期刊
GREEN ENERGY & ENVIRONMENT
卷 6, 期 4, 页码 597-606出版社
KEAI PUBLISHING LTD
DOI: 10.1016/j.gee.2020.05.010
关键词
Desulfurization; Ni/ZnO; Sulfur transfer; S zorb process; Mechanism
类别
资金
- Sinopec [118016-8]
The reactive adsorption behavior of thiophene on the reduced Ni/ZnO sample was investigated through theoretical and experimental studies. The sulfur-removal process involves formation of S-Ni bond, leading to cleavage of C-S bond and formation of Ni3S2 phase and S-free C4 olefin. Two essential features for efficient S-transfer were identified as H-2 atmosphere and close contact between the two phases.
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 pi-complexation mode over metallic Ni. During desulfurization, the S-Ni bond is formed and the C-S 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 H-2. 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 H-2 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. (C) 2020, Institute of Process Engineering, Chinese Academy of Sciences. Publishing services by Elsevier B.V. on behalf of KeAi Communications Co., Ltd.
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