《固体催化剂的研究方法》.ppt

* 2003. 1. 14 申 文 杰 催 化 反 应 化 学 课 题 组 Catalytic Reaction Chemistry Group 固体催化剂的研究方法 Ⅱ 催化反应的动态监测技术 多相催化研究方法 实际催化剂 模型催化剂 合成表征反应 反应动力学 探索催化反应本质 引导实际催化材料的发展 真空表面分析技术 Pressure Gap Materials Gap 发展高效催化剂 催化反应动力学 稳态动力学技术 瞬态动力学技术 建立反应速率和操作条件参数间的定量关系， 提出正确的反应机理， 预测反应条件时的速率变化。 LHHW型： 吸附---表面反应---脱附 稳态同位素瞬态动力学--SSITKA 一个或多个快速变化的状态变量引如系统并跟踪发生的系统变化。 温度----程序升温技术 同位素示踪 产物瞬时分析技术（TPA） 瞬变应答技术（Transient Response) 光谱跟踪技术 Monitoring of Reactions Mid Infrared Spectroscopy The idea is that the characteristic peak for each compound that is IR active changes with time and this change can then be used to follow the reaction Near Infrared Spectroscopy One problem with NIR is that compounds often do not exhibit highly characteristic peaks, and often the changes are more subtle and in small regions of the spectrum UV/vis spectroscopy Raman spectroscopy Raman spectroscopy probes have become fashionable. This technique is an alternative to MIR, but the relative intensities of bands differ in the two techniques, however, many of the same methods can be employed to analyse the data. Summary of main data analysis techniques The following data analytical techniques are most common for the analysis of on-line spectroscopic data from reactions using different spectroscopies. MIR and Raman. Generally conventional kinetic curve fitting of peak areas, but some deconvolution necessary if overlapping peaks. NIR. Usually multivariate calibration such as PLS and a number of related classical chemometrics methods. EAS. Deconvolution using MLR (multiple linear regression) and pure standards, plus multivariate calibration. Of course life is never so simple and some quite sophisticated approaches have been developed in recent years to extract more information from these highly informative but sophisticated data matrices as will be discussed in the next article. It is of interest to consider the ways in which the presence of zirconia either as a support or an additive enhances the rate of methanol s