Mechanistic Understanding of CO2 Adsorption and Diffusion in the Imidazole Ionic Liquid-Hexafluoroisopropylidene Polyimide Composite Membrane

doi:10.1021/acs.iecr.1c00567

	Mechanistic Understanding of CO2 Adsorption and Diffusion in the Imidazole Ionic Liquid-Hexafluoroisopropylidene Polyimide Composite Membrane
	Cheng, Ye 1,2; Guo, Yandong 1; He, Hongyan 2; Ding, Weilu 2; Diao, Yanyan 2; Huo, Feng 2
刊名	INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
	2021-04-28
卷号	60 期号:16 页码:6027-6037
ISSN号	0888-5885
DOI	10.1021/acs.iecr.1c00567
英文摘要	The integration of molecular design and imidazole ionic liquids produces a synergistic effect to enhance and fine-tune the molecular sieve capability of polyimide (PI) membranes. The most difficult problem was to choose the right ionic liquids and moderate polymer combination. In this work, a series of systems of CO2 in [EMIM][Tf2N], [EMIM][BF4], and [EMIM][PF6] composited with 6FDA-based PI with different IL concentrations were discussed by all-atom molecular dynamics simulations. The results indicated that the CO2 diffusion coefficient decreases with the compatibility of the PI structure with CO2 molecules and increases with an increased IL concentration of up to 75 wt %. Therefore, this study may provide guidance for the design of PI membranes.
资助项目	General Program of the National Natural Science Foundation of China[21878295] ; General Program of the National Natural Science Foundation of China[22078024] ; General Program of the National Natural Science Foundation of China[21676280] ; Beijing Natural Science Foundation[2192052] ; Liaoning Provincial Department of Education[LQ2020001]
WOS关键词	MOLECULAR-DYNAMICS SIMULATIONS ; MIXED MATRIX MEMBRANES ; POLYMERIC MEMBRANES ; CO2-INDUCED PLASTICIZATION ; TRANSPORT-PROPERTIES ; CARBON CAPTURE ; SEPARATION
WOS研究方向	Engineering
语种	英语
出版者	AMER CHEMICAL SOC
WOS记录号	WOS:000645515800027
资助机构	General Program of the National Natural Science Foundation of China ; Beijing Natural Science Foundation ; Liaoning Provincial Department of Education
内容类型	期刊论文
源URL	[http://ir.ipe.ac.cn/handle/122111/48735]
专题	中国科学院过程工程研究所
通讯作者	Guo, Yandong; Huo, Feng
作者单位	1.Bohai Univ, Coll Math Sci, Jinzhou 121013, Peoples R China 2.Chinese Acad Sci, Beijing Key Lab Ion Liquids Clean Proc, Inst Proc Engn, CAS Key Lab Green Proc & Engn,State Key Lab Multi, Beijing 100190, Peoples R China
推荐引用方式 GB/T 7714	Cheng, Ye,Guo, Yandong,He, Hongyan,et al. Mechanistic Understanding of CO2 Adsorption and Diffusion in the Imidazole Ionic Liquid-Hexafluoroisopropylidene Polyimide Composite Membrane[J]. INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH,2021,60(16):6027-6037.
APA	Cheng, Ye,Guo, Yandong,He, Hongyan,Ding, Weilu,Diao, Yanyan,&Huo, Feng.(2021).Mechanistic Understanding of CO2 Adsorption and Diffusion in the Imidazole Ionic Liquid-Hexafluoroisopropylidene Polyimide Composite Membrane.INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH,60(16),6027-6037.
MLA	Cheng, Ye,et al."Mechanistic Understanding of CO2 Adsorption and Diffusion in the Imidazole Ionic Liquid-Hexafluoroisopropylidene Polyimide Composite Membrane".INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH 60.16(2021):6027-6037.