Development and validation of a simplified kinetic model for predicting organic micropollutant degradation in vacuum ultraviolet water treatment

• Vacuum UV based advanced oxidation process is a potential chemical-free process. • Kinetic modeling is required to assess its feasibility for industrial water matrices. • Quasi-steady-state kinetic model, balancing simplicity with robustness developed. • Model validated against lab-scale experiments in natural water matrices for carbamazepine, atrazine, and diclofenac. • Model can be adapted for computational fluid dynamics platform, accelerating reactor designing. Vacuum-UV (VUV) advanced oxidation processes (AOPs) show promise for organic micropollutant (OMP) degradation, offering a chemical-free and cost-effective solution. Integrating VUV-AOP with conventional UV/H 2 O 2 AOP can reduce H 2 O 2 dosing. However, upscaling VUV-AOP faces challenges due to limited VUV photon penetration in water. Kinetic modelling is required to assess the feasibility of VUV AOPs for industrial water matrices. This paper presents a quasi -steady-state kinetic model, balancing simplicity with robustness. The model includes direct photolysis at UV 254nm and VUV 185nm and oxidation via hydroxyl, chlorine, and carbonate radicals as degradation pathways. The model is calibrated by including or excluding (photo)chemical reactions and simplified using steady-state assumptions for each relevant reactive radical. The model is validated against lab-scale experiments in Milli-Q® water, groundwater, surface water, and tap water matrices for carbamazepine, atrazine, and diclofenac. These compounds have varying degrees of direct photolysis and oxidation rates, thus validating the model’s ability to predict their contributions toward organic micropollutant degradation. Surface water and tap water matrices are spiked with various anions the effect of which was well-predicted by the model. The model can be adapted for a computational fluid dynamics platform, accelerating reactor design.

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Publication Details

Journal
Chemical Engineering Journal
Published
2024-09-23
DOI
https://doi.org/10.1016/j.cej.2024.155998
Citations
3
Primary Topic
Advanced oxidation water treatment
Type
article
Field-Weighted Citation Impact
0.60
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article

Development and validation of a simplified kinetic model for predicting organic micropollutant degradation in vacuum ultraviolet water treatment

B.A. Wols, N. Kovoor George, Wolfgang Gernjak
3 citations
Chemical Engineering Journal
Advanced oxidation water treatment
0.60
article

Development and validation of a simplified kinetic model for predicting organic micropollutant degradation in vacuum ultraviolet water treatment

B.A. Wols, N. Kovoor George, Wolfgang Gernjak
article en
3 citations

Abstract

• Vacuum UV based advanced oxidation process is a potential chemical-free process. • Kinetic modeling is required to assess its feasibility for industrial water matrices. • Quasi-steady-state kinetic model, balancing simplicity with robustness developed. • Model validated against lab-scale experiments in natural water matrices for carbamazepine, atrazine, and diclofenac. • Model can be adapted for computational fluid dynamics platform, accelerating reactor designing. Vacuum-UV (VUV) advanced oxidation processes (AOPs) show promise for organic micropollutant (OMP) degradation, offering a chemical-free and cost-effective solution. Integrating VUV-AOP with conventional UV/H 2 O 2 AOP can reduce H 2 O 2 dosing. However, upscaling VUV-AOP faces challenges due to limited VUV photon penetration in water. Kinetic modelling is required to assess the feasibility of VUV AOPs for industrial water matrices. This paper presents a quasi -steady-state kinetic model, balancing simplicity with robustness. The model includes direct photolysis at UV 254nm and VUV 185nm and oxidation via hydroxyl, chlorine, and carbonate radicals as degradation pathways. The model is calibrated by including or excluding (photo)chemical reactions and simplified using steady-state assumptions for each relevant reactive radical. The model is validated against lab-scale experiments in Milli-Q® water, groundwater, surface water, and tap water matrices for carbamazepine, atrazine, and diclofenac. These compounds have varying degrees of direct photolysis and oxidation rates, thus validating the model’s ability to predict their contributions toward organic micropollutant degradation. Surface water and tap water matrices are spiked with various anions the effect of which was well-predicted by the model. The model can be adapted for a computational fluid dynamics platform, accelerating reactor design.

Chemical Engineering JournalVol. 499
Institució Catalana de Recerca i Estudis Avançats (ES), Universitat de Girona (ES), Catalan Institute for Water Research (ES), Medisch Centrum Leeuwarden (NL), KWR Water Research Institute (NL)
Clean water and sanitation
Openalex Percentile: Top 33%
Advanced oxidation water treatment
0.60
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