Note: Density functional theory for uniformly charged hard-sphere ions

The density function theory has been proposed for studying the structural properties of electrolytes containing uniformly charged hard-spherical ions. The calculated result shows good agreement with the corresponding Monte Carlo simulation data of Bohinc et al. [J. Chem. Phys. 145, 234901 (2016)]. T...

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Bibliographic Details
Published in:The Journal of chemical physics 2017-07, Vol.147 (3), p.036101-036101
Main Authors: Jang, Seanea, Shin, Ghi Ryang, Kim, Soon-Chul
Format: Article
Language:English
Subjects:
Charge distribution
Computer simulation
Density functional theory
Electrolytes
Monte Carlo simulation
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Summary:The density function theory has been proposed for studying the structural properties of electrolytes containing uniformly charged hard-spherical ions. The calculated result shows good agreement with the corresponding Monte Carlo simulation data of Bohinc et al. [J. Chem. Phys. 145, 234901 (2016)]. The results confirm that the attraction between like-charged planar surfaces is the results of the intra-ionic correlation and depends strongly on the charge distribution of hard-sphere ions.
ISSN:0021-9606
1089-7690
DOI:10.1063/1.4995990