membrane, electrostatic potential, electrolyte
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, â€œSimulation and density functional study of a simple membrane separating two restricted primitive model electrolytesâ€, J. Chem. Phys.111, 9382 (1999)
BYU ScholarsArchive Citation
Rowley, Richard L.; Boda, Dezso; Henderson, Douglas; and Sokolowski, Stefan, "Simulation and density functional study of a simple membrane separating two restricted primitive model electrolytes" (1999). Faculty Publications. 608.
Ira A. Fulton College of Engineering and Technology
© 1999 American Institute of Physics. This article may be downloaded for personal use only. Any other use requires prior permission of the author and the American Institute of Physics. The following article appeared in The Journal of Chemical Physics and may be found at http://link.aip.org/link/?JCPSA6/118/5474/1
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