Water diffusion in carbon nanotubes under directional electric frields : coupling between mobility and hydrogen bonding.

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MetadadosDescriçãoIdioma
Autor(es): dc.creatorFreitas, Débora Nazaré de-
Autor(es): dc.creatorMendonça, Bruno Henrique da Silva e-
Autor(es): dc.creatorKohler, Mateus Henrique-
Autor(es): dc.creatorBarbosa, Márcia Cristina Bernardes-
Autor(es): dc.creatorMatos, Matheus Josué de Souza-
Autor(es): dc.creatorBatista, Ronaldo Junio Campos-
Autor(es): dc.creatorOliveira, Alan Barros de-
Data de aceite: dc.date.accessioned2025-08-21T15:26:33Z-
Data de disponibilização: dc.date.available2025-08-21T15:26:33Z-
Data de envio: dc.date.issued2022-03-03-
Data de envio: dc.date.issued2022-03-03-
Data de envio: dc.date.issued2019-
Fonte completa do material: dc.identifierhttp://www.repositorio.ufop.br/jspui/handle/123456789/14627-
Fonte completa do material: dc.identifierhttps://www.sciencedirect.com/science/article/abs/pii/S0301010420301592-
Fonte completa do material: dc.identifierhttps://doi.org/10.1016/j.chemphys.2020.110849-
Fonte: dc.identifier.urihttp://educapes.capes.gov.br/handle/capes/1014862-
Descrição: dc.descriptionMolecular Dynamics simulations of water confined in carbon nanotubes subjected to external electric fields show that water mobility strongly depends on the confining geometry, the intensity and directionality of the electric field. While fields forming angles of 0° and 45° slow down the water dynamics by increasing organization, perpendicular fields can enhance water diffusion by decreasing hydrogen bond formation. For 1.2 diameter long nanotubes, the parallel field destroys the ice-like water structure increasing mobility. These results indicate that the structure and dynamics of confined water are extremely sensitive to external fields and can be used to facilitate filtration processes.-
Formato: dc.formatapplication/pdf-
Idioma: dc.languageen-
Direitos: dc.rightsrestrito-
Título: dc.titleWater diffusion in carbon nanotubes under directional electric frields : coupling between mobility and hydrogen bonding.-
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