Impact Factor 2023: 10.7
Impact Factor 2023: 10.7
| Citation: | Ye Song, Bo Peng, Xue Yang, Qiuqiao Jiang, Jun Liu, Wei Lin. Trail of sulfur during the desulfurization via reactive adsorption on Ni/ZnO. Green Energy&Environment, 2021, 6(4): 597-606. doi: 10.1016/j.gee.2020.05.010
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The reactive adsorption behavior of thiophene on the reduced Ni/ZnO sample was investigated by a combination of theoretical and experimental study. It is widely accepted that Ni is responsible for the sulfur-removal of thiophene to release S-free hydrocarbons. Such surface reaction was simulated by DFT method. It is demonstrated that thiophene is mainly adsorbed as π-complexation mode over metallic Ni. During desulfurization, the Ssingle bondNi bond is formed and the Csingle bondS bond is thus split without pre-hydrogenation, resulting in the formation of Ni3S2 phase and S-free C4 olefin which can be further saturated in the presence of H2. The S-transfer between Ni3S2 and ZnO was monitored by in-situ XRD and STEM with EDS mapping. Two essential features were identified for efficient S-transfer, namely, 1) the H2 atmosphere, and 2) the two phases are presented with close contact. Based on the acquired information, a general scenario of sulfur trail has been proposed for the desulfurization of thiophene on Ni/ZnO.
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