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非均相催化过程的结构相关微动力学分析:方法与应用

Structure-dependent microkinetic analysis of heterogeneous catalytic processes: methodology and applications
课程网址: http://videolectures.net/preglov_maestri_catalytic_processes/  
主讲教师: Matteo Maestri
开课单位: 米兰理工学院
开课时间: 2018-09-25
课程语种: 英语
中文简介:
毫无疑问,合理解释催化反应中的构效关系是探索分子化学转化的一项重要任务。在这方面,基于结构相关的微动力学模型的多尺度分析被认为是实现对催化剂功能性的详细机械理解的关键工具。然而,目前最新的微动力学模型忽略了催化剂结构对反应性和选择性的影响。在这篇演讲中,我将介绍一种分析多相催化结构-活性关系的方法学的发展,这种方法是在理论和实验之间的双反馈回路中,以不同精度的层次组合方法。这包括开发新的实验工具和第一性原理分析。本文将介绍CH4活化合成气的实例。
课程简介: There is no doubt that the rational interpretation of the structure-activity relation in catalysis is a crucial task in the quest of engineering the chemical transformation at the molecular. In this respect, multiscale analysis based on structure-dependent microkinetic modelling is acknowledged to be the essential key-tool to achieve a detailed mechanistic understanding of the catalyst functionality. However, the effect of the structure of the catalyst on reactivity and selectivity is at present neglected in state-of-the-art microkinetic modelling. In this talk, I will present the development of a methodology for the analysis of the structure-activity relation in heterogeneous catalysis by hierarchically combining methods at different levels of accuracy in a dual feed-back loop between theory and experiments. This includes the development of both novel experimental tools and first-principles analysis. Selected examples in the context of CH4 activation to syngas will be presented.
关 键 词: 催化反应; 微动力学; 催化剂结构
课程来源: 视频讲座网
数据采集: 2020-11-29:yxd
最后编审: 2021-09-20:zyk
阅读次数: 82