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Impact of hierarchical water dipole orderings on the dynamics of aqueous salt solutions

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  • Rui Shi

    (Zhejiang University
    The University of Tokyo)

  • Anthony J. Cooper

    (The University of Tokyo
    University of California)

  • Hajime Tanaka

    (The University of Tokyo
    The University of Tokyo)

Abstract

Ions exhibit highly ion-specific complex behaviours when solvated in water, which remains a mystery despite the fundamental importance of ion solvation in nature, science, and technology. Here we explain these ion-specific properties by the ion-induced hierarchical dipolar, translational, and bond-orientational orderings of ion hydration shell under the competition between ion-water electrostatic interactions and inter-water hydrogen bonding. We first characterise this competition by a new length λHB(q), explaining the ion-specific effects on solution dynamics. Then, by continuously tuning ion size and charge, we find that the bond-orientational order of the ion hydration shell highly develops for specific ion size and charge combinations. This ordering drastically stabilises the hydration shell; its degree changes the water residence time around ions by 11 orders of magnitude for main-group ions. These findings are fundamental to ionic processes in aqueous solutions, providing a physical principle for electrolyte design and application.

Suggested Citation

  • Rui Shi & Anthony J. Cooper & Hajime Tanaka, 2023. "Impact of hierarchical water dipole orderings on the dynamics of aqueous salt solutions," Nature Communications, Nature, vol. 14(1), pages 1-10, December.
    • Handle: RePEc:nat:natcom:v:14:y:2023:i:1:d:10.1038_s41467-023-40278-x
    DOI: 10.1038/s41467-023-40278-x
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