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

J Chem Phys. 2011 Dec 14;135(22):224508. doi: 10.1063/1.3665450.

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.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Cells*
  • Electric Impedance
  • Models, Biological*
  • Monte Carlo Method*
  • Solutions
  • Static Electricity

Substances

  • Solutions