DOI: 10.1063/1.448350. Inhomogeneous Coulomb fluids with image interactions between planar surfaces. I

Inhomogeneous Coulomb fluids with image interactions between planar surfaces. I

10.1063/1.448350

Crossref journal-article

AIP Publishing

The Journal of Chemical Physics (317)

Abstract

Description of Coulomb particles near a surface is complicated by the effect of the surface on the ion–ion correlations, the electrostatic images (if the surface is a dielectric boundary), and the long range of the correlations in the lateral direction. We formulate the problem of the ion distribution for inhomogeneous Coulomb fluids with an arbitrary core potential and confined between two planar surfaces, with which the particles can interect via any short-ranged potential. All orders of image interactions are included into an effective position-dependent pair potential. The problem is solved by mapping the inhomogeneus three-dimensional system into a homogeneous two-dimensional one. The system is subdivided into M layers, and then shown to be isomorphic to an M-component fluid mixture in two dimensions. The mapping becomes exact as the number of layers (‘‘components’’) M→∞, and is accordingly an excellent approximation for finite, but large M. The correlations and other statistical mechanical functions can now be obtained with any conventional closure scheme. This forms the basis for a numerical method to solve the complete integral equations for the one- and two-particle distribution functions, using, e.g., the hypernetted chain (HNC) closure for the inhomogeneous pair correlations as the sole approximation. The associated numerical procedures are briefly described. The method could also be applied to study various problems for solute particles interacting via other pair potentials.

Bibliography

Kjellander, R., & MarÄelja, S. (1985). Inhomogeneous Coulomb fluids with image interactions between planar surfaces. I. The Journal of Chemical Physics, 82(4), 2122â2135.

Authors 2

Roland Kjellander (first)
Stjepan Marčelja (additional)

References 30 Referenced 223

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Dates

Type	When
Created	23 years ago (July 26, 2002, 9 a.m.)
Deposited	1 year, 6 months ago (Feb. 9, 2024, 10 p.m.)
Indexed	4 months, 2 weeks ago (April 3, 2025, 9:47 p.m.)
Issued	40 years, 6 months ago (Feb. 15, 1985)
Published	40 years, 6 months ago (Feb. 15, 1985)
Published Print	40 years, 6 months ago (Feb. 15, 1985)

Funders 0

None

BibTeX

@article{Kjellander_1985, title={Inhomogeneous Coulomb fluids with image interactions between planar surfaces. I}, volume={82}, ISSN={1089-7690}, url={http://dx.doi.org/10.1063/1.448350}, DOI={10.1063/1.448350}, number={4}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Kjellander, Roland and Marčelja, Stjepan}, year={1985}, month=feb, pages={2122–2135} }

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