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DOI10.1021/acs.est.7b02661
Bromamine Decomposition Revisited: A Holistic Approach for Analyzing Acid and Base Catalysis Kinetics
Wahman, David G.1; Speitel, Gerald E., Jr.2; Katz, Lynn E.2
发表日期2017-11-21
ISSN0013-936X
卷号51期号:22页码:13205-13215
英文摘要

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. Bromide presence increases system complexity 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 Bronsted theory, application of the microscopic reversibility principle to reversible acid or base catalyzed reactions, and characterization of the relative significance of parallel reactions using fictive product tracking. This holistic approach was used on a compreherisive and well-documented data set for bromamine decomposition; allowing new interpretations of existing data by revealing that a previously published reaction Scheme was not robust; it was not able to describe monobromamine or dibromamine decay outside of the conditions for which It was calibrated. The current research's simplified model (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.


语种英语
WOS记录号WOS:000416496700016
来源期刊ENVIRONMENTAL SCIENCE & TECHNOLOGY
来源机构美国环保署
文献类型期刊论文
条目标识符http://gcip.llas.ac.cn/handle/2XKMVOVA/58244
作者单位1.US EPA, Off Res & Dev, Cincinnati, OH 45268 USA;
2.Univ Texas Austin, Dept Civil Architectural & Environm Engn, Austin, TX 78712 USA
推荐引用方式
GB/T 7714
Wahman, David G.,Speitel, Gerald E., Jr.,Katz, Lynn E.. Bromamine Decomposition Revisited: A Holistic Approach for Analyzing Acid and Base Catalysis Kinetics[J]. 美国环保署,2017,51(22):13205-13215.
APA Wahman, David G.,Speitel, Gerald E., Jr.,&Katz, Lynn E..(2017).Bromamine Decomposition Revisited: A Holistic Approach for Analyzing Acid and Base Catalysis Kinetics.ENVIRONMENTAL SCIENCE & TECHNOLOGY,51(22),13205-13215.
MLA Wahman, David G.,et al."Bromamine Decomposition Revisited: A Holistic Approach for Analyzing Acid and Base Catalysis Kinetics".ENVIRONMENTAL SCIENCE & TECHNOLOGY 51.22(2017):13205-13215.
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