DOI: 10.1016/j.jcou.2015.02.006
Scopus记录号: 2-s2.0-84934917360
论文题名: Mechanism of fixation of CO2 in the presence of hydroxyl-functionalized quaternary ammonium salts
作者: Wang L. ; Li P. ; Jin X. ; Zhang J. ; He H. ; Zhang S.
刊名: Journal of CO2 Utilization
ISSN: 22129820
出版年: 2015
卷: 10 起始页码: 113
结束页码: 119
语种: 英语
英文关键词: Catalysis
; CO2
; Hydroxyl-functionalized ionic liquid
; Mechanism
Scopus关键词: Catalysis
; Catalysts
; Functional groups
; Ionic liquids
; Mechanisms
; Salts
; Catalytic performance
; DFT method
; Functionalized
; Functionalized ionic liquids
; Major factors
; Quaternary ammonium salt
; Theoretical study
; Carbon dioxide
英文摘要: Utilization of CO2 (carbon dioxide) to synthesize useful organic compounds has attracted much attentions from the academia and industry. Recently, the fixation of CO2 catalyzed by using four hydroxyl-functionalized ionic liquids (ILs) has been successfully achieved. However, the detailed mechanism is still ambiguous. We performed a theoretical study on the mechanism of the fixation of CO2 catalyzed by 2-hydroxyl-ethyl-triethylammonium bromide (HETEAB) using the DFT method. The structural and energetic information for each possible route were obtained. Furthermore, the similarities and differences of two different catalysts, HETEAB and 2-hydroxyl-ethyl-tributylammonium bromide (HETBAB), were discussed in detail. In addition, the result shows that the OH functional group is one essential factor to improve the catalyst ability. Except that, including active H atom in the IL is the other major factor to refine the catalytic performance. © 2015 Elsevier Ltd. All rights reserved. Citation statistics:
资源类型: 期刊论文
标识符: http://119.78.100.158/handle/2HF3EXSE/52971
Appears in Collections: 影响、适应和脆弱性
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Recommended Citation:
Wang L.,Li P.,Jin X.,et al. Mechanism of fixation of CO2 in the presence of hydroxyl-functionalized quaternary ammonium salts[J]. Journal of CO2 Utilization,2015-01-01,10