Water in nanopores and biological channels: a molecular simulation perspective
This Review explores the dynamic behavior of water within nanopores and biological
channels in lipid bilayer membranes. We focus on molecular simulation studies, alongside …
channels in lipid bilayer membranes. We focus on molecular simulation studies, alongside …
Transport phenomena in nano/molecular confinements
The transport of fluid and ions in nano/molecular confinements is the governing physics of a
myriad of embodiments in nature and technology including human physiology, plants …
myriad of embodiments in nature and technology including human physiology, plants …
Structural and dynamical properties of liquids in confinements: A review of molecular dynamics simulation studies
Molecular dynamics (MD) simulations are a powerful tool for detailed studies of altered
properties of liquids in confinement, in particular, of changed structures and dynamics. They …
properties of liquids in confinement, in particular, of changed structures and dynamics. They …
Adsorption at nanoconfined solid–water interfaces
Reactions at solid–water interfaces play a foundational role in water treatment systems,
catalysis, and chemical separations, and in predicting chemical fate and transport in the …
catalysis, and chemical separations, and in predicting chemical fate and transport in the …
Apparent diffusion coefficient for adsorption-controlled gas transport in nanoporous media
We present an apparent diffusion coefficient derived from a diffusion-based mass
conservation equation for single-component gas transport in nanoporous media. Multiple …
conservation equation for single-component gas transport in nanoporous media. Multiple …
[HTML][HTML] Recent advances in applications of carbon nanotubes for desalination: A review
As a sustainable, cost-effective and energy-efficient method, membranes are becoming a
progressively vital technique to solve the problem of the scarcity of freshwater resources …
progressively vital technique to solve the problem of the scarcity of freshwater resources …
[HTML][HTML] Wettability of graphite under 2D confinement
The thermodynamics of solid/liquid interfaces under nanoconfinement has tremendous
implications for liquid transport properties. Here using molecular dynamics, we investigate …
implications for liquid transport properties. Here using molecular dynamics, we investigate …
Water under extreme confinement in graphene: Oscillatory dynamics, structure, and hydration pressure explained as a function of the confinement width
Graphene nanochannels are relevant for their possible applications, as in water purification,
and for the challenge of understanding how they change the properties of confined liquids …
and for the challenge of understanding how they change the properties of confined liquids …
Ab initio nanofluidics: disentangling the role of the energy landscape and of density correlations on liquid/solid friction
Despite relevance to water purification and renewable energy conversion membranes, the
molecular mechanisms underlying water slip are poorly understood. We disentangle the …
molecular mechanisms underlying water slip are poorly understood. We disentangle the …
[HTML][HTML] Thermally activated viscoelasticity of cement paste: minute-long creep tests and micromechanical link to molecular properties
The stiffness of cementitious materials decreases with increasing temperature. Herein,
macroscopic samples of mature cement pastes are subjected at 20, 30, and 45° C …
macroscopic samples of mature cement pastes are subjected at 20, 30, and 45° C …