Metal Combustion Kinetics with Emphasis on Incineration

提出的工作代表了PIs当前计划的扩展，以提供在焚烧过程中重要的有毒金属物种高达高温的单个反应的速率系数和机理数据。在以前的工作中，使用三种不同类型的仪器研究了Cu、Cr、Sn和Cd与氧化剂（N2O、O2、Cl2和HCl）的反应与温度的关系。半经验构型相互作用（SECI）理论也被发展来帮助关联实验结果。拟议的计划将扩展实验工作，包括Ni， Pb， Sb和As在单质，氧化物和氯化物形式下与HCl， O2， CO2和H2O的反应，作为温度的函数，使用高温流动反应器（HTFF），金属高温光化学（MHTP）设备和质谱仪HTFF组合。这些研究将得到半预测理论SECI和MTST（金属过渡态理论）进一步发展的补充，以扩展和比较实验数据。

Abstract Fontijn 9632492 The proposed work represents an extension of the PIs current program to provide rate coefficient and mechanistic data for individual reactions of toxic metal species up to high temperatures which are of importance in incineration processes. In the previous work the reactions of Cu, Cr, Sn and Cd with oxidants such as N2O, O2 , Cl2, and HCl were investigated as a function of temperature using three unique types of apparatus. A semi- empirical configuration interaction (SECI) theory was also developed to help correlate the experimental results. The proposed program will extend the experimental effort to include reactions of Ni, Pb, Sb, and As in elemental, oxide and chloride forms with HCl, O2, CO2, and H2O, as a function of temperature, using the High Temperature Flow Reactor (HTFF), Metals High Temperature Photochemistry (MHTP) apparatus and a mass spectrometer HTFF combination. These studies will be complimented by further development of the semi-predictive theories SECI and MTST (metals transition state theory) in order to extend and compare with the experimental data.