NSF Young Investigator

摘要：该研究探索了有毒燃烧副产物形成的基本过程和化学途径。通过实验和计算研究，对多环芳烃（PAHs）和煤烟的着火和熄灭现象、碳生长途径以及氯有机废物的热解转化和氧化破坏进行了研究。实验将在滴管式反应器中进行。将采用气相色谱、液相色谱、质谱、红外和紫外检测方法对异构体进行特异性鉴定和定量。与这些实验相结合，将开发用于定量分析速率限制现象的简化动力学数据集，并利用分子轨道模型帮助确定反应途径。

9457028 ABSTRACT CTS-9457028 PI-Mulholland The research explores fundamental processes and chemical pathways governing the formation of toxic combustion byproducts. Experimental and computational studies are proposed to study ignition and extinction phenomena, carbon growth pathways to polycyclic aromatic hydrocarbons (PAHs) and soot, and the pyrolytic transformation and oxidative destruction of chloro-organic wastes. The experiments will be conducted in a drop-tube reactor. Gas and liquid chromatography with mass spectroscopy, infrared and ultraviolet detection methods will be employed to provide isomer specific identification and quantification. Coupled with these experiments will be the development of reduced kinetic data sets for quantitative analysis of rate limiting phenomena and the utilization of molecular orbital models help to identify reaction pathways.