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

Although important for atmospheric processes and gas-phase catalysis, very little is known about the hydration state of ions in the vapor phase. Here we study the evaporation energetics and kinetics of a chloride ion from liquid water by molecular dynamics simulations. As chloride permeates the inte...

Descripción completa

Detalles Bibliográficos
Autores principales: Loche, Philip, Bonthuis, Douwe J., Netz, Roland R.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2022
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9814746/
https://www.ncbi.nlm.nih.gov/pubmed/36698011
http://dx.doi.org/10.1038/s42004-022-00669-5

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9814746/
https://www.ncbi.nlm.nih.gov/pubmed/36698011
http://dx.doi.org/10.1038/s42004-022-00669-5

Ejemplares similares