Abstract:

Traditional catalytic reaction kinetics studies focus on macroscopic variables and properties (such as temperature and concentration sensitivity) and can be used to guide the optimal design of industrial reactors, but pay little attention to the effects of catalyst microscale structures and properties. It cannot therefore be used to guide the optimal design of the catalyst. This review mainly discusses the development and application of multifaceted kinetics analysis method, which can discriminate the dominant active sites of supported metal catalysts, and the possibility to use the activation entropy (ΔS^0*) as an experimentally measurable descriptor of catalytic reaction rate, which can be fine-tuned by tailoring the electronic properties of supported metal nanoparticles in terms of the surface chemistry and properties of carbon supports. It can extend the application of the kinetics analysis from the reactor design to the catalyst design.

Key words: reaction kinetics, catalysis, identification of active sites, descriptor, optimal design

摘要：

传统催化反应动力学研究主要关注宏观变量与性质（如温度和浓度敏感性），能用于指导工业反应器的优化设计，但极少关注催化剂微尺度结构与性质的影响，因而不能用于指导催化剂的优化设计。重点介绍了近年来发展的催化反应速率解析的方法，归纳总结了基于动力学分析的催化剂活性位的辨认方法，探讨了易实验测量的活化熵作为催化剂活性描述符的可能性，并阐明了炭载体表面化学性质对负载金属电子结构和催化性能的调变规律，将动力学分析方法的应用从反应器设计拓展到催化剂设计。

关键词: 反应动力学, 催化, 活性位辨认, 活性描述符, 优化设计