Comment on "Binding Debye-Hückel theory for associative electrolyte solutions - Sorbonne Université Access content directly
Journal Articles General formulation The Journal of Chemical Physics Year : 2024

Comment on "Binding Debye-Hückel theory for associative electrolyte solutions

Abstract

It is argued that the Binding Debye-Hückel (BiDH) model proposed in [J. Chem. Phys. 159, 154503 (2023)] might not be appropriate for the description of Monte-Carlo (MC) simulation data obtained for primitive model electrolytes. The first reason is that the original Debye-Hückel (DH) theory is of low accuracy for describing deviations from ideality in concentrated solutions of strong salts. The DH framework is thus a poor basis for building a model including association. The second reason is that the mean-spherical approximation (MSA), without assumption of association, apparently predicts MC data for primitive electrolytes better than BiDH. Thus the BiDH model seems to be simply a way of compensating for the deficiencies of DH theory by assuming association.
Fichier principal
Vignette du fichier
BiDH_Comment_R1.pdf (140.32 Ko) Télécharger le fichier
Origin : Files produced by the author(s)

Dates and versions

hal-04530674 , version 1 (03-04-2024)

Identifiers

  • HAL Id : hal-04530674 , version 1

Cite

Jean-Pierre Simonin, Olivier Bernard. Comment on "Binding Debye-Hückel theory for associative electrolyte solutions. General formulation The Journal of Chemical Physics, In press. ⟨hal-04530674⟩
0 View
0 Download

Share

Gmail Facebook X LinkedIn More