Simulations at conducting interfaces: Boundary conditions for electrodes and electrolytes

J. W. Perram*, Mark A. Ratner

*Corresponding author for this work

Research output: Contribution to journalArticle

15 Scopus citations

Abstract

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 reactions involving ions confined between metal electrodes as well as ions in membranes enclosed between regions of aqueous electrolytes.

Original languageEnglish (US)
Pages (from-to)5174-5180
Number of pages7
JournalJournal of Chemical Physics
Volume104
Issue number13
DOIs
StatePublished - Jan 1 1996

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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