Design of Highly Water-Permeable Nanoporous Membrane by Arrangement of Regular Atomic Charges on the Pore-Wall: A Non-Equilibrium Molecular Dynamics Study

Design of Highly Water-Permeable Nanoporous Membrane by Arrangement of Regular Atomic Charges on the Pore-Wall: A Non-Equilibrium Molecular Dynamics Study

Non-equilibrium molecular dynamics (NEMD) simulations were employed to investigate the effect of charged pore-wall of carbon nanotubes (CNTs), which is the model of microporous membranes. The study found that the charged atoms on the CNT pore-wall significantly affect how water molecules orient them...

书目详细资料
Main Authors:	Hayato Higuchi, Daiki Goto, Hiromitsu Takaba
格式:	文件
语言:	English
出版:	Taylor & Francis Group 2024-12-01
丛编:	Journal of Chemical Engineering of Japan
主题:	Reverse osmosis Non-equilibrium molecular dynamics Desalination Carbon nanotube
在线阅读:	https://www.tandfonline.com/doi/10.1080/00219592.2024.2323728

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