Response to "Comment on 'Binding Debye-Huckel theory for associative electrolyte solutions'"

被引:0
|
作者
Naseri Boroujeni, S. [1 ,3 ]
Maribo-Mogensen, B. [2 ]
Liang, X. [1 ]
Kontogeorgis, G. M. [1 ]
机构
[1] Tech Univ Denmark DTU, Ctr Energy Resources Engn, Dept Chem & Biochem Engn, Bldg 229, DK-2800 Lyngby, Denmark
[2] Hafnium Labs ApS, Vestergade 16,3rd Floor, DK-1456 Copenhagen, Denmark
[3] Imperial Coll London, Sargent Ctr Proc Syst Engn, Inst Mol Sci & Engn, Dept Chem Engn, London SW7 2AZ, England
来源
JOURNAL OF CHEMICAL PHYSICS | 2024年 / 161卷 / 05期
基金
欧洲研究理事会; 欧盟地平线“2020”;
关键词
DIRECTIONAL ATTRACTIVE FORCES; MEAN SPHERICAL APPROXIMATION; EQUATION-OF-STATE; ACTIVITY-COEFFICIENTS; HARD-SPHERES; FLUIDS; MODEL; CRITICALITY; SYSTEMS; MIXTURES;
D O I
10.1063/5.0219433
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
This Response addresses critiques raised about the Binding Debye-Huckel (BiDH) theory [Naseri Boroujeni et al., J. Chem. Phys. 159, 154503 (2023)] by Simonin and Bernard [J.-P. Simonin and O. Bernard, J. Chem. Phys. 161, 057102 (2024)]. The critiques questioned the foundational framework of the Debye-Huckel (DH) theory, the relevance of ion pairing in primitive model fluids, and the accuracy of the BiDH model compared to mean spherical approximation model. Through a systematic rebuttal, supported by extensive literature review and comparison with Monte Carlo simulation data, this Response addresses these concerns. It demonstrates the efficacy of DH theory in describing real electrolyte solutions, validates the relevance of ion pairing in primitive model fluids, and establishes the BiDH model's accuracy in describing electrolyte properties.
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页数:6
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