I would like to simulate/study electrodeposition/reduction of metal cations from an electrolyte solution onto an electrode surface. Does anyone know of a method to do this? The main challenge it seems to us is to maintain charge neutrality of the system when reducing a cation to an elemental particle. How do we compensate for the loss of positive charge in the system?
Is it necessary to employ ReaxFF to do such a simulation or is it possible without?
Any help, ideas and suggestions are greatly appreciated.