ﻻ يوجد ملخص باللغة العربية
The structure of dilute electrolyte solutions close to a surface carrying a spatially inhomogeneous surface charge distribution is investigated by means of classical density functional theory (DFT) within the approach of fundamental measure theory (FMT). For electrolyte solutions the influence of these inhomogeneities is particularly strong because the corresponding characteristic length scale is the Debye length, which is large compared to molecular sizes. Here a fully three-dimensional investigation is performed, which accounts explicitly for the solvent particles, and thus provides insight into effects caused by ion-solvent coupling. The present study introduces a versatile framework to analyze a broad range of types of surface charge heterogeneities even beyond the linear response regime. This reveals a sensitive dependence of the number density profiles of the fluid components and of the electrostatic potential on the magnitude of the charge as well as on details of the surface charge patterns at small scales.
Electrical conductivity is an inherent property of a hydrophobic porous media (HPM) and has critical applications. This research aims to provide a solution for predicting the electrical conductivity of nanoscale HPM with heterogeneous pore structure.
We characterize the dynamics of a $z-z$ electrolyte embedded in a varying-section channel. In the linear response regime, by means of suitable approximations, we derive the Onsager matrix associated to externally enforced gradients in electrostatic p
We carry out the calculation of the surface tension for a model electrolyte to first order in a cumulant expansion about a free field theory equivalent to the Debye-Huckel approximation. In contrast with previous calculations, the surface tension is
In this work we investigate the use of nanoporous carrier as drug delivery systems for hydrophobic molecules. By studying a model system made of porous silicon loaded with beta-carotene, we unveil a fundamental limitation of these carriers that is du
The complexity of the interactions between the constituent granular and liquid phases of a suspension requires an adequate treatment of the constituents themselves. A promising way for numerical simulations of such systems is given by hybrid computat