The confined [Bmim][BF4] ionic liquid flow through graphene oxide nanochannels: a molecular dynamics study
文献类型：期刊论文
| 作者 | Wang, YL; Huo, F; He, HY; Zhang, SJ; Wang, Yanlei; Huo, Feng; He, Hongyan; Zhang, Suojiang |
| 刊名 | PHYSICAL CHEMISTRY CHEMICAL PHYSICS
 |
| 出版日期 | 2018 |
| 卷号 | 20期号:26页码:17773 |
| 关键词 | ATOM FORCE-FIELD BOUNDARY-CONDITIONS GAS SEPARATION SUPERCAPACITORS MEMBRANES WATER SELECTIVITY DIFFUSION TRANSPORT NANOPORES |
| ISSN号 | 1463-9076 |
| DOI | 10.1039/c8cp02408a |
| 文献子类 | Article |
| 英文摘要 | Ionic liquid (IL) flow in graphene oxide (GO) nanochannels plays a key role in the performance of IL- and GO-based fluidics devices and other chemical separator techniques. Here, we investigate the flow behavior of ILs in GO nanochannels via molecular dynamics simulations. The quantitative relation between slip velocity and shear stress has been identified, showing that the interfacial friction coefficient can be enhanced by almost sixty times, while the slip length is reduced by about three orders of magnitude, with the fraction of hydroxylation in graphene ranging from 0% to 15%. The great change in interfacial properties can be attributed to the structural changes of IL layers near GO, which is proved by the detailed analysis of density distribution, charge distribution and radial distribution function. Besides, the viscosity will increase as a fraction of hydroxylation because of the partial breaking of coulombic ordering of confined ILs. Meanwhile, the hydroxyls have more significant effects on IL flow than water flow in GO nanochannels due to the stronger interaction networks in IL/GO interfaces. In summary, hydroxylation can be a convincing method to regulate the IL flow in nanochannels. The quantitative properties of confined ILs in GO nanochannels and their relation to the fraction of hydroxylation could deepen the understanding of ILs and benefit the applications of ILs and GO in the fields of chemical engineering and various other nanofluidic devices. |
| WOS记录号 | WOS:000437473300023 |
| 源URL | [http://ir.ipe.ac.cn/handle/122111/26794]  |
| 专题 | 中国科学院过程工程研究所 |
| 推荐引用方式 GB/T 7714 | Wang, YL,Huo, F,He, HY,et al. The confined [Bmim][BF4] ionic liquid flow through graphene oxide nanochannels: a molecular dynamics study[J]. PHYSICAL CHEMISTRY CHEMICAL PHYSICS,2018,20(26):17773, 17780. |
| APA | Wang, YL.,Huo, F.,He, HY.,Zhang, SJ.,Wang, Yanlei.,...&Zhang, Suojiang.(2018).The confined [Bmim][BF4] ionic liquid flow through graphene oxide nanochannels: a molecular dynamics study.PHYSICAL CHEMISTRY CHEMICAL PHYSICS,20(26),17773. |
| MLA | Wang, YL,et al."The confined [Bmim][BF4] ionic liquid flow through graphene oxide nanochannels: a molecular dynamics study".PHYSICAL CHEMISTRY CHEMICAL PHYSICS 20.26(2018):17773. |
入库方式： OAI收割
来源：过程工程研究所
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