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Designing carbon nanotube membranes for efficient water desalination

Corry, Ben

Description

The transport of water and ions through membranes formed from carbon nanotubes ranging in diameter from 6 to 11 A is studied using molecular dynamics simulations under hydrostatic pressure and equilibrium conditions. Membranes incorporating carbon nanotubes are found to be promising candidates for water desalination using reverse osmosis, and the size and uniformity of tubes that is required to achieve a desired salt rejection is determined. By calculating the potential of mean force for ion...[Show more]

dc.contributor.authorCorry, Ben
dc.date.accessioned2015-12-13T22:53:42Z
dc.identifier.issn1520-6106
dc.identifier.urihttp://hdl.handle.net/1885/81929
dc.description.abstractThe transport of water and ions through membranes formed from carbon nanotubes ranging in diameter from 6 to 11 A is studied using molecular dynamics simulations under hydrostatic pressure and equilibrium conditions. Membranes incorporating carbon nanotubes are found to be promising candidates for water desalination using reverse osmosis, and the size and uniformity of tubes that is required to achieve a desired salt rejection is determined. By calculating the potential of mean force for ion and water translocation, we show that ions face a large energy barrier and will not pass through the narrower tubes studied ((5,5) and (6,6) "armchair" type tubes) but can pass through the wider (7,7) and (8,8) nanotubes. Water, however, faces no such impediment due to the formation of stable hydrogen bonds and crosses all of the tubes studied at very large rates. By measuring this conduction rate under a hydrostatic pressure difference, we show that membranes incorporating carbon nanotubes can, in principle, achieve a high degree of desalination at flow rates far in excess of existing membranes.
dc.publisherAmerican Chemical Society
dc.sourceJournal of Physical Chemistry B
dc.subjectKeywords: Computer simulation; Desalination; Hydrostatic pressure; Molecular dynamics; Osmosis; Conduction rate; Water desalination; Water translocation; Carbon nanotubes; nanotube; sodium chloride; water; algorithm; article; artificial membrane; chemistry; compute
dc.titleDesigning carbon nanotube membranes for efficient water desalination
dc.typeJournal article
local.description.notesImported from ARIES
local.identifier.citationvolume112
dc.date.issued2008
local.identifier.absfor060110 - Receptors and Membrane Biology
local.identifier.absfor029901 - Biological Physics
local.identifier.absfor060112 - Structural Biology (incl. Macromolecular Modelling)
local.identifier.ariespublicationf5625xPUB10233
local.type.statusPublished Version
local.contributor.affiliationCorry, Ben, College of Medicine, Biology and Environment, ANU
local.description.embargo2037-12-31
local.bibliographicCitation.issue5
local.bibliographicCitation.startpage1427
local.bibliographicCitation.lastpage1434
local.identifier.doi10.1021/jp709845u
local.identifier.absseo970111 - Expanding Knowledge in the Medical and Health Sciences
local.identifier.absseo920111 - Nervous System and Disorders
local.identifier.absseo970106 - Expanding Knowledge in the Biological Sciences
dc.date.updated2015-12-11T10:58:49Z
local.identifier.scopusID2-s2.0-39649089584
local.identifier.thomsonID000252814700015
CollectionsANU Research Publications

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