DOI: 10.1063/1.456638. Molecular solvent model for an electrical double layer: Reference hypernetted chain results for potassium chloride solutions

Molecular solvent model for an electrical double layer: Reference hypernetted chain results for potassium chloride solutions

10.1063/1.456638

Crossref journal-article

AIP Publishing

The Journal of Chemical Physics (317)

Abstract

The reference hypernetted-chain theory is solved for the structure of the double layer at the surface of large spherical macroions in a wholly molecular model of aqueous KCl. Detailed results are reported for the solvent and ionic structure throughout the double layer for surface charges up to 0.175 C m−2 and salt concentrations of 0.1 to 1.0 M. Concentration effects on the short-range structural features of the interface are discussed and related to the behavior of the same model at infinite dilution. There is a very rapid neutralization of the surface charge by a Coulombic adsorption of counterions into a narrow region near contact beyond which the system responds as though to a much lower effective surface charge. The relationship of these results to the properties of continuum solvent models and the implications for the electrostatic potential and differential capacitance of the double layer are discussed.

Bibliography

Torrie, G. M., Kusalik, P. G., & Patey, G. N. (1989). Molecular solvent model for an electrical double layer: Reference hypernetted chain results for potassium chloride solutions. The Journal of Chemical Physics, 90(8), 4513â4527.

Authors 3

G. M. Torrie (first)
P. G. Kusalik (additional)
G. N. Patey (additional)

References 20 Referenced 46

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10.1063/1.438997 / J. Chem. Phys. (1980)
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Dates

Type	When
Created	23 years, 1 month ago (July 26, 2002, 9:10 a.m.)
Deposited	1 year, 6 months ago (Feb. 10, 2024, 4:39 a.m.)
Indexed	1 year, 6 months ago (Feb. 10, 2024, 4 p.m.)
Issued	36 years, 4 months ago (April 15, 1989)
Published	36 years, 4 months ago (April 15, 1989)
Published Print	36 years, 4 months ago (April 15, 1989)

Funders 0

None

BibTeX

@article{Torrie_1989, title={Molecular solvent model for an electrical double layer: Reference hypernetted chain results for potassium chloride solutions}, volume={90}, ISSN={1089-7690}, url={http://dx.doi.org/10.1063/1.456638}, DOI={10.1063/1.456638}, number={8}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Torrie, G. M. and Kusalik, P. G. and Patey, G. N.}, year={1989}, month=apr, pages={4513–4527} }

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