Results 41 to 50 of about 6,422 (223)
New Structural Anomaly Induced by Nanoconfinement [PDF]
The Journal of Physical Chemistry B, 2014 We explore the structural properties of anomalous fluids confined in a nanopore using Molecular Dynamics simulations. The fluid is modeled by core-softened (CS) potentials that have a repulsive shoulder and an attractive well at a further distance. Changing the attractive well depth of the fluid-fluid interaction potential, we studied the behavior of ...
Krott, Leandro B. +2 more
openaire +3 more sources
Confinement of LiAlH4 in a Mesoporous Carbon Black for Improved Near-Ambient Release of H2
Reactions, 2023 LiAlH4 is a potential solid-state H2 storage material, where safe and efficient H2 storage is of critical importance for the transition towards a sustainable emission-free economy.
Pavle Ramah +5 more
doaj +1 more source
Why are Fluid Densities So Low in Carbon Nanotubes? [PDF]
, 2015 The equilibrium density of fluids under nanoconfinement can differ substantially from their bulk density. Using a mean-field approach to describe the energetic landscape near the carbon nanotube (CNT) wall, we obtain analytical results describing the ...
Hadjiconstantinou, Nicolas G. +1 more
core +2 more sources
Unravelling nanoconfined films of ionic liquids [PDF]
The Journal of Chemical Physics, 2014 The confinement of an ionic liquid between charged solid surfaces is treated using an exactly solvable 1D Coulomb gas model. The theory highlights the importance of two dimensionless parameters: the fugacity of the ionic liquid, and the electrostatic interaction energy of ions at closest approach, in determining how the disjoining pressure exerted on ...
Alpha A. Lee +3 more
openaire +4 more sources
Size–Pore-Dependent Methanol Sequestration from Water–Methanol Mixtures by an Embedded Graphene Slit
Molecules, 2023 The separation of liquid mixture components is relevant to many applications—ranging from water purification to biofuel production—and is a growing concern related to the UN Sustainable Development Goals (SDGs), such as “Clean water and Sanitation” and ...
Roger Bellido-Peralta +3 more
doaj +1 more source
Structure and dynamics of water at carbon-based interfaces [PDF]
, 2017 Water structure and dynamics are affected by the presence of a nearby interface. Here, first we review recent results by molecular dynamics simulations about the effect of different carbon-based materials, including armchair carbon nanotubes and a ...
Calero, Carles +2 more
core +3 more sources
Nanoconfined Circular DNA [PDF]
Biophysical Journal, 2014 Nanofluidic channels have become a versatile tool to manipulate single DNA molecules. They allow investigation of confined single DNA molecules from a fundamental polymer physics perspective as wel ...
Alizadehheidari, Mohammadreza +9 more
openaire +1 more source
Ballistic Brownian Motion of Nanoconfined DNA
ACS Nano, 2023 Theoretical treatments of polymer dynamics in liquid generally start with the basic assumption that motion at the smallest scale is heavily overdamped; therefore, inertia can be neglected. We report on the Brownian motion of tethered DNA under nanoconfinement, which was analyzed by molecular dynamics simulation and nanoelectrochemistry-based single ...
Madrid, Ignacio +10 more
openaire +3 more sources
Scaling theory of DNA confined in nanochannels and nanoslits
, 2008 A scaling analysis is presented of the statistics of long DNA confined in nanochannels and nanoslits. It is argued that there are several regimes in between the de Gennes and Odijk limits introduced long ago.
A. Balducci +5 more
core +1 more source
Nanoconfined ammonia borane in a flexible metal-organic framework Fe-MIL-53: clean hydrogen release with fast kinetics [PDF]
, 2013 We demonstrated the dehydrogenation behaviour of nanoconfined ammonia borane (AB) in Fe–MIL-53, a flexible metal–organic framework (MOF) by solid state thermolysis.
Ford, J +5 more
core +1 more source