Keywords

membrane, electrostatic potential, electrolyte

Abstract

A simple membrane, supporting charge densities on its inner and outer surfaces, is considered. In addition to the electrostatic potential, the membrane interacts with the surrounding fluid by a short range van der Waals-like potential. The fluid beyond the outer surface is a three-component restricted primitive electrolyte consisting of two cations and one anion. The membrane is impermeable to one of the cations so that the fluid in the membrane and beyond the inner surface is a two-component restricted primitive electrolyte. We use Monte Carlo simulations and density functional theory to study the density profiles of the electrolyte and the charge-electrostatic potential relationship for the membrane surfaces. We also study a membrane consisting of a single charged plane. For both models, the density functional results are in good agreement with the simulations.

Original Publication Citation

D. Boda, D. Henderson, R. Rowley, and S. Sokolowski, “Simulation and density functional study of a simple membrane separating two restricted primitive model electrolytesâ€, J. Chem. Phys.111, 9382 (1999)

Document Type

Peer-Reviewed Article

Publication Date

1999-11-22

Permanent URL

http://hdl.lib.byu.edu/1877/1473

Publisher

AIP

Language

English

College

Ira A. Fulton College of Engineering and Technology

Department

Chemical Engineering

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