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Permeation of Water Nanodroplets on Carbon Nanotubes Forests

Published online by Cambridge University Press:  31 January 2017

Ygor M. Jaques  and
Douglas S. Galvao
Ygor M. Jaques*
Affiliation:
Applied Physics Department, University of Campinas, Campinas, SP 13081-970, Brazil
Douglas S. Galvao
Affiliation:
Applied Physics Department, University of Campinas, Campinas, SP 13081-970, Brazil
*
*(Email: ymjaques@gmail.com)
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Abstract

Fully atomistic molecular dynamics simulations were carried out to investigate how a liquid-like water droplet behaves when into contact with a nanopore formed by carbon nanotube arrays. We have considered different tube arrays, varying the spacing between them, as well as, different chemical functionalizations on the uncapped nanotubes. Our results show that simple functionalizations (for instance, hydrogen ones) allow tuning up the wetting surface properties increasing the permeation of liquid inside the nanopore. For functionalizations that increase the surface hydrophilicity, even when the pore size is significantly increased the droplet remains at the surface without tube permeation.

Keywords

simulationnanostructureporosity
Type
Articles
Information
MRS Advances , Volume 2 , Issue 2: Nanomaterials , 2017 , pp. 123 - 128
Copyright
Copyright © Materials Research Society 2017 

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References

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