Investigation of water desalination/purification with molecular dynamics and machine learning techniques

Investigation of water desalination/purification with molecular dynamics and machine learning techniques

This paper incorporates a number of parameters, such as nanopore size, wall wettability, and electric field strength, to assess their effect on ion removal from nanochannels filled with water. Molecular dynamics simulations are incorporated to monitor the process and a numerical database is created...

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Bibliographic Details
Main Authors: Christos Stavrogiannis, Filippos Sofos, Theodoros. E. Karakasidis, Denis Vavougios
Format: Article
Language:English
Published: AIMS Press 2022-11-01
Series:AIMS Materials Science
Subjects:
ion separation
desalination
electric field
diffusion coefficient
potential energy
machine learning
Online Access:https://www.aimspress.com/article/doi/10.3934/matersci.2022054?viewType=HTML

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https://www.aimspress.com/article/doi/10.3934/matersci.2022054?viewType=HTML

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