CAS OpenIR  > 中科院上海应用物理研究所2011-2019年
Dilute or Concentrated Electrolyte Solutions? Insight from Ionic Liquid/Water Electrolytes
Sha, ML; Dong, HZ; Luo, FB; Tang, ZF; Zhu, GL; Wu, GZ; Sha, ML (reprint author), Hefei Normal Univ, Dept Chem & Chem Engn, Hefei 230061, Peoples R China.
2015
Source PublicationJOURNAL OF PHYSICAL CHEMISTRY LETTERS
ISSN1948-7185
Volume6Issue:18Pages:3713—3720
Subtype期刊文献
AbstractWhen 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.
KeywordMolecular-dynamics Physicochemical Properties Liquids Water Simulation Mixtures Association Conductivities Acetonitrile Efficient
Indexed BySCI
Language英语
WOS IDWOS:000361858800032
Citation statistics
Cited Times:29[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.sinap.ac.cn/handle/331007/24902
Collection中科院上海应用物理研究所2011-2019年
Corresponding AuthorSha, ML (reprint author), Hefei Normal Univ, Dept Chem & Chem Engn, Hefei 230061, Peoples R China.
Recommended Citation
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.,...&Sha, ML .(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.
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