Related papers: Iso-electric point of fluid
Introduced and investigated new kind of percolation problem - so called internal percolation problem (IP). In usual percolation problem current flows from top to bottom of the system and here it can be called as external percolation problem…
The interface between the vapor and liquid phase of quadrupolar-dipolar fluids is the seat of an electric interfacial potential whose influence on ion solvation and distribution is not yet fully understood. To obtain further microscopic…
Capacitive deionization (CDI) is a technology in which water is desalinated by ion electrosorption into the electric double layers (EDLs) of charging porous electrodes. In recent years significant advances have been made in modeling the…
In this paper we investigate the possibility to detect the hypothesized liquid-liquid critical point of water in supercooled aqueous solutions of salts. Molecular dynamics computer simulations are conducted on bulk TIP4P water and on an…
An electric field applied to a droplet impinging on a hydrophobic surface has an extensive variety of applications, including ant-icing, heat transfer enhancement, self-cleaning, droplet manipulation, and electrostatic spraying. The present…
We investigate the solvation of methane and methane decorated with charges in spherically confined water droplets. Free energy profiles for a single methane molecule in droplets, ranging in diameter D, from 1 to 4 nm, show that the droplet…
Many model potential energy surfaces (PESs) have been reported for water; however, none are strictly from "first principles". Here we report such a potential, based on a many-body representation at the CCSD(T) level of theory up to the…
Ionization of polar liquids and glasses often yields metastable electron centers collectively known as weakly bound (wb) electrons that absorb to the red of the ground state of the solvated/trapped electron. Formation of these species is…
Water desalination by capacitive deionization (CDI) is performed via electrochemical cells consisting of two porous carbon electrodes. Upon transferring charge from one electrode to the other, ions are removed from the feedwater by…
Hydrogen adsorption on delta-Pu (100) and (111) surfaces using the generalized gradient approximation of the density functional theory with Perdew and Wang functionals have been studied at both the spin-polarized level and the…
Previous research has indicated the possible existence of a liquid-liquid critical point (LLCP) in models of silica at high pressure. To clarify this interesting question we run extended molecular dynamics simulations of two different…
We use Monte Carlo simulations to examine the simplest model of an ionic liquid, called the restricted primitive model, at a metal surface. We find that at moderately low temperatures the capacitance of the metal/ionic liquid interface is…
The ion distribution of electrolytes near interfaces with dielectric contrast has important consequences for electrochemical processes and many other applications. To date, most studies of such systems have focused on geometrically simple…
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…
We demonstrate loading of ions into a surface-electrode trap (SET) from a remote, laser-cooled source of neutral atoms. We first cool and load $\sim$ $10^6$ neutral $^{88}$Sr atoms into a magneto-optical trap from an oven that has no line…
Atomically thin semiconductor heterostructures provide a two-dimensional (2D) device platform for creating high densities of cold, controllable excitons. Interlayer excitons (IEs), bound electrons and holes localized to separate 2D quantum…
We develop and verify a phase-sensitive second harmonic generation spectroscopic scheme that allows for direct determination of the absolute surface charge density and surface potential of a water interface without need of prior interfacial…
Isothermal compressibility ($\kappa_{\rm T}$) is an important thermodynamic observable which gives information about the deviation of a system from perfect fluid behavior. In this work, for the first time we have estimated the isothermal…
Synchrotron-X-ray and surface tension studies of a strong polyelectrolyte (PE) in the semi-dilute regime (~ 0.1M monomer-charges) with varying surfactant concentrations show that minute surfactant concentrations induce the formation of a…
We consider the dynamics of a compressible fluid under the influence of electrostrictive ponderomotive forces in strong inhomogeneous nonstationary electric fields. It is shown that if the fronts of the voltage rise at a sharp, needle-like…