An algorithm for simulation of electrochemical systems with surface–bulk coupling strategies

In Buoni and Petzold (2007) [13] we described a new algorithm for simulation of electrochemical systems on two-dimensional irregular, time-dependent domains. Here we show how to extend the algorithm to three dimensions. We demonstrate our three-dimensional algorithm by simulating copper electrodeposition into a via structure. This problem poses challenges for the coupling of the dilute electrolyte (bulk) model to the surface dynamics model, which involves a complex network of reactions. To handle this coupling, we introduce a new and highly effective semi-implicit method.