Bulk ionic screening lengths from extremely large-scale molecular dynamics simulations

Recent experiments have reported anomalously large screening lengths of interactions between charged surfaces confining concentrated electrolytes and ionic liquids. Termed underscreening, this effect was ascribed to bulk properties of dense ionic systems. Herein, we study bulk ionic screening with e...

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Bibliographic Details
Published in:Chemical communications (Cambridge, England) England), 2020-12, Vol.56 (1), p.15635-15638
Main Authors: Zeman, Johannes, Kondrat, Svyatoslav, Holm, Christian
Format: Article
Language:English
Subjects:
Bulk density
Electrolytes
Experiments
Ionic liquids
Molecular dynamics
Screening
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Summary:Recent experiments have reported anomalously large screening lengths of interactions between charged surfaces confining concentrated electrolytes and ionic liquids. Termed underscreening, this effect was ascribed to bulk properties of dense ionic systems. Herein, we study bulk ionic screening with extremely large-scale molecular dynamics simulations, allowing us to assess the range of distances relevant to the experiments. Our results yield two screening lengths satisfying distinct scaling relations. However, with an accuracy of 10 −5 k B T in interionic potentials of mean force, we find no signs of underscreening, suggesting that other than bulk effects might be at play in the experiments. Large-scale molecular simulations reveal two screening lengths satisfying distinct scaling relations but with unprecedented accuracy no underscreening is detected for concentrated ionic bulk systems.
ISSN:1359-7345
1364-548X
DOI:10.1039/d0cc05023g