Dielectric Properties of Aqueous Electrolyte Solutions Confined in Silica Nanopore: Molecular Simulation vs. Continuum-Based Models

Dielectric behavior of electrolyte aqueous solutions with various concentrations in a cylindrical nanopore of MCM 41 silica has been investigated. The effect of confinement is investigated by using isothermal-isosurface-isobaric statistical ensemble, which has proved to be an effective alternative t...

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Bibliographic Details

Published in:	Membranes
Main Authors:	Haochen Zhu, Bo Hu
Format:	Article
Language:	English
Published:	MDPI AG 2022-02-01
Subjects:	silica nanopore dielectric constant electrolyte aqueous solutions nanofiltration theory molecular dynamics simulation
Online Access:	https://www.mdpi.com/2077-0375/12/2/220