DOI: 10.1016/j.jcou.2018.09.024
Scopus记录号: 2-s2.0-85054387527
论文题名: CO2 capture and separation over N2 and CH4 in nanoporous MFM-300(In, Al, Ga, and In-3N): Insight from GCMC simulations
作者: Wu Z. ; Wei S. ; Wang M. ; Zhou S. ; Wang J. ; Wang Z. ; Guo W. ; Lu X.
刊名: Journal of CO2 Utilization
ISSN: 22129820
出版年: 2018
卷: 28 起始页码: 145
结束页码: 151
语种: 英语
英文关键词: Carbon capture and separation
; CO2 adsorption
; MFM-300
; Selectivity
英文摘要: CO2 capture and separation over N2 and CH4 in MFM-300(In, Al, Ga, and In-3N) were investigated by grand canonical Monte Carlo (GCMC) simulations. Results showed that four nanoporous MFM-300 materials could construct a feasible CO2 adsorption environment with suitable surface area, pore size, and porosity. MFM-300(In) exhibited an excellent CO2 adsorption uptake of 8.0 mmol g-1 at 298 K and 1.0 bar. At the low pressures, the CO2 adsorption uptake was in the sequence of MFM-300(In) > MFM-300(Al) > MFM-300(Ga) > MFM-300(In-3N) with the sharp "ramp-up" type selectivity. At the equilibrium state, the selectivities of CO2/N2 and CO2/CH4 in MFM-300(In) reached up to 300 and 120, respectively. The adsorption heat and interactions of CO2-CO2 and CO2-framework were then analyzed to elucidate the adsorption ability, adsorption uptake, selectivity, and interaction mode of three gases in four MFM-300 materials. This work highlighted the potential nanoporous materials of MFM-300(In, Al, Ga, and In-3N) for CO2 capture and separation over N2 and CH4. © 2018 Elsevier Ltd. Citation statistics:
资源类型: 期刊论文
标识符: http://119.78.100.158/handle/2HF3EXSE/111767
Appears in Collections: 气候减缓与适应
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作者单位: School of Materials Science and Engineering, China University of Petroleum, Qingdao, Shandong, 266580, China; College of Science, China University of Petroleum, Qingdao, Shandong, 266580, China; Institute of Advanced Materials, China University of Petroleum, Qingdao, Shandong, 266580, China
Recommended Citation:
Wu Z.,Wei S.,Wang M.,et al. CO2 capture and separation over N2 and CH4 in nanoporous MFM-300(In, Al, Ga, and In-3N): Insight from GCMC simulations[J]. Journal of CO2 Utilization,2018-01-01,28