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Bromamine Decomposition Revisited: A Holistic Approach for Analyzing Acid and Base Catalysis Kinetics
Citation:
Wahman, D., G. Speitel, AND L. Katz. Bromamine Decomposition Revisited: A Holistic Approach for Analyzing Acid and Base Catalysis Kinetics. ENVIRONMENTAL SCIENCE & TECHNOLOGY. American Chemical Society, Washington, DC, 51(22):13205-13215, (2017). https://doi.org/10.1021/acs.est.7b02661
Impact/Purpose:
Proposes a method to analyze haloamine chemistry and updates relevant bromamine chemistry.
Description:
Chloramine chemistry is complex, with a variety of reactions occurring in series and parallel and many that are acid or base catalyzed, resulting in numerous rate constants. When bromide is present, system complexity increases even further with possible bromamine and bromochloramine formation. Therefore, techniques for parameter estimation must address this complexity through thoughtful experimental design and robust data analysis approaches. The current research outlines a rational basis for constrained data fitting using Brønsted theory, application of the principle of microscopic reversibility to reversible acid or base catalyzed reactions, and characterization of the relative significance of parallel reactions using fictive product tracking. Demonstration of this approach on a comprehensive and well–documented data set for bromamine decomposition highlights the advantages of this more rigorous, yet simplified analysis for describing data across a broad condition range. The simplified model determined in the current research (3 reactions, 17 constants) represented the experimental data better than the previously published model (4 reactions, 28 constants). A final model evaluation was conducted based on representative drinking water conditions to determine a minimal model (3 reactions, 8 constants) applicable for drinking water conditions.
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DOI: Bromamine Decomposition Revisited: A Holistic Approach for Analyzing Acid and Base Catalysis Kinetics
https://pubs.acs.org/doi/pdf/10.1021/acs.est.7b02661
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