Mechanisms of Advanced Oxidation Processes, the Principle of Detailed Balancing, and Specifics of the UV/Chloramine Process
| Autor: | David M. Stanbury |
|---|---|
| Rok vydání: | 2020 |
| Předmět: |
Process (engineering)
business.industry Ultraviolet Rays Water pollutants Chloramines Oxidation reduction General Chemistry Hydrogen Peroxide 010501 environmental sciences 01 natural sciences Automation Kinetics Environmental Chemistry Biochemical engineering business Oxidation-Reduction Water Pollutants Chemical 0105 earth and related environmental sciences |
| Zdroj: | Environmental sciencetechnology. 54(7) |
| ISSN: | 1520-5851 |
| Popis: | Advanced oxidation processes tend to have very complex reaction mechanisms, and models containing over 150 steps have been developed to describe the chemistry. Without the aid of automation, it is extremely difficult to avoid the development of kinetic mechanisms that violate the principle of detailed balancing. Here, we apply DETBAL, a computer application, to systematically identify many violations of the principle of detailed balancing in a model proposed for the UV/chloramine process. We then show that these violations can also be found in dozens of other proposed models for advanced oxidation processes. Suggested repairs to these violations are provided. These repairs lead to no significant changes in the model predictions because the illegal loops include steps that are unnecessary under the conditions modeled. The model omits certain steps that do have significant effects on the model predictions. |
| Databáze: | OpenAIRE |
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