Hard, charged spheres in spherical pores. Grand canonical ensemble Monte Carlo calculations

Peter Sloth; T. S. Sørensen

doi:10.1063/1.462492

Hard, charged spheres in spherical pores. Grand canonical ensemble Monte Carlo calculations

Peter Sloth, T. S. Sørensen

Technical University of Denmark

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Abstract

A model consisting of hard charged spheres inside hard spherical pores is investigated by grand canonical ensemble Monte Carlo calculations. It is found that the mean ionic density profiles in the pores are almost the same when the wall of the pore is moderately charged as when it is uncharged. Also, a bulklike phase is found to be present at the center of the pores in surprisingly small systems. Finally, the Poisson–Boltzman approximation is discussed in the light of our Monte Carlo results. The Journal of Chemical Physics is copyrighted by The American Institute of Physics.

Original language	English
Journal	Journal of Chemical Physics
Volume	96
Issue number	1
Pages (from-to)	548-554
ISSN	0021-9606
DOIs	https://doi.org/10.1063/1.462492
Publication status	Published - 1992

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Copyright (1992) 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

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AB - A model consisting of hard charged spheres inside hard spherical pores is investigated by grand canonical ensemble Monte Carlo calculations. It is found that the mean ionic density profiles in the pores are almost the same when the wall of the pore is moderately charged as when it is uncharged. Also, a bulklike phase is found to be present at the center of the pores in surprisingly small systems. Finally, the Poisson–Boltzman approximation is discussed in the light of our Monte Carlo results. The Journal of Chemical Physics is copyrighted by The American Institute of Physics.

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Hard, charged spheres in spherical pores. Grand canonical ensemble Monte Carlo calculations

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