Now showing items 1-10 of 148
Dynamics and structural behavior of water in large confinement with planar amorphous walls
(American Institute of Physics, 2017-07)
We study the structure and dynamics of liquid water confined between planar amorphous walls using molecular dynamics (MD) simulations. We report MD results for systems of more than 23 000 SPC/E water molecules confined ...
Confinamento de líquidos em nanoescala
(Universidade Federal de São CarlosBRUFSCarPrograma de Pós-graduação em Química, 2012-02-27)
The effects on the reduction of space on the structural properties of two liquids and a mixture thereof were analyzed with a definition of nanoscale confinement, based on carbon nanotubes. The methodology involves the use ...
A predictive model for confined and unconfined nucleate boiling heat transfer coefficient
The aim of this study is to investigate the influences of different parameters on the boiling phenomenon. In this paper, a new correlation to predict the pool boiling heat transfer coefficient is presented. The developed ...
Excess Sorption of Supercritical CO2 within Cylindrical Silica Nanopores
(American Chemical Society, 2016-01)
Using Molecular Dynamics simulations, we examine structural and dynamical properties of supercritical CO2 confined within cylindrical hydrophobic nanopores of diameters 38 and 10 Å. Computer simulations were performed along ...
Final state of a perturbed liquid film inside a container under the effect of solid-liquid molecular forces and gravity
(American Physical Society, 2014-04)
We investigate theoretically the possible final stationary configurations that can be reached by a laterally confined uniform liquid film inside a container. The liquid is under the action of gravity, surface tension, and ...
Ionic Liquids Entrapped in Reverse Micelles as Nanoreactors for Bimolecular Nucleophilic Substitution Reaction. Effect of the Confinement on the Chloride Ion Availability
(American Chemical Society, 2014-04)
In this work was explored how the confinement of two ionic liquids (ILs), 1-butyl-3-methylimidazolium chloride (bmimCl) and 1-butyl-3-methylimidazolium tetrafluoroborate (bmimBF4), inside toluene/benzyl-n-hexadecyldimethylammonium ...