Dilute or Concentrated Electrolyte Solutions? Insight from Ionic Liquid/Water Electrolytes
文献类型：期刊论文
| 作者 | Sha, ML; Dong, HZ; Luo, FB; Tang, ZF; Zhu, GL; Wu, GZ |
| 刊名 | JOURNAL OF PHYSICAL CHEMISTRY LETTERS
 |
| 出版日期 | 2015 |
| 卷号 | 6期号:18页码:3713—3720 |
| 关键词 | MOLECULAR-DYNAMICS PHYSICOCHEMICAL PROPERTIES LIQUIDS WATER SIMULATION MIXTURES ASSOCIATION CONDUCTIVITIES ACETONITRILE EFFICIENT |
| ISSN号 | 1948-7185 |
| 通讯作者 | Sha, ML (reprint author), Hefei Normal Univ, Dept Chem & Chem Engn, Hefei 230061, Peoples R China. |
| 英文摘要 | When room-temperature ionic liquids (IL) are used as an electrolyte, their transport behaviors are still under heavy debate due to their complicated ion-associations. In this article, we conducted molecular dynamics simulations to study the molecular scale ion associations from the very dilute 1butyl-3-methylimidazolium iodide/water solution to the pure IL. It revealed that ions are localized in a multicoordinated ion cage structure with nanoseconds in concentrated IL solutions. Dynamics analyses indicate that the transport of this solution can be depicted by the Debye-Huckel model only in dilute IL/water electrolyte. The velocity and rotational correlation functions showed that the lifetime of translational and rotational motions are at the level of picoseconds and nanoseconds, respectively, because of the ion cage effect. The lifetime of ion association demonstrated that the recombination of association ions was prevalent in IL solutions. It means that the dipolar or stable contact ion-pairs model may not be suitable for depicting the IL transport. |
| 收录类别 | SCI |
| 语种 | 英语 |
| WOS记录号 | WOS:000361858800032 |
| 公开日期 | 2016-03-08 |
| 源URL | [http://ir.sinap.ac.cn/handle/331007/24902]  |
| 专题 | 上海应用物理研究所_中科院上海应用物理研究所2011-2017年 |
| 推荐引用方式 GB/T 7714 | Sha, ML,Dong, HZ,Luo, FB,et al. Dilute or Concentrated Electrolyte Solutions? Insight from Ionic Liquid/Water Electrolytes[J]. JOURNAL OF PHYSICAL CHEMISTRY LETTERS,2015,6(18):3713—3720. |
| APA | Sha, ML,Dong, HZ,Luo, FB,Tang, ZF,Zhu, GL,&Wu, GZ.(2015).Dilute or Concentrated Electrolyte Solutions? Insight from Ionic Liquid/Water Electrolytes.JOURNAL OF PHYSICAL CHEMISTRY LETTERS,6(18),3713—3720. |
| MLA | Sha, ML,et al."Dilute or Concentrated Electrolyte Solutions? Insight from Ionic Liquid/Water Electrolytes".JOURNAL OF PHYSICAL CHEMISTRY LETTERS 6.18(2015):3713—3720. |
入库方式： OAI收割
来源：上海应用物理研究所
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