Macroion solutions in the cell model studied by field theory and Monte Carlo simulations.

Research output: Contribution to journalArticle

Abstract

Aqueous solutions of charged spherical macroions with variable dielectric permittivity and their associated counterions are examined within the cell model using a field theory and Monte Carlo simulations. The field theory is based on separation of fields into short- and long-wavelength terms, which are subjected to different statistical-mechanical treatments. The simulations were performed by using a new, accurate, and fast algorithm for numerical evaluation of the electrostatic polarization interaction. The field theory provides counterion distributions outside a macroion in good agreement with the simulation results over the full range from weak to strong electrostatic coupling. A low-dielectric macroion leads to a displacement of the counterions away from the macroion.

Details

Authors
  • Leo Lue
  • Per Linse
Organisations
Research areas and keywords

Subject classification (UKÄ) – MANDATORY

  • Physical Chemistry
Original languageEnglish
Article number224508
JournalJournal of Chemical Physics
Volume135
Issue number22
Publication statusPublished - 2011
Publication categoryResearch
Peer-reviewedYes