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

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 acti

SUBMITTER: Liu R 

PROVIDER: S-EPMC8581974 | biostudies-literature | 2021 Nov

REPOSITORIES: biostudies-literature