Phys. Rev. E 69, 051401 (2004) - Screening of spherical colloids beyond mean field: A local density functional approach

Screening of spherical colloids beyond mean field: A local density functional approach

Marcia C. Barbosa, Markus Deserno, Christian Holm, and René Messina

Phys. Rev. E 69, 051401 – Published 25 May 2004

Abstract

We study the counterion distribution around a spherical macroion and its osmotic pressure in the framework of the recently developed Debye-Hückel-hole-cavity (DHHC) theory. This is a local density functional approach which incorporates correlations into Poisson-Boltzmann theory by adding a free energy correction based on the one-component plasma. We compare the predictions for ion distribution and osmotic pressure obtained by the full theory and by its zero temperature limit with Monte Carlo simulations. They agree excellently for weakly developed correlations and give the correct trend for stronger ones. In all investigated cases the DHHC theory and its computationally simpler zero temperature limit yield better results than the Poisson-Boltzmann theory.

Received 18 December 2003

DOI:https://doi.org/10.1103/PhysRevE.69.051401

©2004 American Physical Society

Authors & Affiliations

Marcia C. Barbosa^*

Instituto de Física, UFRGS, 91501-970 Porto Alegre, Rio Grande do Sul, Brazil

Markus Deserno^† and Christian Holm^‡

Max-Planck-Institut für Polymerforschung, Ackermannweg 10, 55128 Mainz, Germany

René Messina^§

Institut für Theoretische Physik II, Heinrich-Heine-Universität Düsseldorf, Universitätsstraße 1, D-40225 Düsseldorf, Germany

^*Electronic address: barbosa@if.ufrgs.br
^†Electronic address: deserno@mpip-mainz.mpg.de
^‡Electronic address: holm@mpip-mainz.mpg.de
^§Electronic address: messina@thphy.uni-duesseldorf.de

Article Text (Subscription Required)

Click to Expand

References (Subscription Required)

Click to Expand

Issue

Vol. 69, Iss. 5 — May 2004

Reuse & Permissions

Access Options

Author publication services for translation and copyediting assistance advertisement

Sign up to receive regular email alerts from Physical Review E