Related papers: Similarity law and critical properties in ionic sy…
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.…
A parameterization strategy for molecular models on the basis of force fields is proposed, which allows a rapid development of models for small molecules by using results from quantum mechanical (QM) ab initio calculations and thermodynamic…
Monte Carlo simulations are presented for a coarse-grained model of real quadrupolar fluids. Molecules are represented by particles interacting with Lennard-Jones forces plus the thermally averaged quadrupole-quadrupole interaction. The…
Ionic microgels are soft colloidal particles, composed of crosslinked polymer networks, that ionize and swell when dispersed in a good solvent. Swelling of these permeable, compressible particles involves a balance of electrostatic,…
We study the ionic distribution near a charged surface. A new method for performing Monte Carlo simulations in this geometry is discussed. A theory is then presented that allows us to accurately reproduce the density profiles obtained in…
The departure of a granular gas in the instable region of parameters from the initial homogeneous cooling state is studied. Results from Molecular Dynamics and from Direct Monte Carlo simulation of the Boltzmann equation are compared. It is…
A Bose gas in an external potential is studied by means of the local density approximation. Analytical results are derived for the thermodynamic properties of an ideal Bose gas in a generic power-law trapping potential, and their dependence…
Inferring properties of macroscopic solutions from molecular simulations is complicated by the limited size of systems that can be feasibly examined with a computer. When long-ranged electrostatic interactions are involved, the resulting…
The gas-liquid phase transition of the three-dimensional Lennard-Jones particles system is studied by molecular dynamics simulations. The gas and liquid densities in the coexisting state are determined with high accuracy. The critical point…
The negative ion density and temperature are the two fundamental parameters that are necessary to quantify the properties of electronegative discharges. However, determining these parameters by means of electrostatic probes can be quite…
The aim of this paper is to study a system of three equations for ionized gas dynamics at high temperature, in one spatial dimension. In addition to the mass density, pressure and particle velocity, a further quantity is needed, namely, the…
Recently we have proposed (J. Chem. Phys. 128 (2008) 134508) a new rescaling of fluid density $\rho $ by its critical value $\rho_c^{2/3}$ to apply the corresponding states law for the attractive Yukawa fluids study. Analysis of precise…
The main goal of this work is to examine the qualitative effect of ion sizes via a steady-state boundary value problem. We study a one-dimensional version of a Poisson-Nernst-Planck system with a local hard-sphere potential model for ionic…
Ion parallel closures are obtained for arbitrary atomic weights and charge numbers. For arbitrary collisionality, the heat flow and viscosity are expressed as kernel-weighted integrals of the temperature and flow-velocity gradients. Simple,…
Particle-particle correlation functions in ionic systems control many of their macroscopic properties. In this work, we use stochastic density functional theory to compute these correlations, and then we analyze their long-range behavior.…
We implement molecular dynamics simulations in canonical ensemble to study the effect of confinement on a $2d$ crystal of point particles interacting with an inverse power law potential proportional to $r^{-12}$ in a narrow channel. This…
The inhomogeneous cooling state describing the hydrodynamic behavior of a freely evolving granular gas strongly confined between two parallel plates is studied, using a Boltzmann kinetic equation derived recently. By extending the idea of…
When the electron density of highly crystalline thin films is tuned by chemical doping or ionic liq- uid gating, interesting effects appear including unconventional superconductivity, sizeable spin-orbit coupling, competition with…
It is demonstrated that properly reduced transport coefficients (self-diffusion, shear viscosity, and thermal conductivity) of Lennard-Jones fluids along isotherms exhibit quasi-universal scaling on the density divided by its value at the…
Cold ions in anisotropic harmonic potentials can form ion chains of various sizes. Here, the density of ions is not uniform, thus the eigenmodes are not phononic-like waves. We study chains of N>>1 ions and evaluate analytically the long…