the production of them was not confirmed. Furthermore, under our experimental conditions, it became clear that a toxic substance generated abundantly was a hydrogen chloride. Less
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