Simulations at conducting interfaces

Boundary conditions for electrodes and electrolytes

J. W. Perram, Mark A Ratner

Research output: Contribution to journalArticle

13 Citations (Scopus)

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
Pages (from-to)5174-5180
Number of pages7
JournalJournal of Chemical Physics
Volume104
Issue number13
Publication statusPublished - 1996

Fingerprint

Electrolytes
Boundary conditions
electrolytes
Ions
boundary conditions
conduction
Electrodes
electrodes
Poisson equation
Green's function
ions
Green's functions
simulation
Metals
membranes
Membranes
metals

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics

Cite this

Simulations at conducting interfaces : Boundary conditions for electrodes and electrolytes. / Perram, J. W.; Ratner, Mark A.

In: Journal of Chemical Physics, Vol. 104, No. 13, 1996, p. 5174-5180.

Research output: Contribution to journalArticle

@article{98694d16d83f430198b178a3a9f66789,
title = "Simulations at conducting interfaces: Boundary conditions for electrodes and electrolytes",
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.",
author = "Perram, {J. W.} and Ratner, {Mark A}",
year = "1996",
language = "English",
volume = "104",
pages = "5174--5180",
journal = "Journal of Chemical Physics",
issn = "0021-9606",
publisher = "American Institute of Physics Publising LLC",
number = "13",

}

TY - JOUR

T1 - Simulations at conducting interfaces

T2 - Boundary conditions for electrodes and electrolytes

AU - Perram, J. W.

AU - Ratner, Mark A

PY - 1996

Y1 - 1996

N2 - 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.

AB - 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.

UR - http://www.scopus.com/inward/record.url?scp=0038678596&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=0038678596&partnerID=8YFLogxK

M3 - Article

VL - 104

SP - 5174

EP - 5180

JO - Journal of Chemical Physics

JF - Journal of Chemical Physics

SN - 0021-9606

IS - 13

ER -