Lue, Leo and Linse, Per (2011) Macroion solutions in the cell model studied by field theory and Monte Carlo simulations. Journal of Chemical Physics, 135 (22). -. ISSN 0021-9606
Full text not available in this repository. (Request a copy from the Strathclyde author)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.
| Item type: | Article |
|---|---|
| ID code: | 37168 |
| Keywords: | electric double layer, spherical double layer, Poisson-Boltzmann, electrolyte solution, charged colloids, image charges, ions, potentials, Chemical engineering |
| Subjects: | Technology > Chemical technology > Chemical engineering |
| Department: | Faculty of Engineering > Chemical and Process Engineering |
| Related URLs: | |
| Depositing user: | Pure Administrator |
| Date Deposited: | 30 Jan 2012 12:14 |
| Last modified: | 12 Mar 2012 11:45 |
| URI: | http://strathprints.strath.ac.uk/id/eprint/37168 |
Actions (login required)
| View Item |