Comprehensive Study on Kinetic Modeling of Liquid-Phase Selective Oxidation Using Au-Supported Catalysts for Efficient Production of Value-Added Chemicals from Glycerol

A novel kinetic model for liquid-phase selective oxidation of glycerol over Au-supported catalysts, involving the reactions in the bulk liquid phase, the formation of reactive oxygen species on Au metal and support, and three reactions of different oxygen species, was developed. The innovations of this model are that the catalyst has two types of active sites, definition of the coverage of active sites on the Au (as alpha), and the consideration of the different active species involved in each reaction. This approach enabled optimization of the reaction conditions and highlighted aspects of the catalyst design to maximize the target product yield. The model is highly versatile and successfully predicts the oxidation behavior under a wide range of conditions. It also predicted the experimental results reported by other researchers. Therefore, the model is expected to be a useful tool for catalyst design and prediction of reaction conditions in liquid-phase biomass conversion.

Automated summary

A novel kinetic model was developed for the liquid-phase selective oxidation of glycerol over Au-supported catalysts. The model considers reactions in the bulk liquid phase, formation of reactive oxygen species on Au metal and support, and three reactions of different oxygen species. It enables optimization of reaction conditions and prediction of oxidation behavior, making it a useful tool for catalyst design and biomass conversion reaction conditions.