Fast Kinetics Studies of Analytical Systems

该项目属于分析和表面化学的一般领域，以及信息科学的化学应用的子领域。克劳奇教授和他的学生将使用因子分析和卡尔曼滤波技术从动力学数据中提取分析信息。因子分析将允许识别化学反应速度的特征，并将其与体系中存在的一种反应物的量相关联。卡尔曼滤波是一种能够递归估计系统特性的计算技术。结合适当的计算硬件支持，这些技术将用于从反应速率数据中实时、定量地确定化学物种的浓度。尽管因子分析和卡尔曼滤波技术都已得到很好的应用，但将两者结合应用于动力学分析应该会产生积极的协同作用，这将有利于分析化学的许多领域的应用。

This project is in the general area of analytical and surface chemistry and in the subfield of chemical applications of information science. Professor Crouch and his students will employ factor analysis and Kalman filter techniques to extract analytical information from kinetic data. Factor analysis will permit characteristics of the rate of a chemical reaction to be discerned and related to the amount of one of the reactants that is present in the system. Kalman filtering is a computational technique that enables properties of systems to be recursively estimated. In combination and with appropriate computational hardware support, these techniques will be used for the real- time, quantitative determination of concentrations of chemical species from reaction rate data. Whereas both factor analysis and Kalman filter techniques are well established, the combination of the two applied to kinetic analysis should afford a positive synergism that will be beneficial in many areas of application of analytical chemistry.