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SO2-Induced Variations in the Viscosity of Ionic Liquids Investigated by in Situ Fourier Transform Infrared Spectroscopy and Simulation Calculations
Zeng, Shaojuan1,2,3; Zhang, Xiaochun1,2; Gao, Hongshuai1,2; He, Hongyan1,2; Zhang, Xiangping1,2; Zhang, Suojiang1,2
2015-11-04
Source PublicationINDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
ISSN0888-5885
Volume54Issue:43Pages:10854-10862
AbstractIn this work, the effect of SO2 on the densities and viscosities during absorption processes of pyridinium-based ionic liquids (ILs), such as the conventional ILs [C4Py][BF4] and [C4Py] [SCN] and the tertiary amino-functionalized IL [NEt2C2Py] [SCN], was investigated. The mechanism of the variations in these two physical properties was also explained in detail through a combination of experimental methods and simulation calculations. The results indicated that the densities of the conventional and functionalized ILs increased gradually with increasing amounts of SO2. However, the viscosities of two kinds of ILs during SO2 absorption showed different variation trends according to different mechanisms of SO2 absorption, i.e., physical absorption and chemical absorption, which was proven by the in situ Fourier transform infrared results. The viscosity changes of the functionalized IL [NEt2C2Py][SCN] during SO2 absorption experienced two stages. First, the viscosity increased sharply because of chemical interaction, forming a charge-transfer complex, and then decreased drastically because of the physical interaction between the anion and SO2. However, there was a monotonous and sharp decline in the viscosity of the conventional ILs with an increase of the SO2 capacity, which showed the same trend as that of [NEt2C2Py] [SCN] in the SO2 physical absorption stage. Furthermore, the ionic interaction and microstructures of the conventional ILs before and after SO2 absorption were further studied by molecular dynamics simulation and quantum-chemical calculation. It was demonstrated that viscosity reduction may mainly originate from a decrease of the electrostatic interaction between the cation and anion of the ILs because of the presence of SO2.
SubtypeArticle
WOS HeadingsScience & Technology ; Technology
DOI10.1021/acs.iecr.5b01807
Indexed BySCI
Language英语
WOS KeywordCO2 CAPTURE ; SO2 CAPTURE ; TRANSPORT-PROPERTIES ; MOLECULAR-DYNAMICS ; REVERSIBLE CAPTURE ; HIGHLY EFFICIENT ; FORCE-FIELD ; ABSORPTION ; IMIDAZOLIUM ; PYRIDINIUM
WOS Research AreaEngineering
WOS SubjectEngineering, Chemical
Funding OrganizationBeijing Municipal Natural Science Foundation(2141003 ; National Natural Science Fund for Distinguished Young Scholars(21425625) ; National Natural Science Foundation of China(21436010 ; National High Technology Research and Development Program of China(2013AA06540201) ; 2142029) ; 21506219)
WOS IDWOS:000364356200032
Citation statistics
Cited Times:25[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.ipe.ac.cn/handle/122111/19832
Collection多相复杂系统国家重点实验室
Affiliation1.Chinese Acad Sci, Inst Proc Engn, Beijing Key Lab Ion Liquids Clean Proc, Key Lab Green Proc & Engn, Beijing 100190, Peoples R China
2.Chinese Acad Sci, Inst Proc Engn, State Key Lab Multiphase Complex Syst, Beijing 100190, Peoples R China
3.Univ Chinese Acad Sci, Sch Chem & Chem Engn, Beijing 100049, Peoples R China
Recommended Citation
GB/T 7714
Zeng, Shaojuan,Zhang, Xiaochun,Gao, Hongshuai,et al. SO2-Induced Variations in the Viscosity of Ionic Liquids Investigated by in Situ Fourier Transform Infrared Spectroscopy and Simulation Calculations[J]. INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH,2015,54(43):10854-10862.
APA Zeng, Shaojuan,Zhang, Xiaochun,Gao, Hongshuai,He, Hongyan,Zhang, Xiangping,&Zhang, Suojiang.(2015).SO2-Induced Variations in the Viscosity of Ionic Liquids Investigated by in Situ Fourier Transform Infrared Spectroscopy and Simulation Calculations.INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH,54(43),10854-10862.
MLA Zeng, Shaojuan,et al."SO2-Induced Variations in the Viscosity of Ionic Liquids Investigated by in Situ Fourier Transform Infrared Spectroscopy and Simulation Calculations".INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH 54.43(2015):10854-10862.
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