Related papers: A simple model for semipermeable membrane: Donnan …
We investigate electro-osmosis in aqueous solutions of polyelectrolytes using mean-field equations. A solution of positively charged polyelectrolytes is confined between two negatively charged planar surfaces, and an electric field is…
We develop a wave packet molecular dynamics framework for modeling the structural properties of partially-ionized dense plasmas, based on a chemical model that explicitly includes bound state wavefunctions. Using hydrogen as a…
The recently developed modified Donnan (mD) model provides a simple and useful description of the electrical double layer in microporous carbon electrodes, suitable for incorporation in porous electrode theory. By postulating an attractive…
Several statistical mechanical theories predict that colloidal suspensions of highly charged macroions and monovalent microions can exhibit unusual thermodynamic phase behavior when strongly deionized. Density-functional, extended…
The paper presents a new type of weakly nonlinear two-scale model of inflatable periodic poroelastic structures saturated by Newtonian fluids. The periodic microstructures incorporate fluid inclusions connected to the fluid channels by…
We use all-atom molecular dynamics simulations informed by density functional theory calculations to investigate aqueous ion transport across sub-nanoporous monolayer molybdenum disulfide (MoS$_2$) membranes subject to varying tensile…
The charge distribution at the interface between two electrolytes is studied for the case of non-vanishing ion fluxes. The analysis is an extension of the established Verwey-Niessen theory to non-equilibrium situations. Applying matched…
We investigate the dynamics of water confined in soft ionic nano-assemblies, an issue critical for a general understanding of the multi-scale structure-function interplay in advanced materials. We focus in particular on hydrated…
A model for the current-voltage characteristic of the junction between an Ion-Sensitive-Membrane and an electrolyte solution is derived and compared with numerical simulations of the Poisson-Nernst-Planck model for ion transport. The…
The conformation and the phase diagram of a membrane protein are investigated via grand canonical ensemble approach using a homopolymer model. We discuss the nature and pathway of $\alpha$-helix integration into the membrane that results…
The electrostatic Schwinger-Dyson equations are derived and solved for an electrolyte mixture composed of mono- and multivalent ions confined to a negatively charged nanoslit. The closure of these equations is based on an asymmetric…
We present a comprehensive study of cross-flow ultrafiltration (UF) of charge-stabilized suspensions, under low-salinity conditions of electrostatically strongly repelling colloidal particles. The axially varying permeate flux,…
We report on the development of an original mesoscopic lattice model to predict structural, dynamical and capacitive properties of carbon-carbon supercapacitors. The model uses input from molecular simulations, such as free energy profiles…
The subject of this article is a matched microstructure model for Newtonian fluid flows in fractured porous media. This is a homogenized model which takes the form of two coupled parabolic differential equations with boundary conditions in…
We revisit the popular notion of effective or renormalized charge, which is a concept of central importance in the field of highly charged colloidal or polyelectrolyte solutions. Working at the level of a linear Debye-H\"uckel like theory…
A novel thermodynamically consistent diffuse interface model is derived for compressible electrolytes with phase transitions. The fluid mixtures may consist of N constituents with the phases liquid and vapor, where both phases may coexist.…
Ionic liquids constrained at interfaces or restricted in subnanometric pores are increasingly employed in modern technologies, including energy applications. Understanding the details of their behavior in these conditions is therefore…
Selected theoretical developments in modeling of deposition of submicrometer size (submicron) particles on solid surfaces, with and without surface diffusion, of interest in colloid, polymer, and certain biological systems, are surveyed. We…
We study water adsorption-induced deformation of a monolithic, mesoporous silicon membrane traversed by independent channels of $\sim$8 nm diameter. We focus on the elastic constant associated with the Laplace pressure-induced deformation…
Using the volume averaging technique of Jackson (1997), we derive a set of two-fluid equations that describe the dynamics of a mono-disperse non-Brownian colloidal suspension in the semi-dilute regime. The equations are tensorial and can be…