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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 ...
Atomistic Study of Water Confined in Silica.
(Sociedade Brasileira de FísicaÁguas de Lindóia, 2013-05-13)
In this work, we have used a combined of atomistic simulation methods to explore the effects of confinement of water molecules between silica surfaces. Firstly, the mechanical properties of water severe confined (~3A) ...
Adhesion as a tool for in-built nanotechnology design in cementitious materials
(KOREAN ASSOC CRYSTAL GROWTH, INC, 2010)
Confined water, such as those molecules in nanolayers of 2-3 nm in length, plays an important role in the adhesion of hydrophilic materials, mainly in cementitious ones. In this study, the effects of water containing ...
Análise das propriedades dinâmicas e estruturais da água confinada entre placas hidrofóbicas
(Universidade Federal de Santa MariaBRFísicaUFSMPrograma de Pós-Graduação em Física, 2013-04-26)
In this work we studied the properties of confined water by graphene sheets via Classical
Molecular Dynamics. The main objective of this dissertation is to understand how the
structural and dynamic properties of confined ...
Molecular Dynamics Simulations of Water Confined in Calcite Slit Pores: An NMR Spin Relaxation and Hydrogen Bond Analysis
(American Chemical Society, 2017-03)
We study water confined in calcite (104) slit pores from 6 to 1 nm by molecular dynamics. By determining NMR parameters combined with hydrogen bond network analysis, we provide an important contribution to the understanding ...
Dielectric response of frustrated water down to a single-molecule contribution
(Wiley VCH Verlag, 2017-06-12)
A theory of dielectric response of water under nanoscale confinement was long overdue. This work addresses the problem by establishing a relation between dielectric response and hydrogen-bond frustration subsumed in a ...
Correlated dynamics of water and amphiphilic molecules in thin Newton black films
(American Institute of Physics, 2010-02)
The dynamical properties of amphiphilics in Newton black films, as well as those of the water confined between the two charged hydrophilic surfaces, have been calculated via a series of molecular dynamic calculations in ...
Structural and functional properties of hydration and confined water in membrane interfaces
(Elsevier Science, 2008-12)
The scope of the present review focuses on the interfacial properties of cell membranes that may establish a link between the membrane and the cytosolic components. We present evidences that the current view of the membrane ...
Water state and carbonyl distribution populations in confined regions of lipid bilayers observed by FTIR spectroscopy
(American Chemical Society, 2013-01)
It has been suggested that water in confined regions presents different properties than bulk water, mainly because of the changes in water population species that may be induced by the adjacent walls of different polarities ...