Knowledge Management System Of Institute of process engineering,CAS
| 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 Publication | INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
 |
| ISSN | 0888-5885 |
| Volume | 58Issue:42Pages:19661-19669 |
| Abstract | Ionic 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. |
| DOI | 10.1021/acs.iecr.9b03369 |
| Language | 英语 |
| WOS Keyword | PARTICLE MESH EWALD ; MOLECULAR-DYNAMICS ; PHYSICOCHEMICAL PROPERTIES ; THERMOPHYSICAL PROPERTIES ; FORCE-FIELD ; 1-ETHYL-3-METHYLIMIDAZOLIUM ACETATE ; SHEAR VISCOSITY ; BINARY-MIXTURES ; CARBON-DIOXIDE ; TEMPERATURE |
| Funding Project | National 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 Area | Engineering |
| WOS Subject | Engineering, Chemical |
| Funding Organization | National 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 ID | WOS:000500349200032 |
| Publisher | AMER CHEMICAL SOC |
| Citation statistics | |
| Document Type | 期刊论文 |
| Identifier | http://ir.ipe.ac.cn/handle/122111/38286 |
| Collection | 中国科学院过程工程研究所 |
| Corresponding Author | Liu, Xiaomin; Zhang, Suojiang |
| Affiliation | 1.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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