Related papers: A Compact Electrochemical Model for a Conducting P…
Solid state impedance spectroscopy enables the various contributions to the resistive and capacitive properties of electronically inhomogeneous condensed matter to be deconvoluted and characterized separately. The different contributions…
Constant potential methods (CPM) enable computationally efficient simulations of the solid-liquid interface at conducting electrodes in molecular dynamics (MD). They have been successfully used, for example, to realistically model the…
Electrochemical capacitors are a class of energy devices in which complex mechanisms of accumulation and dissipation of electric energy take place when connected to a charging or discharging power system. Reliably modeling their…
A method of electronic conductivity measurement is presented. It combines two well known methods of electrochemistry: cyclic voltammetry and chronoamperometry. This DC technique uses the Hebb/Wagner approach to block ionic conduction when…
A diffuse interface (phase field) model for an electrochemical system is developed. We describe the minimal set of components needed to model an electrochemical interface and present a variational derivation of the governing equations. With…
In this article, we derive and discuss a physics-based model for impedance spectroscopy of lithium batteries. Our model for electrochemical cells with planar electrodes takes into account the solid-electrolyte interphase (SEI) as porous…
Understanding the electrodes' surface morphology influence on the ions' distribution is essential for designing the supercapacitors with enhanced energy density characteristics. We develop a model for the structure of electrolytes near the…
Effective water management is essential for the optimal performance of PEM fuel cells. We have developed an impedance model for liquid water transport through the membrane and coupled it with the two-phase model for cathode side impedance.…
Modelling the ionic transport in battery cells requires precise parametrization of the involved electrolytes. For carbonate-based electrolytes, however, the evaluation of their parameters suffers from interphase effects between the bulk…
IPMCs consist of a Nafion(R) ionic polymer film coated on both sides with a thin layer of metallic electrodes. The polymer completely dissociates when it is saturated with water, releasing small cations while anions remain bound to the…
A qualitative model describing the "anomalous" features of the conductivity of polymer nanocomposites, in particular, switching to the conducting state in relatively thick (tens of microns or more) of flexible PVC films is considered. In…
Continuum electrolyte models represent a practical tool to account for the presence of the diffuse layer at electrochemical interfaces. However, despite the increasing popularity of these in the field of materials science it remains unclear…
The results of experimental researches of electroconductivity of PVC films, plasticized by patented modifier, at fields below the breakdown level are described. A possibility of management of the repeated transitions between two states with…
Ring polymer molecular dynamics (RPMD) is used to directly simulate the dynamics of an excess electron in a supercritical fluid over a broad range of densities. The accuracy of the RPMD model is tested against numerically exact path…
A research of inductive conductometric cell is presented. An equivalent circuit and a mathematical model of inductive cell are given in the article. The model takes into account sample-coil capacity (i.e. capacity formed by the coil and the…
A new variational method for studying the equilibrium states of an interacting particles system has been proposed. The statistical description of the system is realized by means of a density matrix. This method is used for description of…
A better understanding of interfacial mechanisms is needed to improve the performances of electrochemical devices. Yet, simulating an electrode surface at fixed electrolyte composition remains a challenge. Here we apply a finite electric…
We study the differences in electrical charge transport dynamics of the conductivity enhancement of poly(3,4-ethylenedioxythiophene) (PEDOT) derivatives under geometrical confinement. The results of polymer blend poly(3,4-ethylene…
The article presents results of discrete thermodynamics (DTD) basic application to electrochemical systems. Consistent treatment of the electrochemical system as comprising two interacting subsystems - the chemical and the electrical…
We propose a framework to study the spatio-temporal evolution of liquid-liquid phase separation of weak polyelectrolytes in ionic solutions. Unlike strong polyelectrolytes, which carry a fixed charge, the charge state of weak…