Cluster-size distribution of ions in concentrated aqueous NaCl solutions: Molecular dynamics simulations

K Komori and T Terao, CHEMICAL PHYSICS LETTERS, 825, 140627 (2023).

DOI: 10.1016/j.cplett.2023.140627

Recently, the properties of screening phenomena in concentrated electrolytes have attracted considerable attention. Molecular dynamics (MD) simulations were performed on an aqueous NaCl solution, and the clustersize distribution of cations and anions was clarified. The cluster-size distribution exhibited approximately powerlaw decay behavior with a sufficiently high concentration. In addition, the fraction of isolated ions without pairing or clustering was also investigated. In concentrated electrolytes, the number of isolated ions does not significantly depend on the electrolyte concentration. This study clarifies the statistical physics of the cations and anions in concentrated electrolytes.

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