Abstract
We develop a general formalism for including nonelectrostatic interactions, such as excluded volume interactions, in the Poisson-Boltzmann (PB)
equation. The resulting theory can be applied to any boundary condition
and is as easy to numerically implement as the original PB equation.
As a specific example, we combine the PB equation with the Boublik-Mansoori-Carnahan-
Starling equation of state to model charged hard-sphere systems.
This theory is applied to a charged sphere immersed in a salt solution,
and the electric field and ion distribution about the sphere are
computed.
Original language | English |
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Pages (from-to) | 3726-3730 |
Number of pages | 5 |
Journal | Langmuir |
Volume | 15 |
Issue number | 11 |
DOIs | |
Publication status | Published - 25 May 1999 |
Keywords
- double-layer
- monte-carlo
- electrolyte
- simulation
- macroion