2023
DOI: 10.1063/5.0178123
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Structural and dynamical properties of concentrated alkali- and alkaline-earth metal chloride aqueous solutions

Jianzhuo Zhu,
Zhuodan Zhao,
Xingyuan Li
et al.

Abstract: Concentrated ionic aqueous electrolytes possess a diverse array of applications across various fields, particularly in the field of energy storage. Despite extensive examination, the intricate relationships and numerous physical mechanisms underpinning diverse phenomena remain incompletely understood. Molecular dynamics simulations are employed to probe the attributes of aqueous solutions containing LiCl, NaCl, KCl, MgCl2, and CaCl2, spanning various solute fractions. The primary emphasis of the simulations is… Show more

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