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多相催化过程的结构相关微观动力学分析:方法和应用

Structure-dependent microkinetic analysis of heterogeneous catalytic processes: methodology and applications
课程网址: https://videolectures.net/preglov_maestri_catalytic_processes/  
主讲教师: Matteo Maestri
开课单位: Preglov kolokvij会议
开课时间: 2018-09-25
课程语种: 英语
中文简介:
毫无疑问,合理解释催化中的结构-活性关系是在分子化学转化工程中的一项关键任务。在这方面,基于结构相关微观动力学建模的多尺度分析被认为是实现对催化剂功能的详细机理理解的重要关键工具。然而,目前在最先进的微观动力学建模中,催化剂结构对反应性和选择性的影响被忽略了。在这篇演讲中,我将介绍一种分析多相催化中结构-活性关系的方法的发展,该方法通过在理论和实验之间的双反馈回路中以不同准确度分级组合方法。这包括开发新的实验工具和第一性原理分析。将介绍CH4活化为合成气的选定实例。
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: 多相催化过程; 微观动力学; 方法和应用
课程来源: 视频讲座网
数据采集: 2024-04-25:liyq
最后编审: 2024-04-25:liyq
阅读次数: 6