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Unique Spatial Heterogeneity in Ionic Liquids
Abstract
A multiscale coarse-graining model for ionic liquids has been extended to investigate the unique aggregation of cations in ionic liquids through computer simulation. It has been found that, with sufficiently long side chains, the tail groups of cations aggregate to form spatially heterogeneous domains, while headgroups of the cations and the anions distribute as uniformly as possible. This is understood as the result of competition between the charged electrostatic interactions between headgroups and anions and the collective short-range interactions between the neutral tail groups. This aggregation can help to explain a number of experimentally observed physical phenomena in ionic liquids.
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Cited by
Deep eutectic solvents: A review of fundamentals and applications
Hansen, B. B., Spittle, S., Chen, B., Poe, D., Zhang, Y., Klein, J. M., Horton, A., Adhikari, L., Zelovich, T., Doherty, B. W., et al. (2021) · Chemical Reviews · doi:10.1021/acs.chemrev.0c00385 · Cited by 3,422
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
Zhang, S., Zhang, J., Zhang, Y., & Deng, Y. (2017) · Chemical Reviews · doi:10.1021/acs.chemrev.6b00509 · Cited by 659
The Electrostatic Screening Length in Concentrated Electrolytes Increases with Concentration
Smith, A. M., Lee, A. A., & Perkin, S. (2016) · The Journal of Physical Chemistry Letters · doi:10.1021/acs.jpclett.6b00867 · Cited by 611
Extraction of organic compounds with room temperature ionic liquids
Poole, C. F., & Poole, S. K. (2010) · Journal of Chromatography A · doi:10.1016/j.chroma.2009.09.011 · Cited by 493
Metadata
- Authors
- Wang, Y., & Voth, G. A.
- Venue
- Journal of the American Chemical Society
- Publisher
- American Chemical Society (ACS)
- Published
- 2005-08-16
- Volume
- 127
- Issue
- 35
- Pages
- 12192-12193
- ISSN
- 0002-7863 (ISSN-L)
- 1520-5126
- OpenAlex
- W2013478319
- Cited by
- 970
- References
- 0
- FWCI
- 13.84
- Type
- journal article
- Language
- en
- Open access
- closed
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