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Response to "Comment on 'Binding Debye-Hückel theory for associative electrolyte solutions'" [J. Chem. Phys. 159, 154503 (2023)]. | LitMetric

Response to "Comment on 'Binding Debye-Hückel theory for associative electrolyte solutions'" [J. Chem. Phys. 159, 154503 (2023)].

J Chem Phys

Center for Energy Resources Engineering, Department of Chemical and Biochemical Engineering, Technical University of Denmark (DTU), Søltofts Plads, Building 229, 2800 Kgs. Lyngby, Denmark.

Published: August 2024

AI Article Synopsis

  • This Response counters critiques of the Binding Debye-Hückel (BiDH) theory proposed by Simonin and Bernard, specifically addressing concerns about the Debye-Hückel (DH) theory's foundations and its application to electrolyte solutions.
  • It argues that ion pairing is significant in primitive model fluids and provides evidence through literature review and Monte Carlo simulation data.
  • The Response concludes that the DH theory remains effective for real electrolytes and confirms the BiDH model's accuracy in predicting electrolyte properties.

Article Abstract

This Response addresses critiques raised about the Binding Debye-Hückel (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. (2024)]. The critiques questioned the foundational framework of the Debye-Hückel (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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Source
http://dx.doi.org/10.1063/5.0219433DOI Listing

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