DOI: 10.1016/j.jcou.2018.06.024
Scopus记录号: 2-s2.0-85049534809
论文题名: Understanding the role of Ni-Sn interaction to design highly effective CO2 conversion catalysts for dry reforming of methane
作者: Guharoy U. ; Le Saché E. ; Cai Q. ; Reina T.R. ; Gu S.
刊名: Journal of CO2 Utilization
ISSN: 22129820
出版年: 2018
卷: 27 起始页码: 1
结束页码: 10
语种: 英语
英文关键词: Bimetallic catalyst
; DFT calculations
; DRM
; Ni-Sn surface model
; Surface alloy
Scopus关键词: Carbon dioxide
; Catalyst activity
; Density functional theory
; Design for testability
; Methane
; Sintering
; Synthesis gas
; Bimetallic catalysts
; CO2 reforming of methane
; Conventional catalyst
; DFT calculation
; Dry reforming-of-methane
; Experimental approaches
; Surface alloys
; Surface modeling
; Nickel
英文摘要: CO2 reforming of methane is an effective route for carbon dioxide recycling to valuable syngas. However conventional catalysts based on Ni fail to overcome the stability requisites in terms of resistance to coking and sintering. In this scenario, the use of Sn as promoter of Ni leads to more powerful bimetallic catalysts with enhanced stability which could result in a viable implementation of the reforming technology at commercial scale. This paper uses a combined computational (DFT) and experimental approach, to address the fundamental aspects of mitigation of coke formation on the catalyst's surface during dry reforming of methane (DRM). The DFT calculation provides fundamental insights into the DRM mechanism over the mono and bimetallic periodic model surfaces. Such information is then used to guide the design of real powder catalysts. The behaviour of the real catalysts mirrors the trends predicted by DFT. Overall the bimetallic catalysts are superior to the monometallic one in terms of long-term stability and carbon tolerance. In particular, low Sn concentration on Ni surface effectively mitigate carbon formation without compromising the CO2 conversion and the syngas production thus leading to excellent DRM catalysts. The bimetallic systems also presents higher selectivity towards syngas as reflected by both DFT and experimental data. However, Sn loading has to be carefully optimized since a relatively high amount of Sn can severely deter the catalytic performance. © 2018 The Authors. Published by Elsevier Ltd. Citation statistics:
资源类型: 期刊论文
标识符: http://119.78.100.158/handle/2HF3EXSE/111806
Appears in Collections: 气候减缓与适应
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作者单位: Department of Chemical and Process Engineering, Faculty of Engineering and Physical Sciences, University of Surrey, Guildford, United Kingdom
Recommended Citation:
Guharoy U.,Le Saché E.,Cai Q.,et al. Understanding the role of Ni-Sn interaction to design highly effective CO2 conversion catalysts for dry reforming of methane[J]. Journal of CO2 Utilization,2018-01-01,27