Scale-Bridging Thermodynamic and Kinetic Simulation (STKS)
A permeation model for the electrochemical interface
U. Preiss, E. Borukhovich, N. Alemayehu, I. Steinbach, F. LaMantia.
Modelling and Simulation in Materials Science and Engineering, IOP Publishing, 21, 074006, (2013)
We show the transferability of the recently introduced concept of permeation from the context of finite dissipation in simple metallic interfaces to much more complicated electrochemical interfaces. The phenomenological bridge is formed by the exchange current, which can be measured by either impedance spectroscopy or by cyclic voltammetry. In a proof-of-concept phase field model, Nernst–Planck diffusion and transport of charged species in a potential gradient as the solution of the Poisson equation are considered. It is shown that charges build up on the outer electrode surface in a fashion resembling the electrochemical double layer.