화학공학소재연구정보센터
Journal of Chemical Physics, Vol.104, No.13, 5174-5180, 1996
Simulations at Conducting Interfaces - Boundary-Conditions for Electrodes and Electrolytes
The purpose of this paper is to derive a set of boundary conditions appropriate for simulating a wide variety of electrochemical and biophysical systems which are not necessarily electrically neutral. This is done by using the method of Green’s function, a generalization of the method 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.