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Mostrando ítems 1-10 de 2062
Chemical potential and free energy of nanoconfined water in Newton black films
(Elsevier Science, 2018-09)
In this work we investigate possible approximations to the free energy and chemical potential of water within a Newton black film as a natural nanoconfinement. As a first step we explore the different approximations in a ...
Water Flow in Silica Nanopores Coated by Carbon Nanotubes from a Wetting Translucency Perspective
(American Chemical Society, 2019)
Nearly frictionless water transport makes carbon nanotubes promising materials for use as conduits in nanofluidic applications. Here, we conduct molecular dynamics simulations of water flow within amorphous silica nanopores ...
Asymptotic approach for the nonlinear equatorial long wave interactions
(2011-08-30)
In the present work we use an asymptotic approach to obtain the long wave equations. The shallow water equation is put as a function of an external parameter that is a measure of both the spatial scales anisotropy and the ...
Asymptotic approach for the nonlinear equatorial long wave interactions
(2011-08-30)
In the present work we use an asymptotic approach to obtain the long wave equations. The shallow water equation is put as a function of an external parameter that is a measure of both the spatial scales anisotropy and the ...
Entrance dynamics of CH4 molecules through a methane-water interface
(Elsevier Science, 2015-09)
We studied the entrance mechanism of methane molecules into bulk water by Molecular Dynamics simulation over a broad time window. We corroborated that the presence of absorbed methane, under the studied thermodynamic state ...
Structural aspects of an energy-based water classification index and the structure–dynamics link in glassy relaxation
(Springer Science and Business Media Deutschland GmbH, 2021-03-30)
An energy-based structural indicator for water, V4, has been recently introduced by our group. In turn, in this work we aim at: (1) demonstrating that V4 is indeed able to correctly classify water molecules between locally ...
Thermodynamics and Dynamics of Supercritical Water Pseudo-Boiling
(John Wiley & Sons Inc., 2021-02)
Supercritical fluid pseudo-boiling (PB), recently brought to the attention of the scientific community, is the phenomenon occurring when fluid changes its structure from liquid-like (LL) to gas-like (GL) states across the ...
Free energy calculation using Monte Carlo simulation
(Soc Brasileira QuimicaSao PauloBrasil, 1996)