Work

Density Functional Theory of Ionic Screening: When Do Like Charges Attract?

Year: 1990
Type: article
Abstract: We describe a simple local density functional theory for screened interactions between macroions and apply it to electric double layers. The approach incorporates the strong correlations between screening ions at high densities, and reduces to the Poisson-Boltzmann equations at low densities. Results for monovalent ions are in excellent agreement with Monte Carlo (MC) and inhomogeneous hypernetted chain (IHNC) calculations. Nonlocal effects are important for divalent ions at small macroion separations and high surface charge densities. A simple weighted density approximation qualitatively reproduces MC and IHNC results in this regime, and provides a simple explanation for the onset of attractive interactions between like-charged plates.
Language: English
Field: Chemistry
Open Access status: bronze
OpenAlex ID: W2073149091
FWCI: 1.449
Cites: 21
Cited by: 110
Related to: 10