Browsing by Subject "Confined water"
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Article
The density of water in carbon nanotubes
(2008)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 ...
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Article
Influence of water model and nanotube rigidity on the density of water in carbon nanotubes
(2008)The density of water calculated through molecular dynamic simulations using different water models and rigid/flexible carbon nanotubes is studied. A previous equation, determined in an earlier work in order to correlate ...
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Article
Self-diffusivity, hydrogen bonding and density of different water models in carbon nanotubes
(2008)In this paper, the density, hydrogen bonding and self-diffusivity of water confined in carbon nanotubes are investigated. Molecular dynamics is used to simulate a large variety of nanotubes with various water models. Our ...