CAS OpenIR
Effects of the Water Content on the Transport Properties of Ionic Liquids
Guo, Shuai1,2; Chen, Fan1,4; Liu, Lei1; Li, Yao1; Liu, Xiaomin3; Jiang, Kun1; Liu, Ruixia1; Zhang, Suojiang1
2019-10-23
Source PublicationINDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
ISSN0888-5885
Volume58Issue:42Pages:19661-19669
AbstractIonic liquids (ILs) have been applied in many fields in recent years, but the high viscosity of ILs has become an important factor hindering the further implementation of ILs. ILs/water binary mixtures often show a lower viscosity than pure ILs. However, the general effects of the water content on the viscosity remain unclear. In this work, the viscosities and self-diffusivity of a series of [C(n)mim][Ac] (1-alkyl-3-methyl imidazole acetate) ILs were computed by molecular dynamics simulations with a water mass percentage of 0.02-10%. The results show a general rule that the viscosities of all [C(n)mim][Ac] ILs (n = 1-6) first increase and then decrease by adding a certain amount of water, which correlate well with the corresponding reciprocals of self-diffusion coefficients. Interestingly, the inflection points of the viscosity gradually move forward in the direction of a lower water content when increasing the chain length, which is the result of increased hydrophobicity. Structural analysis shows that the chainlike structure of anion center dot center dot center dot water center dot center dot center dot anion is the key reason for the increase-to-decrease behavior of viscosity when water is added. Moreover, the sharp peaks of radial distribution functions between water and Ac- go up first and then move down, and the peak positions follow the same trend of inflection points.
DOI10.1021/acs.iecr.9b03369
Language英语
WOS KeywordPARTICLE MESH EWALD ; MOLECULAR-DYNAMICS ; PHYSICOCHEMICAL PROPERTIES ; THERMOPHYSICAL PROPERTIES ; FORCE-FIELD ; 1-ETHYL-3-METHYLIMIDAZOLIUM ACETATE ; SHEAR VISCOSITY ; BINARY-MIXTURES ; CARBON-DIOXIDE ; TEMPERATURE
Funding ProjectNational Key Research and Development Program of China[2017YFA0206803] ; National Science Fund for Excellent Young Scholars[21722610] ; National Basic Research Program of China (973 Program)[2015CB251401] ; Major Program of National Natural Science Foundation of China[21890762] ; Key Research Program of Frontier Sciences CAS[QYZDY-SSW-JSC011]
WOS Research AreaEngineering
WOS SubjectEngineering, Chemical
Funding OrganizationNational Key Research and Development Program of China ; National Science Fund for Excellent Young Scholars ; National Basic Research Program of China (973 Program) ; Major Program of National Natural Science Foundation of China ; Key Research Program of Frontier Sciences CAS
WOS IDWOS:000500349200032
PublisherAMER CHEMICAL SOC
Citation statistics
Cited Times:1[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.ipe.ac.cn/handle/122111/38286
Collection中国科学院过程工程研究所
Corresponding AuthorLiu, Xiaomin; Zhang, Suojiang
Affiliation1.Chinese Acad Sci, CAS Key Lab Green Proc & Engn, Beijing Key Lab Ion Liquids Clean Proc, Inst Proc Engn,State Key Lab Multiphase Complex S, Beijing 100190, Peoples R China
2.Univ Chinese Acad Sci, Sch Future Technol, Beijing 100049, Peoples R China
3.Qingdao Univ, Sch Chem & Chem Engn, Qingdao 266071, Shandong, Peoples R China
4.Hebei Univ Sci & Technol, Sch Sci, Shijiazhuang 050018, Hebei, Peoples R China
Recommended Citation
GB/T 7714
Guo, Shuai,Chen, Fan,Liu, Lei,et al. Effects of the Water Content on the Transport Properties of Ionic Liquids[J]. INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH,2019,58(42):19661-19669.
APA Guo, Shuai.,Chen, Fan.,Liu, Lei.,Li, Yao.,Liu, Xiaomin.,...&Zhang, Suojiang.(2019).Effects of the Water Content on the Transport Properties of Ionic Liquids.INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH,58(42),19661-19669.
MLA Guo, Shuai,et al."Effects of the Water Content on the Transport Properties of Ionic Liquids".INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH 58.42(2019):19661-19669.
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