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Unique Spatial Heterogeneity in Ionic Liquids

Wang, Yanting, Voth, Gregory A.·2005·Journal of the American Chemical Society

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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Metadata

Authors
Wang, Y., & Voth, G. A.
Venue
Journal of the American Chemical Society
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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CoChat. (2026). Citation check: Unique Spatial Heterogeneity in Ionic Liquids. https://app.cochat.ai/papers/10.1021/ja053796g
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Wang, Y., & Voth, G. A. (2005). Unique Spatial Heterogeneity in Ionic Liquids. Journal of the American Chemical Society. https://doi.org/10.1021/ja053796g

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Semantic Scholar’s data is described in: Kinney, R., et al. (2023). The Semantic Scholar Open Data Platform. arXiv:2301.10140.