Flame Structure and Kinetics in Chlorinated Hydrocarbon Combustion

该方案是正在进行的氯代烃燃烧火焰结构和动力学领域研究项目的继续。在本计划的前半部分，研究将包括修改现有的燃烧器设置，以研究在HCl和CH3Cl存在下的CO火焰；将研究预混和非预混火焰。速度、温度和物质浓度场将通过激光诊断程序进行测量。此外，还将进行数值模拟，以验证现有的在HCl和CH3Cl存在下的CO反应机理，并重新审查对以前的氯甲烷工作的修改。利用扩展的诊断程序获得的新的火焰结构测量结果，将在数值计算和实验之间进行全面的比较。在该计划的后半部分，研究将使用氯甲烷、二氯甲烷、三氯乙烯、氧气和氮气的混合物来研究较高的氯/氢比对全球火焰特性和火焰结构的影响。在这些高度氯化的条件下，还将通过对火焰结构的非侵入性映射，在预混和非预混火焰中检查两级火焰结构的存在。最后，将详细调查碳烟形成的趋势，并研究可能的控制方法。实验结果为验证火焰结构数值模拟中所采用的详细反应机理提供了依据。这样的比较应该有助于深入了解CHCs的氧化机制。此外，通过灵敏度分析识别重要物种和反应步骤，可以开发简化、简化的机理来描述CHC火焰的化学；这些简化的机制将能够将真实的有限速率化学模型纳入焚烧炉中发现的湍流和/或三维火焰结构的模拟中，并最终开发安全、优化的焚烧炉运行的设计能力。

This program is a continuation of an on-going research project in the area of flame structure and kinetics in the combustion of chlorinated hydrocarbons (CHCs). In the first half of this program, the research will involve modifying an existing burner setup to study CO flames in the presence of HCl and CH3Cl; both premixed and nonpremixed flames will be studied. Velocity, temperature, and species concentration fields will be measured via laser diagnostic procedures. In addition, numerical simulations for validation of the existing CO reaction mechanisms in the presence of HCl and CH3Cl will be carried out, with modifications to previous chloromethane work being re-examined. With the new flame structure measurements obtained with the expanded diagnostic procedures, comprehensive comparisons will be made between numerics and experiments. In the second half of the program, the research will involve studies of the influence of higher Cl/H ratios on global flame characteristics and flame structure using mixtures of chloromethane, dichloromethane, trichloroethylene, oxygen, and nitrogen. Under these highly chlorinated conditions, the existence of two-stage flame structures will also be examined in premixed and nonpremixed flames, again through non-intrusive mapping of the flame structure. Finally, the tendency of soot formation will be investigated in detail and possible control approaches examined. The experimental results are anvicipated to provide a basis for validation of detailed reaction mechanisms employed in the numerical simulation of flame structures. Such comparisons should provide useful insight into the oxidation mechanisms of CHCs. In addition, through identification of the important species and reaction steps via sensitivity analysis, simplified, reduced mechanisms can be developed to describe the chemistry of CHC flames; these reduced mechanisms will enable incorporation of realistic finite-rate chemistry models into simulation of turbulent and/or three-dimensional flame structures found in incinerators, with ultimate development of design capability for safe, optimal incinerator operation.