Elucidation of formation mechanism of harmful substance generated in the combustion reaction

作为有机氯化合物，我使用了一种正链饱和化合物正链氯乙烷化合物（烯丙基氯）和芳族化合物（氯苯），旨在阐明其在燃烧反应中会产生的有害物质的生成机理并对其进行了研究，阐明了温度与主要热解产物量的关系，（乙烯、乙炔、1，3-丁二烯和氢气），（艾伦，丙炔，丙烯，1，3-丁二烯，乙烯，乙炔，乙烯基乙炔，甲烷，苯和氢）和（苯、乙炔、乙烯基乙炔和氢气）分别与氯乙烷、烯丙基氯和氯苯反应，这成为阐明燃烧反应机理的基础。此外，还测量了不同温度下反应物、产物和中间产物（自由基）在300μs内的时间变化。根据测定结果，确定了基元反应的速率常数 关于我们 并对热解机理进行了初步探讨。我使用了各种测试气体混合物的燃烧，其中添加氧气到氯乙烷，烯丙基氯和氯苯，并测量和阐明温度和主要热解产物的量之间的关系。此外，在不同温度下，测定了反应物、产物、中间产物（自由基）和CO_2（最终产物）在300μs内的时间变化。根据上述热解机理和燃烧反应结果，尝试并确定了它们的燃烧反应机理的构建。建立了能够再现实验结果的氯苯燃烧机理，该机理包含238个反应步骤和93个组分，并利用该机理阐明了反应路径。此外，我确定的速率常数，能够重现测量数据。建立了能够再现测量结果的烯丙基氯燃烧机理，该机理包含374步反应和93种组分，并利用该机理阐明了烯丙基氯燃烧的反应路径。建立了一个能再现实验结果的氯乙烷燃烧机理，该机理包含362步反应和89种组分，并将阐明反应路径。通过用气相色谱仪和质谱仪测量/分析由烯丙基氯和氯苯的高温反应形成的产物，确认了多环芳烃化合物和含有氯化物的化合物。然而，在氯乙烷中，它们的生产没有得到证实。此外，在我们的实验条件下，很明显，大量产生的有毒物质是氯化氢。少

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 … More 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