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Thermostat choice significantly influences water flow rates in molecular dynamics studies of carbon nanotubes

Thomas, Michael; Corry, Ben


Extremely rapid water flow through carbon nanotubes has been observed in both experiment and simulation which has led to the suggestion that this material be used in a number of filtration applications. However, there is significant disparity in the magnitude of water permeability and the degree of flow enhancement compared with conventional porous materials in the literature. Here, we show that one of the causes of the disparity in simulation data is the variety of methods used to control...[Show more]

CollectionsANU Research Publications
Date published: 2015
Type: Journal article
Source: Microfluidics and Nanofluidics
DOI: 10.1007/s10404-014-1406-y


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