Related papers: Screening length for finite-size ions in concentra…
We generalize the concept of charge regulation of ionic solutions, and apply it to complex fluids with mobile macro-ions having internal non-electrostatic degrees of freedom. The suggested framework provides a convenient tool for…
The interaction of charges in dielectric materials is screened by the dielectric constant of the bulk dielectric. In dielectric theories, screening is assigned to the surface charge appearing from preferential orientations of dipoles along…
According to the Schiff theorem the nuclear electric dipole moment (EDM) is screened in neutral atoms. In ions this screening is incomplete. We extend a derivation of the Schiff theorem to ions and molecules. The finite nuclear size effects…
We extend our previous study [J. Chem. Phys. 138, 204907 (2013)] to quantify the screening properties of four mesoscale smoothed charge models used in dissipative particle dynamics. Using a combination of the hypernetted chain integral…
Near-critical binary mixtures containing ionic solutes near a charged wall preferentially adsorbing one component of the solvent are studied. Within the Landau-Ginzburg approach extended to include electrostatic interactions and the…
A density functional theory for a macroion suspension is examined, where the excess free energy corresponds to the macroion self energy arising from the polarisation of the supporting electrolyte solution. This is treated within a…
A numerical study within the framework of the Poisson-Nernst-Planck equations is conducted to investigate electrostatic screening of charged bio-molecules within synthetic pores having diameters of at least 10 Debye lengths. We show that…
Polycrystalline solids can exhibit material properties that differ significantly from those of equivalent single-crystal samples, in part, because of a spontaneous redistribution of mobile point defects into so-called space-charge regions…
Classical theory of the electric double layer is based on the fundamental assumption of a dilute solution of point ions. There are a number of situations such as high applied voltages, high concentration of electrolytes, systems with…
Simulations of the Lebowitz length, $\xi_{\text{L}}(T,\rho)$, are reported for t he restricted primitive model hard-core (diameter $a$) 1:1 electrolyte for densi ties $\rho\lesssim 4\rho_c$ and $T_c \lesssim T \lesssim 40T_c$. Finite-size…
The screened Coulomb interaction between uniformly charged flat plates is considered at very small plate separations for which the Debye layers are strongly overlapped, in the limit of small electrical potentials. If the plates are of…
We address the long standing problem of the dependence of the electrostatic persistence length $l_e$ of a flexible polyelectrolyte (PE) on the screening length $r_s$ of the solution within the linear Debye-Huckel theory. The standard Odijk,…
Molecular dynamics simulations for aqueous sodium chloride solutions were carried out at various concentrations. Supplementary to the Debye-H\"uckel theory, reversible transient nucleation of ions was observed even in dilute solutions. The…
Monte Carlo simulations and variational calculations using a Gaussian ansatz are applied to a model consisting of a flexible linear polyelectrolyte chain as well as to an intrinsically stiff chain with up to 1000 charged monomers. Addition…
Charge regulation is a fundamental mechanism in most chemical, geochemical, and biochemical systems. Various minerals surfaces and proteins are well-known to change their charge state as a function of the activity of the hydronium ions,…
Many types of point singularity have a topological index, or 'charge', associated with them. For example the phase of a complex field depending on two variables can either increase or decrease on making a clockwise circuit around a simple…
This paper builds on two previous works, Lindgren et al. J. Comp. Phys. 371, 712-731 (2018) and Quan et al. arXiv:1807.05384 (2018), to devise a new method to solve the problem of calculating electrostatic interactions in a system composed…
Properties of fully ionized water plasmas are discussed including plasma charge density oscillations and the screening of the Coulomb law especially in the dilute classical Debye regime. A kinetic model with two charged particle scattering…
Understanding the electrical double layer (EDL), i.e, the distribution of electrolyte at an electrified interface, in concentrated electrolytes is important for various technologies, such as supercapacitors, batteries and electrocatalysis.…
We present a derivation of the screening length for a solution containing a charge regulated macroion, e.g. protein, with its counterions. We show that it can be obtained directly from the second derivatives of the total free energy by…