Dynamic Microkinetic Modeling for Heterogeneously Catalyzed Hydrogenation Reactions: a Coverage-Oriented View

非均相催化氢化反应的动态微观动力学建模:一种基于覆盖率的视角

阅读:1

Abstract

In most studies, the microkinetics for multistep reactions are numerically solved due to their complexity; the obtained numerical results are only valid under given reaction conditions at a static point. In this work, the microkinetics of heterogeneously catalyzed hydrogenation reactions are analytically solved as a function of three coupled physical parameters, which are energy, reaction rate, and coverage. The results correlate the surface reactions and the gaseous-phased reactant/product by energy and thus provide a dynamic view over the whole reaction process rather than at a static point. The analytical expressions are given for a simple hydrogenation reaction and three more complicated hypothetical hydrogenation reactions with side products, side reaction paths, or even multiple active sites. Compared with the numerical solution, the analytical solution is valid under all reaction conditions in practice and can provide more guidance to optimize the overall outcome or catalyst development.

特别声明

1、本页面内容包含部分的内容是基于公开信息的合理引用;引用内容仅为补充信息,不代表本站立场。

2、若认为本页面引用内容涉及侵权,请及时与本站联系,我们将第一时间处理。

3、其他媒体/个人如需使用本页面原创内容,需注明“来源:[生知库]”并获得授权;使用引用内容的,需自行联系原作者获得许可。

4、投稿及合作请联系:info@biocloudy.com。