The density of water in carbon nanotubes

Alessio Alexiadis; Stavros Kassinos

doi:10.1016/j.ces.2007.12.035

The density of water in carbon nanotubes

Alessio Alexiadis, Stavros Kassinos^*

^*Corresponding author for this work

Chemical Engineering

Research output: Contribution to journal › Article › peer-review

78 Citations (Scopus)

Abstract

In this paper, the density of water confined in carbon nanotubes of different sizes and chirality is calculated. Molecular dynamics is used to simulate the spontaneous filling of the nanotube with water molecules coming from an external bath. Three H₂ O filling modes are found and a correlation, which relates the density with the nanotube diameter, is proposed.

Original language	English
Pages (from-to)	2047-2056
Number of pages	10
Journal	Chemical Engineering Science
Volume	63
Issue number	8
DOIs	https://doi.org/10.1016/j.ces.2007.12.035
Publication status	Published - Apr 2008

Keywords

Carbon nanotubes
Confined water
Molecular dynamics

ASJC Scopus subject areas

Chemistry(all)
Chemical Engineering(all)
Industrial and Manufacturing Engineering
Applied Mathematics

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10.1016/j.ces.2007.12.035

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abstract = "In this paper, the density of water confined in carbon nanotubes of different sizes and chirality is calculated. Molecular dynamics is used to simulate the spontaneous filling of the nanotube with water molecules coming from an external bath. Three H2 O filling modes are found and a correlation, which relates the density with the nanotube diameter, is proposed.",

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The density of water in carbon nanotubes

Abstract

Keywords

ASJC Scopus subject areas

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