Journal article
Nonequilibrium molecular dynamics simulation of pressure-driven water transport through modified CNT membranes
Abstract
Nonequilibrium molecular dynamics (NEMD) simulations are presented to investigate the effect of water-membrane interactions on the transport properties of pressure-driven water flow passing through carbon nanotube (CNT) membranes. The CNT membrane is modified with different physical properties to alter the van der Waals interactions or the electrostatic interactions between water molecules and the CNT membranes. The unmodified and modified CNT …
Authors
Wang L; Dumont RS; Dickson JM
Journal
The Journal of Chemical Physics, Vol. 138, No. 12,
Publisher
AIP Publishing
Publication Date
March 28, 2013
DOI
10.1063/1.4794685
ISSN
0021-9606