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Influence of NOM concentration on parameter sensitivity of a mechanistic ozone decomposition model

Wim Audenaert UGent, Mathieu Vandevelde, Stijn Van Hulle UGent and Ingmar Nopens UGent (2011) IWA BeNeLux Regional Young Water Professionals Conference, 2nd, Abstracts.
abstract
Aqueous ozone decomposition proceeds through a complex chain mechanism of radical reactions. When natural organic matter (NOM) is present, the system becomes much more complex and often (semi-)empirical modelling approaches are used to describe ozonation of water and wastewater systems. Mechanistic models, however, can be of great value to gain knowledge in the chemical pathways of ozonation and advanced oxidation processes in view of engineering applications. However, the numerous model parameters and model complexity often restrict their applicability. Model simplification is then an option to cure these drawbacks. In this study, sensitivity analyses (SAs) were used to determine the most important elementary reactions from the complex kinetic model. Additionally, SAs were used to understand the reaction mechanism. It was demonstrated that only seven of the twenty-eight first and second order rate constants showed to impact ozone and HO• concentrations. Processes involving HO• scavenging by inorganic carbon were of minor importance. Mass-transfer related parameters kLa and [O3*] were of major importance in all cases. Hence, it is of extreme importance that these parameters are determined with high accuracy. It was shown that the aqueous ozone concentration is extremely sensitive to parameters involving NOM at very low scavenger concentrations implying that impurities should always be considered in models, even in ultrapure water systems. Uncertainty analysis showed that especially the HO• concentration is susceptible to variations in influent composition. The uncertainty regarding this species significantly reduced with increasing levels of scavengers and especially NOM. It was demonstrated that simplification of the elementary radical scheme should be considered. On the other hand, a model extension with regard to reactions involving NOM should be performed in order to improve the applicability of future wastewater ozonation models.
Please use this url to cite or link to this publication:
author
organization
year
type
conference
publication status
published
subject
keyword
Aqueous ozone decomposition, natural organic matter, ozone kinetics, sensitivity analysis
in
IWA BeNeLux Regional Young Water Professionals Conference, 2nd, Abstracts
pages
3 pages
publisher
International Water Association (IWA)
conference name
2nd IWA BeNeLux Regional Young Water Professionals Conference
conference location
Leuven, Belgium
conference start
2011-09-20
conference end
2011-09-22
language
English
UGent publication?
yes
classification
C1
copyright statement
I have transferred the copyright for this publication to the publisher
id
1910910
handle
http://hdl.handle.net/1854/LU-1910910
date created
2011-09-28 15:51:57
date last changed
2011-09-29 09:07:58
@inproceedings{1910910,
  abstract     = {Aqueous ozone decomposition proceeds through a complex chain mechanism of radical reactions. When natural organic matter (NOM) is present, the system becomes much more complex and often (semi-)empirical modelling approaches are used to describe ozonation of water and wastewater systems. Mechanistic models, however, can be of great value to gain knowledge in the chemical pathways of ozonation and advanced oxidation processes in view of engineering applications. However, the numerous model parameters and model complexity often restrict their applicability. Model simplification is then an option to cure these drawbacks. In this study, sensitivity analyses (SAs) were used to determine the most important elementary reactions from the complex kinetic model. Additionally, SAs were used to understand the reaction mechanism. It was demonstrated that only seven of the twenty-eight first and second order rate constants showed to impact ozone and HO{\textbullet} concentrations. Processes involving HO{\textbullet} scavenging by inorganic carbon were of minor importance. Mass-transfer related parameters kLa and [O3*] were of major importance in all cases. Hence, it is of extreme importance that these parameters are determined with high accuracy. It was shown that the aqueous ozone concentration is extremely sensitive to parameters involving NOM at very low scavenger concentrations implying that impurities should always be considered in models, even in ultrapure water systems. Uncertainty analysis showed that especially the HO{\textbullet} concentration is susceptible to variations in influent composition. The uncertainty regarding this species significantly reduced with increasing levels of scavengers and especially NOM. It was demonstrated that simplification of the elementary radical scheme should be considered. On the other hand, a model extension with regard to reactions involving NOM should be performed in order to improve the applicability of future wastewater ozonation models.},
  author       = {Audenaert, Wim and Vandevelde, Mathieu and Van Hulle, Stijn and Nopens, Ingmar},
  booktitle    = {IWA BeNeLux Regional Young Water Professionals Conference, 2nd, Abstracts},
  keyword      = {Aqueous ozone decomposition,natural organic matter,ozone kinetics,sensitivity analysis},
  language     = {eng},
  location     = {Leuven, Belgium},
  pages        = {3},
  publisher    = {International Water Association (IWA)},
  title        = {Influence of NOM concentration on parameter sensitivity of a mechanistic ozone decomposition model},
  year         = {2011},
}

Chicago
Audenaert, Wim, Mathieu Vandevelde, Stijn Van Hulle, and Ingmar Nopens. 2011. “Influence of NOM Concentration on Parameter Sensitivity of a Mechanistic Ozone Decomposition Model.” In IWA BeNeLux Regional Young Water Professionals Conference, 2nd, Abstracts. International Water Association (IWA).
APA
Audenaert, W., Vandevelde, M., Van Hulle, S., & Nopens, I. (2011). Influence of NOM concentration on parameter sensitivity of a mechanistic ozone decomposition model. IWA BeNeLux Regional Young Water Professionals Conference, 2nd, Abstracts. Presented at the 2nd IWA BeNeLux Regional Young Water Professionals Conference, International Water Association (IWA).
Vancouver
1.
Audenaert W, Vandevelde M, Van Hulle S, Nopens I. Influence of NOM concentration on parameter sensitivity of a mechanistic ozone decomposition model. IWA BeNeLux Regional Young Water Professionals Conference, 2nd, Abstracts. International Water Association (IWA); 2011.
MLA
Audenaert, Wim, Mathieu Vandevelde, Stijn Van Hulle, et al. “Influence of NOM Concentration on Parameter Sensitivity of a Mechanistic Ozone Decomposition Model.” IWA BeNeLux Regional Young Water Professionals Conference, 2nd, Abstracts. International Water Association (IWA), 2011. Print.