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Despite significant research efforts, designing bimetallic catalysts rationally remains a challenging task. Herein, we combine the strengths of high-throughput experiments and DFT calculations synergistically to design new core-shell bimetallic catalysts. The total oxidation of propane is used as a probe, proof-of-concept reaction. The methodology is successful in designing three bimetallic catalysts. Of these catalysts, AgPd is cheaper, more active than the existing most active single-metal catalyst (Pt), and stable under the reaction conditions. Extended X-ray absorption fine structure characterization confirms the formation of a bimetallic alloy. This study provides a path forward for designing bimetallic catalysts rationally for vapor phase metal-catalyzed reactions. [ABSTRACT FROM AUTHOR]

The effect of distributor and channel positions on flowuniformityin a high-throughput reactor is studied using a COMSOL MULTIPHYSICS,CFD package. The best design is subsequently fabricated and evaluatedfor propane total oxidation reaction at low conversions. Comparisonof our design with a literature design is also presented. The resultsindicate that the conical distributor performs significantly betterin terms of flow uniformity as compared to the commonly used discshaped distributor. The flow uniformity is improved when the centralchannel is removed from the design, indicating that the channel arrangementalso affects the flow uniformity. The experimental results on flowuniformity are in good agreement with simulation. The deviation inconversion of propane from channel to channel is within experimentalerror, indicating that the reactor can reliably screen catalysts anddeliver kinetics. A half a dozen catalysts were tested for completepropane oxidation using the developed technology. [ABSTRACT FROM AUTHOR]