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

Leo Lue, Per Linse

Research output: Contribution to journalArticlepeer-review

22 Citations (Scopus)
83 Downloads (Pure)

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. 

Original languageEnglish
Article number224508
Number of pages10
JournalJournal of Chemical Physics
Volume135
Issue number22
DOIs
Publication statusPublished - 14 Dec 2011

Keywords

  • electric double layer
  • spherical double layer
  • Poisson-Boltzmann
  • electrolyte solution
  • charged colloids
  • image charges
  • ions
  • potentials

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