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Critical knowledge gaps in mass transport through single-digit nanopores: A review and perspective
Not all nanopores are created equal. By definition, nanopores have characteristic diameters
or conduit widths between∼ 1 and 100 nm. However, the narrowest of such pores, perhaps …
or conduit widths between∼ 1 and 100 nm. However, the narrowest of such pores, perhaps …
What controls thermo-osmosis? Molecular simulations show the critical role of interfacial hydrodynamics
Thermo-osmotic and related thermophoretic phenomena can be found in many situations
from biology to colloid science, but the underlying molecular mechanisms remain largely …
from biology to colloid science, but the underlying molecular mechanisms remain largely …
Applied electric field effects on diffusivity and electrical double‐layer thickness
This study utilizes molecular dynamics (MD) simulations and continuum frameworks to
explore electroosmotic flow (EOF) in nanoconfined aqueous electrolytes, offering a …
explore electroosmotic flow (EOF) in nanoconfined aqueous electrolytes, offering a …
Unraveling the molecular interface and boundary problems in an electrical double layer and electroosmotic flow
In a nanofluidic system, the electroosmotic flow (EOF) is a complex fluid transport
mechanism, where the formation of an electrical double layer (EDL) occurs ubiquitously at …
mechanism, where the formation of an electrical double layer (EDL) occurs ubiquitously at …
Accurate modeling of a biological nanopore with an extended continuum framework
Despite the broad success of biological nanopores as powerful instruments for the analysis
of proteins and nucleic acids at the single-molecule level, a fast simulation methodology to …
of proteins and nucleic acids at the single-molecule level, a fast simulation methodology to …
Mineral-and ion-specific effects at clay–water interfaces: structure, diffusion, and hydrodynamics
We use molecular dynamics to investigate how the structure, diffusion, and hydrodynamic
properties of clay interfaces with aqueous solutions depend on the nature of the clay, the …
properties of clay interfaces with aqueous solutions depend on the nature of the clay, the …
Molecular and continuum transport perspectives on electroosmotic slip flows
Velocity slip in electroosmotic flows (EOF) is investigated using an analytical solution of
Poisson–Boltzmann and Stokes (PB-S) equations with slip correction, and the results are …
Poisson–Boltzmann and Stokes (PB-S) equations with slip correction, and the results are …
Carbon nanotube membranes for the separation of Li+ and Mg2+ ions: Effect of functional groups with charges
Q Wang, J Song, X Gao, L Liu, C Liu - Desalination, 2022 - Elsevier
Non-equilibrium molecular dynamics simulations were employed to explore the Mg 2+/Li+
separation efficiency of pristine and functionalized carbon nanotubes (CNT) for the MgCl …
separation efficiency of pristine and functionalized carbon nanotubes (CNT) for the MgCl …
Diffusio-osmosis of oil–CO2 mixture in inorganic nanopores
Diffusio-osmosis is the interfacial transport induced by solute density gradient and plays an
essential role in many micro/nanofluidic systems. Here, we report the molecular dynamics …
essential role in many micro/nanofluidic systems. Here, we report the molecular dynamics …
The role of water models on the prediction of slip length of water in graphene nanochannels
Slip lengths reported from molecular dynamics (MD) simulations of water flow in graphene
nanochannels show significant scatter in the literature. These discrepancies are in part due …
nanochannels show significant scatter in the literature. These discrepancies are in part due …