The primitive model in classical density functional theory: beyond the standard mean-field approximation
The primitive model describes ions by point charges with an additional hard-core interaction. In classical density-functional theory (DFT) the mean-field electrostatic contribution can be obtained from the first order of a functional perturbation of the pair potential for an uncharged reference syst...
Main Authors: | Bültmann, M. (Author), Härtel, A. (Author) |
---|---|
Format: | Article |
Language: | English |
Published: |
NLM (Medline)
2022
|
Subjects: | |
Online Access: | View Fulltext in Publisher |
Similar Items
-
Interfacial properties of calcium montmorillonite in aqueous solutions : Density functional theory and classical molecular dynamics studies on the electric double layer
by: Yang, Guomin
Published: (2017) -
Solvent primitive model of an electric double layer in slit-like pores: microscopic structure, adsorption and capacitance from a density functional approach
by: O. Pizio, et al.
Published: (2014-06-01) -
An analysis of the fluctuation potential in the modified Poisson-Boltzmann theory for restricted primitive model electrolytes
by: E.O. Ulloa-Dávila, et al.
Published: (2017-12-01) -
Towards the description of the phase behavior of electrolyte solutions in slit-like pores. Density functional approach for the restricted primitive model
by: O.Pizio, et al.
Published: (2004-01-01) -
Thermodynamics of primitive model electrolytes in the symmetric and modified Poisson-Boltzmann theories. A comparative study with Monte Carlo simulations
by: A.O. Quiñones, et al.
Published: (2018-06-01)