Zobrazeno 1 - 10
of 32
pro vyhledávání: '"Mendonça, Bruno H. S."'
Autor:
Fonseca, Tássylla O., Mendonça, Bruno H. S., de Moraes, Elizane E., de Oliveira, Alan B., Barbosa, Marcia C.
Through Monte Carlo simulations and the Associating Lattice Gas Model, the phases of a two-dimensional fluid under hydrophilic confinement are evaluated. The model, in its unconfined version, reproduces the anomalous behavior of water regarding its d
Externí odkaz:
http://arxiv.org/abs/2409.13089
Autor:
Mendonça, Bruno H. S., de Moraes, Elizane E., Kirch, Alexsandro, Batista, Ronaldo J. C., de Oliveira, Alan B., Barbosa, Marcia C., Chacham, Hélio
In this study, using non-equilibrium molecular dynamics simulation, the flow of water in deformed carbon nanotubes is studied for two water models TIP4P/2005 and SPC/FH. The results demonstrated a non-uniform dependence of the flow on the tube deform
Externí odkaz:
http://arxiv.org/abs/2305.01824
Autor:
Mendonça, Bruno H. S., de Moraes, Elizane E., Batista, Ronaldo J. C., de Oliveira, Alan B., Barbosa, Marcia C., Chacham, Hélio
We compared the diffusion of water confined in armchair and zigzag carbon nanotubes for rigid and flexible water models. Using one rigid model, TIP4P/2005, and two flexible models, SPC/Fw and SPC/FH, we found that the number of the number of hydrogen
Externí odkaz:
http://arxiv.org/abs/2301.09000
Autor:
Mendonça, Bruno H. S., Ternes, Patricia, Salcedo, Evy, de Oliveira, Alan B., Barbosa, Marcia C.
In this article we investigate through molecular dynamics simulations the diffusion behavior of the TIP4P/2005 water when confined in pristine and deformed carbon nanotubes (armchair and zigzag). To analyze different diffusive mechanisms, the water t
Externí odkaz:
http://arxiv.org/abs/2009.13611
Autor:
de Freitas, Débora N., Mendonça, Bruno H. S., Köhler, Mateus H., Barbosa, Márcia C., Matos, Matheus J. de Souza, Batista, Ronaldo J. C., de Oliveira, Alan B.
We have investigated the diffusion and structure of TIP4P/2005 water confined in carbon nanotubes subjected to external electric fields. A wide range of diameters has been used to show a highly size-dependent behavior of the water diffusion. We also
Externí odkaz:
http://arxiv.org/abs/1906.03356
Autor:
Mendonça, Bruno H. S., Ternes, Patricia, Salcedo, Evy, de Oliveira, Alan B., Barbosa, Marcia C.
Publikováno v:
The Journal of Chemical Physics 152, 024708 (2020)
We use molecular dynamics simulations to study the diffusion of water inside deformed carbon nanotubes with different degrees of deformation at 300 K. We found that the number of hydrogen bonds that water forms depends on nanotube topology, leading t
Externí odkaz:
http://arxiv.org/abs/1811.10490
Autor:
Mendonça, Bruno H. S., de Freitas, Débora N., Köhler, Mateus H., Batista, Ronaldo J. C., Barbosa, Marcia C., de Oliveira, Alan B.
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
Externí odkaz:
http://arxiv.org/abs/1803.01084
Akademický článek
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Akademický článek
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Autor:
Mendonça, Bruno H. S., Pereira, Neuma, Rezende, Natália P., Moraes, Elizane E. de, Lacerda, Rodrigo G., Chacham, Helio
Publikováno v:
The Journal of Physical Chemistry - Part C; May 2024, Vol. 128 Issue: 19 p8042-8047, 6p
