Use of dynamically adaptive grid techniques for the solution of electrochemical kinetic equations. Advantage of time step adaptation, using example of current spikes in linear potential sweep voltammograms for the E_(qrev)E_(qrev)-DISP reaction mecha

摘要

Electrochemical kinetic transients may exhibit brief, but rapid temporal variations, the location of which along the time axis, and duration, are difficult or impossible to predict. For example, very narrow current spikes may occur on linear potential sweep voltammograms for the E_(qrev)E_(qrev)-DISP reaction mechanism. Traditional fixed time grids require a dense grid spacing over large time intervals in such cases, which renders digital simulations computationally expensive. In contrast, the adaptive time step selection, included into the previously described finite-difference patch-adaptive strategy (PAS), enables a detailed temporal resolution of the current spikes, simultaneously with an efficient simulation of large-scale temporal variations. Using this technique, the phenomenon of the current spikes in investigated.