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Multiscale simulation of enhanced water flow in nanotubes

Published online by Cambridge University Press:  12 April 2017

Matthew K. Borg  and
Jason M. Reese
Matthew K. Borg
Affiliation:
The University of Edinburgh, UK; [email protected]
Jason M. Reese
Affiliation:
The University of Edinburgh, UK; [email protected]
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Abstract

Nanotubes (NTs) with diameters less than 2 nm have been proposed for next-generation reverse osmosis membranes. At this molecular scale, the NTs are narrow enough to block salt ions and other contaminants, but still wide enough to allow water to flow along the NTs at seemingly unprecedented rates. Simulations for design of NT membranes can be challenging. On the one hand, the standard equations for water flow through pipes are not applicable at sub-2-nm scales due to the dominance of non-continuum phenomena; on the other hand, full molecular simulations are computationally intractable for flows up to laboratory or prototype scales. This article describes recent multiscale approaches to simulating flows through aligned NT membranes of various materials. These multiscale techniques offer a unique and economical solution that can shed light on sometimes conflicting experimental results and point the way to future engineering design of nanostructured membranes.

Keywords

nanoscalenanostructurefluidicswater
Type
Research Article
Information
MRS Bulletin , Volume 42 , Issue 4: Materials Enabling Nanofluidic Flow Enhancement , April 2017 , pp. 294 - 299
Copyright
Copyright © Materials Research Society 2017 

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