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Investigation of dielectric constants of water in a nano-confined pore

We report the dielectric properties of pure water confined in a silica hydrophilic nanopore determined from the computation of the density of liquid in the confined phase by the grand canonical Monte Carlo (GCMC) simulations. The silica cylindrical nanopore is divided into n concentric radial shells...

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Detalles Bibliográficos
Autores principales: Zhu, Haochen, Yang, Fengrui, Zhu, Yunjie, Li, Aihua, He, Wenzhi, Huang, Juwen, Li, Guangming
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2020
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9050014/
https://www.ncbi.nlm.nih.gov/pubmed/35496528
http://dx.doi.org/10.1039/c9ra09399k
Descripción
Sumario:We report the dielectric properties of pure water confined in a silica hydrophilic nanopore determined from the computation of the density of liquid in the confined phase by the grand canonical Monte Carlo (GCMC) simulations. The silica cylindrical nanopore is divided into n concentric radial shells to get a better insight into the dielectric properties of nanoconfined water. We find that the average values of the dielectric constants are very close and almost independent of the number of concentric radial shells. The decrease in the dielectric constant of confined pure water is due to the strong orientation of water dipoles in the vicinity of the surface while water dipoles do not exhibit any preferential orientation in bulk phase.