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Mechanistic Understanding of CO2 Adsorption and Diffusion in the Imidazole Ionic Liquid-Hexafluoroisopropylidene Polyimide Composite Membrane
Cheng, Ye1,2; Guo, Yandong1; He, Hongyan2; Ding, Weilu2; Diao, Yanyan2; Huo, Feng2
2021-04-28
Source PublicationINDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
ISSN0888-5885
Volume60Issue:16Pages:6027-6037
AbstractThe 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.
DOI10.1021/acs.iecr.1c00567
Language英语
WOS KeywordMOLECULAR-DYNAMICS SIMULATIONS ; MIXED MATRIX MEMBRANES ; POLYMERIC MEMBRANES ; CO2-INDUCED PLASTICIZATION ; TRANSPORT-PROPERTIES ; CARBON CAPTURE ; SEPARATION
Funding ProjectGeneral 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 Research AreaEngineering
WOS SubjectEngineering, Chemical
Funding OrganizationGeneral Program of the National Natural Science Foundation of China ; Beijing Natural Science Foundation ; Liaoning Provincial Department of Education
WOS IDWOS:000645515800027
PublisherAMER CHEMICAL SOC
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Document Type期刊论文
Identifierhttp://ir.ipe.ac.cn/handle/122111/48736
Collection中国科学院过程工程研究所
Corresponding AuthorGuo, Yandong; Huo, Feng
Affiliation1.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
Recommended Citation
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.
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