Zobrazeno 1 - 10
of 459
pro vyhledávání: '"Barbosa, Marcia C."'
Autor:
Leivas, Fernanda R., Zhao, Menghua, Allemand, Aymeric, Cottin-Bizonne, Cecile, Ramos, Stella M. M., Barbosa, Marcia C., Biance, Anne-Laure
Understanding the adsorption of water and characterizing the water film formed within nanostructures are essential for advancements in fields such as nanofluidics, water purification, and biosensing devices. In our research, we focus on studying the
Externí odkaz:
http://arxiv.org/abs/2410.07203
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
In this work we explore the one-dimensional extended Hubbard model as a fluid system modelling liquid phases of different densities. This model naturally displays two length scales of interaction, which are connected with waterlike anomalies. We anal
Externí odkaz:
http://arxiv.org/abs/2306.01161
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
We modeled the change in the temperature of maximum density (TMD) of a water-like solvent when small amounts of solute are added to the mixture. The solvent is modeled as a two length scales potential, which is known to exhibit water-like characteris
Externí odkaz:
http://arxiv.org/abs/2212.06578
In this work, the dielectric behavior of water inside charged nanoslit of graphene is studied to analized the water molecules under electrical confinement; through polarizing the nanoslit of graphene, creating an electric field inside the nanopore. H
Externí odkaz:
http://arxiv.org/abs/2208.05619
We study the change in the temperature of maximum density (TMD) of a water-like solvent when small amounts of solute are added to the mixture. The water is modeled as a two length scales potential, which is known to exhibit water-like characteristic
Externí odkaz:
http://arxiv.org/abs/2204.12448
One of the most promising applications in nanoscience is the design of new materials to improve water permeability and selectivity of nanoporous membranes. Understanding the molecular architecture behind these fascinating structures and how it impact
Externí odkaz:
http://arxiv.org/abs/2109.04437
Autor:
Abal, João P. K., Barbosa, Marcia C.
Nanoscale materials are a promising desalination technology. While fast water flow in nanotubes is well understood, this is not the case for water permeability in single-layer membranes. The physical-chemical balance between nanopore size, shape, and
Externí odkaz:
http://arxiv.org/abs/2012.07795