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

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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.

Detaljer

Författare
  • Leo Lue
  • Per Linse
Enheter & grupper
Forskningsområden

Ämnesklassifikation (UKÄ) – OBLIGATORISK

  • Fysikalisk kemi
Originalspråkengelska
Artikelnummer224508
TidskriftJournal of Chemical Physics
Volym135
Utgivningsnummer22
StatusPublished - 2011
PublikationskategoriForskning
Peer review utfördJa