催化化学英文.pptx

第1页/共35页催化反应动力学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。瞬态动力学技术稳态动力学技术LHHW型： 吸附---表面反应---脱附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----程序升温技术稳态同位素瞬态动力学--SSITKA同位素示踪光谱跟踪技术产物瞬时分析技术（TPA）瞬变应答技术（Transient Response)第2页/共35页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 第3页/共35页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 第4页/共35页UV/vis spectroscopy第5页/共35页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.第6页/共35页Summary of main data analysis techniquesThe 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. 第7页/共35页In-SituInfrared Study of Methanol Synthesis from H2/CO2 over Cu/SiO2 and Cu/ZrO2/SiO2 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 synthesis. zirconia promotes the rate of methanol formation occurring on the surface o