Related papers: Modelling Intermediate-Current Transitions in Asym…
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…
Understanding the behavior of biomolecules such as proteins requires understanding the critical influence of the surrounding fluid (solvent) environment--water with mobile salt ions such as sodium. Unfortunately, for many studies, fully…
We develop a model for a driven cell- or artificial membrane in an electrolyte. The system is kept far from equilibrium by the application of a DC electric field or by concentration gradients, which causes ions to flow through specific…
We evaluate the exponentially rare fluctuations of the ionic current for a dilute electrolyte by means of macroscopic fluctuation theory. We consider the fluctuating hydrodynamics of a fluid electrolyte described by a stochastic…
The study of the electrical double layer lies at the heart of colloidal and interfacial science. The standard mean-field Poisson-Boltzmann (PB) theory is incapable of modeling many phenomena originated from ion correlation. An important…
The superfluid to normal fluid transition of dipolar bosons in two dimensions is studied throughout the whole density range using path integral Monte Carlo simulations and summarized in the phase diagram. While at low densities, we find…
The flow of ions through permeable channels causes voltage drop in physiological nanodomains such as synapses, dendrites and dendritic spines, and other protrusions. How the voltage changes around channels in these nanodomains has remained…
A nonlinear phase-field model is developed to simulate corrosion damage. The motion of the electrode$-$ electrolyte interface follows the usual kinetic rate theory for chemical reactions based on the Butler-Volmer equation. The model links…
We study an open system composed of two parallel totally asymmetric simple exclusion processes with particle attachment and detachment in the bulk. The particles are allowed to change their lane from lane-A to lane-B, but not conversely. We…
We present the formalism for consistently transforming transition operators within the in-medium similarity renormalization group framework. We implement the operator transformation in both the equations-of-motion and valence-space…
We present theoretical models for the time-dependent voltage of an electrochemical cell in response to a current step, including effects of diffuse charge (or "space charge") near the electrodes on Faradaic reaction kinetics. The full model…
Mean-field electrostatics is used to calculate the bending moduli of an electric double layer for fixed surface charge density of a macroion in a symmetric 1:1 electrolyte. The resulting expressions for bending stiffness, Gaussian modulus,…
Effects of the adsorption-desorption process on the immittance response of an electrolytic cell are theoretically investigated in the framework of the diffusional Poisson-Nernst-Planck (PNP) continuum model, when the generation and…
In situations involving large potentials or surface charges, the Poisson Boltzman(PB) equation has shortcomings because it neglects ion-ion interactions and steric effects. This has been widely recognized by the electrochemistry community,…
We present the theory and implementation of a Poisson-Boltzmann implicit solvation model for electrolyte solutions. This model can be combined with arbitrary electronic structure methods that provide an accurate charge density of the…
Three analytic results are proposed for a linear form of the modified Poisson-Boltzmann equation in the theory of bulk electrolytes. Comparison is also made with the mean spherical approximation results. The linear theories predict a…
Bounded plasmas are characterized by a rapid but smooth transition from quasi-neutrality in the volume to electron depletion close to the electrodes and chamber walls. The thin non-neutral region, the boundary sheath, comprises only a small…
We present a novel numerical scheme for the efficient and accurate solution of the isothermal two-fluid (electron and ion) equations coupled to Poisson's equation for low-temperature plasmas. The model considers electrons and ions as…
A kinetic model of the electron transfer at the electrode / electrolyte solution interface is developed, implemented in a Monte Carlo framework, and applied to simulate this process in idealised systems consisting of the primitive model of…
The electrical impedance response of Gelatin based solid polymer electrolyte to gamma irradiation is investigated by impedance spectroscopy. An analysis based on Poisson-Nernst-Plank model, incorporating fractional time derivatives is…