Fluids and electrolytes under confinement in single-digit nanopores
Confined fluids and electrolyte solutions in nanopores exhibit rich and surprising physics
and chemistry that impact the mass transport and energy efficiency in many important …
and chemistry that impact the mass transport and energy efficiency in many important …
A review of steric interactions of ions: Why some theories succeed and others fail to account for ion size
D Gillespie - Microfluidics and Nanofluidics, 2015 - Springer
As nanofluidic devices become smaller and their surface charges become larger, the steric
interactions of ions in the electrical double layers at the device walls will become more …
interactions of ions in the electrical double layers at the device walls will become more …
Effects of electrostatic correlations on electrokinetic phenomena
The classical theory of electrokinetic phenomena is based on the mean-field approximation
that the electric field acting on an individual ion is self-consistently determined by the local …
that the electric field acting on an individual ion is self-consistently determined by the local …
Homogenization of the Poisson--Nernst--Planck equations for ion transport in charged porous media
Effective Poisson--Nernst--Planck (PNP) equations are derived for ion transport in charged
porous media under forced convection (periodic flow in the frame of the mean velocity) by an …
porous media under forced convection (periodic flow in the frame of the mean velocity) by an …
High energy conversion efficiency in nanofluidic channels
D Gillespie - Nano letters, 2012 - ACS Publications
It is proposed that the layering of large ions at the wall/liquid interface of nanofluidic
channels can be used to achieve high efficiency (possibly> 50%) in the conversion of …
channels can be used to achieve high efficiency (possibly> 50%) in the conversion of …
Ion correlation-driven like-charge attraction in multivalent salt solutions
The electrostatic double layer force is key to determining the stability and self-assembly of
charged colloids and many other soft matter systems. Fully understanding the attractive force …
charged colloids and many other soft matter systems. Fully understanding the attractive force …
Electrostatic correlation induced ion condensation and charge inversion in multivalent electrolytes
NR Agrawal, R Wang - Journal of Chemical Theory and …, 2022 - ACS Publications
The study of the electrical double layer lies at the heart of colloidal and interfacial science.
The standard mean-field Poisson–Boltzmann (PB) theory is incapable of modeling many …
The standard mean-field Poisson–Boltzmann (PB) theory is incapable of modeling many …
Multiscale analysis of the effect of surface charge pattern on a nanopore's rectification and selectivity properties: From all-atom model to Poisson-Nernst-Planck
We report a multiscale modeling study for charged cylindrical nanopores using three
modeling levels that include (1) an all-atom explicit-water model studied with molecular …
modeling levels that include (1) an all-atom explicit-water model studied with molecular …
Nature of overcharging and charge inversion in electrical double layers
Understanding overcharging and charge inversion is one of the long-standing challenges in
soft matter and biophysics. To study these phenomena, we employ the modified Gaussian …
soft matter and biophysics. To study these phenomena, we employ the modified Gaussian …
[HTML][HTML] A systematic Monte Carlo simulation study of the primitive model planar electrical double layer over an extended range of concentrations, electrode charges …
The purpose of this study is to provide data for the primitive model of the planar electrical
double layer, where ions are modeled as charged hard spheres, the solvent as an implicit …
double layer, where ions are modeled as charged hard spheres, the solvent as an implicit …