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多相催化反应动力学研究中的实验与理论方法

Experimental and theoretical methods in kinetic studies of heterogeneously catalyzed reactions.

作者信息

Reyniers Marie-Françoise, Marin Guy B

机构信息

Laboratory for Chemical Technology (LCT), Ghent University, B-9052 Ghent, Belgium; email:

出版信息

Annu Rev Chem Biomol Eng. 2014;5:563-94. doi: 10.1146/annurev-chembioeng-060713-040032.

Abstract

This review aims to illustrate the potential of kinetic analysis in general and microkinetic modeling in particular for rational catalyst design. Both ab initio calculations and experiments providing intrinsic kinetic data allow us to assess the effects of catalytic properties and reaction conditions on the activity and selectivity of the targeted reactions. Three complementary approaches for kinetic analysis of complex reaction networks are illustrated, using select examples of acid zeolite-catalyzed reactions from the authors' recent work. Challenges for future research aimed at defining targets for synthesis strategies that enable us to tune zeolite properties are identified.

摘要

本综述旨在阐述动力学分析的潜力,尤其是微观动力学建模在合理设计催化剂方面的潜力。从头算计算和提供本征动力学数据的实验,都使我们能够评估催化性能和反应条件对目标反应活性和选择性的影响。本文通过作者近期工作中酸催化沸石反应的实例,阐述了复杂反应网络动力学分析的三种互补方法。同时也确定了未来研究面临的挑战,这些研究旨在确定合成策略的目标,从而能够调控沸石的性能。

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