Molecular dynamics simulations of the evaporation of hydrated ions from aqueous solution

Halide ions are present in the Earth’s atmosphere, but for the important case of fully or partially saturated water vapor it is not clear whether these ions are hydrated, i.e. surrounded by an adsorbed water layer, or not. Here, the authors combine four different equilibrium and non-equilibrium mole...

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Bibliographic Details
Main Authors: Philip Loche, Douwe J. Bonthuis, Roland R. Netz
Format: Article
Language:English
Published: Nature Portfolio 2022-04-01
Series:Communications Chemistry
Online Access:https://doi.org/10.1038/s42004-022-00669-5