Incorporation of nonelectrostatic interactions in the Poisson- Boltzmann equation

L. Lue, N. Zoeller, D. Blankschtein

Research output: Contribution to journalArticle

95 Citations (Scopus)

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 languageEnglish
Pages (from-to)3726-3730
Number of pages5
JournalLangmuir
Volume15
Issue number11
DOIs
Publication statusPublished - 25 May 1999

Keywords

  • double-layer
  • monte-carlo
  • electrolyte
  • simulation
  • macroion

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