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Diffusion behavior of water confined in deformed carbon nanotubes
We use molecular dynamics simulations to study the diffusion of water inside
deformed carbon nanotubes, with different degrees of eccentricity at 300K. We
found a water structural transition between tubular-like to single-file for the
(7,7) nanotubes associated with a change from a high to low mobility regimes.
The water which in the undeformed (9,9) nanotubes is frozen, becomes liquid for
the distortion above a certain threshold. These water diffusion enhancement
(suppresion) is related to a reduction (increase) in the number of hydrogen
bonds. This suggests that the shape of the nanotube is a particularly important
ingredient when considering the dynamical and structural properties of confined
water.Comment: 16 pages, 9 figure
Intensidade de míldio em videira da c.v. Festival sob diferentes formas de coberturas.
Suplemento. Ref. EPI-069. Edição dos Resumos do 41. Congresso Brasileiro de Fitopatologia, Belo Horizonte, ago. 2008
Determinação, avaliação e monitoramento da borracha natural crua dos novos clones da série IAC 300.
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