JOURNAL ARTICLE
Response to "Comment on 'Binding Debye–Hückel theory for associative electrolyte solutions'" [J. Chem. Phys. 159, 154503 (2023)].
Published In: Journal of Chemical Physics, 2024, v. 161, n. 5. P. 1 1 of 3
Database: Academic Search Ultimate 2 of 3
Authored By: Naseri Boroujeni, S.; Maribo-Mogensen, B.; Liang, X.; Kontogeorgis, G. M. 3 of 3
Abstract
This article responds to critiques by Simonin and Bernard regarding the Binding Debye–Hückel (BiDH) theory for associative electrolyte solutions. It defends the foundational use of the Debye–Hückel (DH) theory, demonstrating its effectiveness in describing both aqueous and non-aqueous electrolyte solutions, and clarifies that the BiDH model’s development incorporates multiple theoretical frameworks beyond the Bjerrum theory, which is only applied at infinite dilution. The response also presents evidence from Monte Carlo (MC) simulations and literature confirming the relevance of ion pairing in primitive model fluids. A systematic comparison of BiDH, mean spherical approximation (MSA), and related models against extensive MC data shows that BiDH and HS + MSA models provide the most accurate predictions, challenging claims that MSA consistently outperforms BiDH.
Additional Information
- Source:Journal of Chemical Physics. 2024/08, Vol. 161, Issue 5, p1
- Document Type:Article
- Subject Area:History
- Publication Date:2024
- ISSN:0021-9606
- DOI:10.1063/5.0219433
- Accession Number:178879341
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