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Journal article

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

From

Department of Chemistry (IK), Technical University of Denmark1

Technical University of Denmark2

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.

Language: English
Publisher: American Institute of Physics
Year: 1992
Pages: 548-554
ISSN: 10897690 and 00219606
Types: Journal article
DOI: 10.1063/1.462492

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