Journal article
Nonequilibrium molecular dynamics simulation of water transport through carbon nanotube membranes at low pressurea)
Abstract
Nonequilibrium molecular dynamics (NEMD) simulations are used to investigate pressure-driven water flow passing through carbon nanotube (CNT) membranes at low pressures (5.0 MPa) typical of real nanofiltration (NF) systems. The CNT membrane is modeled as a simplified NF membrane with smooth surfaces, and uniform straight pores of typical NF pore sizes. A NEMD simulation system is constructed to study the effects of the membrane structure (pores …
Authors
Wang L; Dumont RS; Dickson JM
Journal
The Journal of Chemical Physics, Vol. 137, No. 4,
Publisher
AIP Publishing
Publication Date
July 28, 2012
DOI
10.1063/1.4734484
ISSN
0021-9606