A new strategy for simulation of electrochemical mechanisms involving acute reaction fronts in solution: Principle

The main issue in classical simulations of electrochemical reactions concerns the correct description of concentration profiles when their gradients experience abrupt variations over a narrow space range (kinetic layers). Exponentially expanding grids are particularly useful under these conditions when the kinetic layers are adjacent to the electrode surface. Here we show that a new computing strategy can be devised to automatically adapt to this difficulty and solve this problem even when the kinetic layer position propagates within the solution at an a priori unknown speed as it does in EE mechanisms. (C) 2010 Elsevier B.V. All rights reserved.