Citation: Yanyan Guo, Chengna Dai, Zhigang Lei. Hydrogenation of 2-ethylanthraquinone with bimetallic monolithic catalysts: An experimental and DFT study[J]. Chinese Journal of Catalysis, ;2018, 39(6): 1070-1080. doi: 10.1016/S1872-2067(18)63035-9 shu

Hydrogenation of 2-ethylanthraquinone with bimetallic monolithic catalysts: An experimental and DFT study

State Key Laboratory of Chemical Resource Engineering, Beijing University of Chemical Technology, Beijing 100029, China

Received Date: 27 December 2017
Revised Date: 24 January 2018

Fund Project: This work was supported by the National Natural Science Foundation of China (21476009, 21406007, U1462104).

We studied the hydrogenation of 2-ethylanthraquinone (eAQ) over Pd/SiO₂/COR (COR=cordierite) monometallic and Pd-M/SiO₂/COR (M=Ni, Fe, Mn, and Cu) bimetallic monolithic catalysts, which were prepared by the co-impregnation method. Detailed investigations showed that the particle sizes and structures of the Pd-M (M=Ni, Fe, Mn, and Cu) bimetallic monolithic catalysts were greatly affected by the second metal M and the mass ratio of Pd to the second metal M. By virtue of the small particle size and the strong interaction between Pd and Ni of Pd-Ni alloy, Pd-Ni bimetallic monolithic catalysts with the mass ratio of Pd/Ni=2 achieved the highest H₂O₂ yield (7.5 g/L) and selectivity (95.3%). Moreover, density functional theory calculations were performed for eAQ adsorption to gain a better mechanistic understanding of the molecule-surface interactions between eAQ and the Pd(1 1 1) or PdM(1 1 1) (M=Ni, Fe, Mn, and Cu) surfaces. It was found that the high activity of the bimetallic Pd-Ni catalyst was a result of strong chemisorption between Pd₃Ni₁ (1 1 1) and the carbonyl group of eAQ.
- Bimetallic monolithic catalyst,
- Alloy,
- 2-Ethylanthraquinone hydrogenation,
- DFT calculation,
- Synergistic effect
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