Zeman Johannes, Kondrat Svyatoslav, Holm Christian
Institute for Computational Physics, University of Stuttgart, D-70569 Stuttgart, Germany.
Chem Commun (Camb). 2020 Dec 21;56(100):15635-15638. doi: 10.1039/d0cc05023g. Epub 2020 Dec 7.
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 10kT 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.
最近的实验报道了在限制浓电解质和离子液体的带电表面之间相互作用时，出现了异常大的屏蔽长度。这种效应被称为欠屏蔽，归因于致密离子体系的体相性质。在此，我们用极大规模的分子动力学模拟研究体相离子屏蔽，这使我们能够评估与实验相关的距离范围。我们的结果得出了满足不同标度关系的两个屏蔽长度。然而，在平均力离子间势的精度达到10kT时，我们没有发现欠屏蔽的迹象，这表明在实验中可能起作用的不仅仅是体相效应。
