Related papers: Kinetics of Ion Transport in Ionic Liquids: Two Dy…
In this paper we have investigated via experimental and simulations techniques the transport properties, in terms of total ionic conductivity and ion diffusion coefficients, of ionic liquids and lithium salt mixtures composed of two anions,…
We report experimental data of the mobility of O\(_2^-\) ions in argon gas as a function of the density in the temperature range between \(180\,\mbox{K}\le T\le 300\,\mbox{K}\). At the intermediate, though fairly large, densities of the…
Lithium-ion transport is significantly retarded in ionic liquids (ILs). In this work, we performed extensive molecular dynamics (MD) simulations to mimic the kinetics of lithium ions in ILs using [\emph{N}-methyl-\emph{N}-propylpyrrolidium…
We report data of the O2- ion mobility in neon gas over broad density and temperature ranges along with its theoretical description in terms of the thermodynamic, free volume model that has successfully been adopted for the interpretation…
Atom-in-jellium calculations of the Einstein frequency were used to calculate the mean displacement of an ion over a wide range of compression and temperature. Expressed as a fraction of the Wigner-Seitz radius, the displacement is a…
We present a hydrodynamic theory describing pair diffusion in systems with periodic boundary conditions, thereby generalizing earlier work on self-diffusion [D\"unweg and Kremer, J. Chem. Phys. 1993, 99, 6983-6997; Yeh and Hummer, J. Phys.…
We investigate the dynamics of an ion moving through a homogeneous Bose-Einstein condensate (BEC) after an initial momentum is imparted. For this, we derive a master equation in the weak-coupling limit and Lamb-Dicke approximation for the…
An important question in understanding the structure of ionic liquids is whether ions are truly "free" and mobile which would correspond to a concentrated ionic melt, or are rather "bound" in ion pairs, that is a liquid of ion pairs with a…
We report the results of the experiment aimed at measuring the mobility of O2- ions in dense argon gas in the temperature range 180 K < T < 300 K. We show that an adequate theoretical description of the data is obtained by using the…
Understanding ion-transport under molecular confinement is essential for developing next-generation energy technologies, where ionic motion often occurs within nanoscale or angstrom-scale channels. In this study, we use the model system of…
Ionic conductors have great potential for interesting tunable physical properties via ionic liquid gating and novel energy storage applications such as all-solid-state lithium batteries. In particular, low migration barriers and high…
Using a nonperturbative classical model for ionic motion through one-dimensional (1D) solids, we explore how thermal lattice vibrations affect ionic transport properties. Based on analytic and numerical calculations, we find that the mean…
We present a systematic characterization of the fractal conduction pathways governing ionic transport in a non-crystalline solid below the glass-transition temperature. Using classical molecular dynamics simulations of lithium metasilicate,…
Drag and diffusion of mobile ions in solids are of interest for both purely theoretical and applied scientific communities. This article proposes a theoretical description of ion drag in solids that can be used to estimate ionic…
The immersion of a single ion confined by a radiofrequency trap in an ultracold atomic gas extends the concept of buffer gas cooling to a new temperature regime. The steady state energy distribution of the ion is determined by its kinetics…
Kinetic equations for the stationary state distribution function of ions moving through narrow pores are solved for a number of one-dimensional models of single ion transport. Ions move through pores of length $L$, under the action of a…
We investigate the possible frictionless transport of many composite (condensed) fermions at room temperature regime along an annular tube with transversely wavy-corrugations by using the verified transition-rate model and boundary…
The nature of mobility of ions and water molecules in dilute aqueous solutions of electrolytes (at most fifteen water molecules per ion) is investigated. It is shown that the behavior of the mobility coefficients of water molecules and…
A discrete rate theory for general multi-ion channels is presented, in which the continuous dynamics of ion diffusion is reduced to transitions between Markovian discrete states. In an open channel, the ion permeation process involves three…
Lithium chloride LiCl is widely used as a prototype system to study the strongly dissociated 1-1 electrolyte solution. Here, we combined experimental measurements and classical molecular dynamics simulations to study the ion conduction in…