کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
147327 | 456389 | 2014 | 13 صفحه PDF | دانلود رایگان |
• Photooxidative degradation of aromatics predicted by mechanistic modeling (MM).
• Introduced structurally dependent kinetic parameters in MM.
• Kinetic parameters predicted by QSPR modeling.
• Developed robust and flexible model simulating degradation of aromatics by UV/H2O2 process.
The study was aimed at developing a model simulating the photooxidative degradation of single-benzene ring typically water pollutants. In that purpose, 30 aromatics with different types, numbers and positions of substitutes were treated by UV/H2O2 process. The hypothesis of structural dependence of degradation kinetics was tested by combined mechanistic and structural-relationship modeling approach. The treatment is simulated by mechanistic model (MM) based on simplified degradation scheme. QSPR models were developed to predict the parameters of MM in dependence of parent pollutant structure. The applied combined approach yielded high accuracy in simulating the overall system behavior, accurately predicting the effectiveness of UV/H2O2 process by the means of parent pollutant conversion and mineralization of overall organic content, as well as describing the pH changes and consumption of oxidant during the treatment.
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Journal: Chemical Engineering Journal - Volume 257, 1 December 2014, Pages 229–241