SIMULATIONS AT CONDUCTING INTERFACES - BOUNDARY-CONDITIONS FOR ELECTRODES AND ELECTROLYTES

The purpose of this paper is to derive a set of boundary conditions ap propriate for simulating a wide variety of electrochemical and biophys ical systems which are not necessarily electrically neutral. This is d one by using the method of Green's function, a generalization of the m ethod of images, for solving the Poisson equation to provide boundary conditions for simulating electrochemical metal electrodes as well as ions in membranes regions of aqueous electrolytes. (C) 1996 American I nstitute of Physics.