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The Structure of Aqueous Solutions of a Hydrophilic Ionic Liquid: The Full Concentration Range of 1-Ethyl-3-methylimidazolium Ethylsulfate and Water
Abstract
Several structural features of aqueous solutions of the ionic liquid 1-ethyl-3-methylimidazolium ethylsulfate were analyzed in the entire concentration range using molecular dynamics simulation results. Different analysis tools developed in-house were applied to describe the size and connectivity of different water and ion aggregates as a function of the solution concentration. Four concentration ranges-x(H(2)O)<0.5, 0.5 0.95-with four distinct structural regimes--isolated water molecules, chain-like water aggregates, bicontinuous system, and isolated ions or small ion clusters--were identified and discussed, including two different percolation limits: that of water in the ionic liquid network (around x(H(2)O)=0.8) and that of the ionic liquid in water (around x(H(2)O)=0.95).
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Citations
Cites
Ionic liquids: solvent properties and organic reactivity
Chiappe, C., & Pieraccini, D. (2005) · Journal of Physical Organic Chemistry · doi:10.1002/poc.863 · Cited by 1,169
Cited by
Structure and Nanostructure in Ionic Liquids
Hayes, R., Warr, G. G., & Atkin, R. (2015) · Chemical Reviews · doi:10.1021/cr500411q · Cited by 2,293
Biological Activity of Ionic Liquids and Their Application in Pharmaceutics and Medicine
Egorova, K. S., Gordeev, E. G., & Ananikov, V. P. (2017) · Chemical Reviews · doi:10.1021/acs.chemrev.6b00562 · Cited by 1,649
Multiscale Studies on Ionic Liquids
Dong, K., Liu, X., Dong, H., Zhang, X., & Zhang, S. (2017) · Chemical Reviews · doi:10.1021/acs.chemrev.6b00776 · Cited by 773
The peculiar effect of water on ionic liquids and deep eutectic solvents
Ma, C., Laaksonen, A., Liu, C., Lu, X., & Ji, X. (2018) · Chemical Society Reviews · doi:10.1039/c8cs00325d · Cited by 584
Microstructural and Dynamical Heterogeneities in Ionic Liquids
Wang, Y.-L., Li, B., Sarman, S., Mocci, F., Lu, Z.-Y., Yuan, J., Laaksonen, A., & Fayer, M. D. (2020) · Chemical Reviews · doi:10.1021/acs.chemrev.9b00693 · Cited by 465
Metadata
- Authors
- Bernardes, C. E. S., Minas da Piedade, M. E., & Canongia Lopes, J. N.
- Venue
- The Journal of Physical Chemistry B
- Publisher
- American Chemical Society (ACS)
- Published
- 2011-02-15
- Volume
- 115
- Issue
- 9
- Pages
- 2067-2074
- ISSN
- 1520-5207 (ISSN-L)
- 1520-6106
- OpenAlex
- W2333685738
- Cited by
- 161
- References
- 1
- FWCI
- 5.92
- Type
- journal article
- Language
- en
- Open access
- closed
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- Bernardes, C. E. S., Minas da Piedade, M. E., & Canongia Lopes, J. N. (2011). The Structure of Aqueous Solutions of a Hydrophilic Ionic Liquid: The Full Concentration Range of 1-Ethyl-3-methylimidazolium Ethylsulfate and Water. The Journal of Physical Chemistry B. https://doi.org/10.1021/jp1113202
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