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- W4210273622 abstract "A systematic study on the structure sensitivity, host effect, and the deactivation mechanism of Ir-catalyzed selective hydrogenation of 1,3-butadiene, a key process in the purification of alkadiene for the upgrading of C4 cut, is presented by coupling steady-state catalytic testing, in-depth characterization, kinetic evaluation, and density functional theory calculations. We reveal that: (i) 1,3-Butadiene hydrogenation on iridium is structure-sensitive with the optimal particle size of about 2 nm, and the H2 dissociation energy is a reliable activity descriptor; (ii) The nature of the NC hosts exerts a critical impact on the catalytic performance, and balanced nitrogen content and speciation seem key for the optimized performance; and (iii) Different deactivation mechanisms occur: fouling by coke deposition on the catalysts with a high N:C ratio (>1), and site blockage due to the competitive adsorption between 1-butene/cis-2-butene and 1,3-butadiene. These molecular insights provide valuable guidelines for the catalyst design in selective hydrogenations." @default.
- W4210273622 created "2022-02-08" @default.
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- W4210273622 date "2022-06-01" @default.
- W4210273622 modified "2023-10-16" @default.
- W4210273622 title "Selective hydrogenation of 1,3-butadiene on iridium nanostructures: Structure sensitivity, host effect, and deactivation mechanism" @default.
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- W4210273622 doi "https://doi.org/10.1016/j.jechem.2022.01.040" @default.
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