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Issue 100, 2020
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Bulk ionic screening lengths from extremely large-scale molecular dynamics simulations

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Abstract

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 10−5kBT 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.

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

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Supplementary files

Article information


Submitted
22 Jul 2020
Accepted
06 Nov 2020
First published
07 Dec 2020

This article is Open Access

Chem. Commun., 2020,56, 15635-15638
Article type
Communication

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

J. Zeman, S. Kondrat and C. Holm, Chem. Commun., 2020, 56, 15635
DOI: 10.1039/D0CC05023G

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