Hostname: page-component-745bb68f8f-mzp66 Total loading time: 0 Render date: 2025-02-04T16:53:55.535Z Has data issue: false hasContentIssue false
  • English
  • Français

Density Functional Theory of Interactions Between Charged Macroions in Solution

Published online by Cambridge University Press:  21 February 2011

Mark J. Stevens  and
Mark O. Robbins
Mark J. Stevens
Affiliation:
Department of Physics and Astronomy, Johns Hopkins University, Baltimore, MD 21218
Mark O. Robbins
Affiliation:
Department of Physics and Astronomy, Johns Hopkins University, Baltimore, MD 21218 Institute for Theoretical Physics, University of California, Santa Barbara, CA 93106
Get access

Abstract

We apply density functional theory to the screened interactions between macroions in solution. The approach incorporates the strong correlations between screening ions at high densities, and reduces to the Poisson-Boltzmann equations at low densities. Local density functional theory results for the interactions between parallel planes are within ˜ 1% of Monte Carlo (MC) and inhomogeneous hypernetted chain (IHNC) values when the plane separation L ≥ 50Å. Non-local effects are important for divalent ions at small separations and high surface charge densities. A simple weighted density approximation qualitatively reproduces MC and IHNC results in this regime, and provides a simple explanation for the onset of attractive interactions between like-charged plates.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 177: Symposium V – Macromolecular Liquids , 1989 , 237
Copyright
Copyright © Materials Research Society 1990

Access options

Get access to the full version of this content by using one of the access options below. (Log in options will check for institutional or personal access. Content may require purchase if you do not have access.)

References

REFERENCES

[1] Bockris, J. and Reddy, A., Modern Electro-chemistry, (Plenum Press, New York, 1970).Google Scholar
[2] Hunter, R., Foundations of Colloid Science, (Clarendon Press, New York, 1987).Google Scholar
[3] Ise, N., Angew. Chem. 25, 323 (1986).Google Scholar
[4] Israelachvili, J. and Christenson, H., Physica 140A, 278 (1986).Google Scholar
[5] Gulbrand, L., Jönsson, B., Wennerström, H. and Linse, P., J. Chem. Phys. 80, 2221 (1984).Google Scholar
[6] Kjellander, R. and Marčelja, S., Chem. Phys. Lett. 112, 49, (1984); J. Chem. Phys. 81, 2122 (1985), and private communication.Google Scholar
[7] Curtin, W.A. and Ashcroft, N.W., Phys. Rev. A32, 2909, (1985). A.R. Denton and N.W. Ashcroft, Phys. Rev. 39, 4701 (1989).Google Scholar
[8] Baus, M., J. Stat. Phys. 48, 1129 (1987).Google Scholar
[9] Jones, R.O. and Gunnarsson, O., Rev. Mod. Phys., 61, 689 (1989).Google Scholar
[10] Mermin, N.D., Phys. Rev. 137, A1441 (1965).Google Scholar
[11] Baus, M. and Hansen, J-P., Phys. Rep. 59, 1 (1980).Google Scholar
[12] Brami, B., Hansen, J.P. and Joly, F., Physica 95A, 505 (1979).Google Scholar
[13] Hansen, J.-P., Phys. Rev. A8, 3110 (1973).Google Scholar
[14] Attard, P., Kjellander, R., Mitchell, D.J., and Jonsson, B., J. Chem. Phys. 89, 1664 (1988).Google Scholar