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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
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author Zhu, Haochen
Yang, Fengrui
Zhu, Yunjie
Li, Aihua
He, Wenzhi
Huang, Juwen
Li, Guangming
author_facet Zhu, Haochen
Yang, Fengrui
Zhu, Yunjie
Li, Aihua
He, Wenzhi
Huang, Juwen
Li, Guangming
author_sort Zhu, Haochen
collection PubMed
description 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.
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spelling pubmed-90500142022-04-29 Investigation of dielectric constants of water in a nano-confined pore Zhu, Haochen Yang, Fengrui Zhu, Yunjie Li, Aihua He, Wenzhi Huang, Juwen Li, Guangming RSC Adv Chemistry 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. The Royal Society of Chemistry 2020-02-27 /pmc/articles/PMC9050014/ /pubmed/35496528 http://dx.doi.org/10.1039/c9ra09399k Text en This journal is © The Royal Society of Chemistry https://creativecommons.org/licenses/by-nc/3.0/
spellingShingle Chemistry
Zhu, Haochen
Yang, Fengrui
Zhu, Yunjie
Li, Aihua
He, Wenzhi
Huang, Juwen
Li, Guangming
Investigation of dielectric constants of water in a nano-confined pore
title Investigation of dielectric constants of water in a nano-confined pore
title_full Investigation of dielectric constants of water in a nano-confined pore
title_fullStr Investigation of dielectric constants of water in a nano-confined pore
title_full_unstemmed Investigation of dielectric constants of water in a nano-confined pore
title_short Investigation of dielectric constants of water in a nano-confined pore
title_sort investigation of dielectric constants of water in a nano-confined pore
topic Chemistry
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9050014/
https://www.ncbi.nlm.nih.gov/pubmed/35496528
http://dx.doi.org/10.1039/c9ra09399k
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