Efficient design of catalyst requires a clear understanding of the synthesis-performance relationships. Fundamental and empirical information is required to elucidate how multiple factors affect both the catalyst structure and the catalytic activity. Such factors include particle size, surface structure, composition, and synthesis method. Statistical Design of Experiments (DOE) methodology in combination with rapid screening and in situ spectroscopy can help the researcher to connect the interactions between the factors and a few cases of this process will be illustrated.<br/>One example will focus on ethane partial oxidation (EPO), a reaction to upgrade ethane found in shale gas. Catalysts are typically prepared through trial and error approaches without a detailed understanding of the highly correlated relationships between the synthesis parameters, structure factors, and the catalytic activity. We utilize DOE to elucidate the relationship between different synthesis parameters and their effect on the catalytic activity and selectivity of EPO. Specifically, we explore the effects of dopant addition to a base MoVNbO catalyst, which has shown promising activity for EPO and other hydrocarbon partial oxidations. Links between synthesis parameters to activity and selectivity, but also changes in activity to changes in redox properties, morphology, or the catalyst composition will be established.<br/>The second example will demonstrate how rational tuning of catalyst surface orientations on the nanoscale can lead to superior catalysts via suppressing site-blocking species. The system studied are cobalt catalysts for Fischer-Tropsch synthesis and CO<sub>2</sub> methanation. Tuning catalyst surface structures can control the surface species to achieve higher activity and selectivity. High-pressure FTIR and Raman spectroscopy provide insight into the reaction mechanism on catalyst surfaces with different surface orientations.

Synthesis-property-mechanism relationships for catalysts via statistically guided methods

255th National Meeting (2018)

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