CAS OpenIR
Separation Efficiency of CO2 in Ionic Liquids/Poly(vinylidene fluoride) Composite Membrane: A Molecular Dynamics Study
Song, Tao2; Zhang, Xiaochun2; Li, Yonggang4; Jiang, Kun2,3; Zhang, Suojiang2; Cui, Xiangmei; Bai, Lu2
2019-04-24
Source PublicationINDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
ISSN0888-5885
Volume58Issue:16Pages:6887-6898
AbstractIonic liquids (ILs)/polymer composite membranes show great potential for CO2 separation. The main challenge is to select the appropriate combination of ILs and polymer in a limited time and cost. In this work, the microstructure, interactions and dynamic properties of a series of systems of 1-butyl-3-methylimidazolium hexafluorophosphate abmim][PF6]), 1-butyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide ([bmim]-[Tf2N]) and 1-butyl-3-methylimidazolium tetracyanoborate abmim][B(CN)(4)] composited with poly(vinylidene fluoride) (PVDF) with increasing ionic liquids (ILs) content were studied by molecular dynamics simulations for understanding the composite membrane at the molecular level. The radial distribution functions show that ILs aggregation is formed in the PVDF matrix, and the aggregation region continuously expands and finally becomes ionic channels with increased ILs content to 50 wt %. The weakest cations-anions interaction of [bmim][B(CN)(4)] and the strongest interaction of PVDF-[B(CN)(4)] as well as the weakest aggregation of [bmim][B(CN)(4)] are favorable for forming the continuous ionic channels in PVDF matrix for CO, diffusion. The increased self-diffusion coefficients of PVDF after the addition of ILs, which originates from the strong interaction of ILs-PVDF and the broken hydrogen bond network among PVDF chains, facilitate the transportation of CO, among PVDF chains. Moreover, the free energy of solvation, Henry's law constant and self-diffusion coefficients for CO, in three ILs/PVDF systems suggest that [bmim][B(CN)(4)]/PVDF composite membrane possesses better CO2 separation performance.
DOI10.1021/acs.iecr.8b06100
Language英语
WOS KeywordGAS-TRANSPORT PROPERTIES ; LIQUID BASED MEMBRANES ; PARTICLE MESH EWALD ; CARBON-DIOXIDE ; GEL MEMBRANES ; FORCE-FIELD ; SIMULATION ; POLYMER ; HYDROGEN ; WATER
Funding ProjectNational Natural Science Foundation of China[51674234] ; National Natural Science Foundation of China[U1704251] ; National Natural Science Foundation of China[21606233] ; "Transformational Technologies for Clean Energy and Demonstration", Strategic Priority Research Program of the Chinese Academy of Sciences[XDA 21030500]
WOS Research AreaEngineering
WOS SubjectEngineering, Chemical
Funding OrganizationNational Natural Science Foundation of China ; "Transformational Technologies for Clean Energy and Demonstration", Strategic Priority Research Program of the Chinese Academy of Sciences
WOS IDWOS:000466053500069
PublisherAMER CHEMICAL SOC
Citation statistics
Cited Times:2[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.ipe.ac.cn/handle/122111/28229
Collection中国科学院过程工程研究所
Corresponding AuthorZhang, Xiaochun; Zhang, Suojiang; Cui, Xiangmei
Affiliation1.Qinghai Univ, Coll Chem Engn, Xining 810016, Qinghai, Peoples R China
2.Chinese Acad Sci, State Key Lab Multiphase Complex Syst, Inst Proc Engn, Beijing Key Lab Ion Liquids Clean Proc,CAS Key La, Beijing 100190, Peoples R China
3.Univ Chinese Acad Sci, Coll Chem & Engn, Beijing 100049, Peoples R China
4.Baise Univ, Coll Chem & Environm Engn, Baise 533000, Peoples R China
Recommended Citation
GB/T 7714
Song, Tao,Zhang, Xiaochun,Li, Yonggang,et al. Separation Efficiency of CO2 in Ionic Liquids/Poly(vinylidene fluoride) Composite Membrane: A Molecular Dynamics Study[J]. INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH,2019,58(16):6887-6898.
APA Song, Tao.,Zhang, Xiaochun.,Li, Yonggang.,Jiang, Kun.,Zhang, Suojiang.,...&Bai, Lu.(2019).Separation Efficiency of CO2 in Ionic Liquids/Poly(vinylidene fluoride) Composite Membrane: A Molecular Dynamics Study.INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH,58(16),6887-6898.
MLA Song, Tao,et al."Separation Efficiency of CO2 in Ionic Liquids/Poly(vinylidene fluoride) Composite Membrane: A Molecular Dynamics Study".INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH 58.16(2019):6887-6898.
Files in This Item:
There are no files associated with this item.
Related Services
Recommend this item
Bookmark
Usage statistics
Export to Endnote
Google Scholar
Similar articles in Google Scholar
[Song, Tao]'s Articles
[Zhang, Xiaochun]'s Articles
[Li, Yonggang]'s Articles
Baidu academic
Similar articles in Baidu academic
[Song, Tao]'s Articles
[Zhang, Xiaochun]'s Articles
[Li, Yonggang]'s Articles
Bing Scholar
Similar articles in Bing Scholar
[Song, Tao]'s Articles
[Zhang, Xiaochun]'s Articles
[Li, Yonggang]'s Articles
Terms of Use
No data!
Social Bookmark/Share
All comments (0)
No comment.
 

Items in the repository are protected by copyright, with all rights reserved, unless otherwise indicated.