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Temperature effects on the static and dynamic properties of liquid water inside nanotubes

Autor
Marti, J.; Gordillo, M. C.
Tipus d'activitat
Article en revista
Revista
Physical review E, statistical physics, plasmas, fluids, and related interdisciplinary topics
Data de publicació
2001-07
Volum
64
Número
02
Pàgina inicial
1
Pàgina final
6
DOI
https://doi.org/10.1103/PhysRevE.64.021504 Obrir en finestra nova
Repositori
https://journals.aps.org/pre/abstract/10.1103/PhysRevE.64.021504 Obrir en finestra nova
Resum
We report a molecular dynamics simulation study of the behavior of liquid water adsorbed in carbon nanotubes under different thermodynamic conditions. A flexible simple point charged potential has been employed to model internal and intermolecular water interactions. Water-carbon forces are modeled with a Lennard-Jones-type potential. We have studied three types of tubes with effective radii ranging from 4.1 to 6.8 Å and three temperatures, from 298 to 500 K for a fixed density of 1 g/cm3. Stru...
Grup de recerca
SIMCON - Grup de Recerca de Simulació per Ordinador en Matèria Condensada

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