Diffusion behaviour of water confined in deformed carbon nanotubes.

Registro completo de metadados
MetadadosDescriçãoIdioma
Autor(es): dc.creatorMendonça, Bruno Henrique da Silva e-
Autor(es): dc.creatorFreitas, Débora Nazaré de-
Autor(es): dc.creatorKohler, Mateus Henrique-
Autor(es): dc.creatorBatista, Ronaldo Junio Campos-
Autor(es): dc.creatorBarbosa, Márcia Cristina Bernardes-
Autor(es): dc.creatorOliveira, Alan Barros de-
Data de aceite: dc.date.accessioned2025-08-21T15:38:37Z-
Data de disponibilização: dc.date.available2025-08-21T15:38:37Z-
Data de envio: dc.date.issued2019-06-10-
Data de envio: dc.date.issued2019-06-10-
Data de envio: dc.date.issued2019-
Fonte completa do material: dc.identifierhttp://www.repositorio.ufop.br/handle/123456789/11510-
Fonte completa do material: dc.identifierhttps://www.sciencedirect.com/science/article/pii/S037843711831478X-
Fonte completa do material: dc.identifierhttps://doi.org/10.1016/j.physa.2018.11.042-
Fonte: dc.identifier.urihttp://educapes.capes.gov.br/handle/capes/1020464-
Descrição: dc.descriptionWe use molecular dynamics simulations to study the diffusion of water inside deformed carbon nanotubes with different degrees of eccentricity at 300 K. We found a water structural transition between tubular-like to single-file for (7,7) nanotubes associated with change from a high to low mobility regimes. Water is frozen when confined in a perfect (9,9) nanotube and it becomes liquid if such a nanotube is deformed above a certain threshold. Water diffusion enhancement (suppression) is related to a reduction (increase) in the number of hydrogen bonds. This suggests that the shape of the nanotube is an important ingredient when considering the dynamical and structural properties of confined water.-
Formato: dc.formatapplication/pdf-
Idioma: dc.languageen-
Direitos: dc.rightsrestrito-
Palavras-chave: dc.subjectConfined water-
Palavras-chave: dc.subjectMobility-
Título: dc.titleDiffusion behaviour of water confined in deformed carbon nanotubes.-
Aparece nas coleções:Repositório Institucional - UFOP

Não existem arquivos associados a este item.