Mechanistic Model and Optimization of the Diclofenac Degradation Kinetic for Ozonation Processes Intensification

Acosta-Angulo, Bryan; Lara-Ramos, Jose; Diaz-Angulo, Jennyfer; Mueses, Miguel Angel; Machuca-Martínez, Fiderman

doi:10.3390/w13121670

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Mechanistic Model and Optimization of the Diclofenac Degradation Kinetic for Ozonation Processes Intensification

and

Fiderman Machuca-Martínez

^2,*

Modeling & Application of Advanced Oxidation Processes, Photocatalysis & Solar Photoreactors Engineering, Chemical Engineering Program, Universidad de Cartagena, Cartagena, 1382-Postal 195, Colombia

GAOX, CENM, Escuela de Ingeniería Química, Universidad del Valle, Cali 760032, Colombia

Research Group in Development of Materials and Products GIDENMP, CDT, ASTIN SENA, Tecnoparque 76003, Colombia

Author to whom correspondence should be addressed.

Academic Editor: Zacharias Frontistis

Water 2021, 13(12), 1670; https://doi.org/10.3390/w13121670

Received: 18 May 2021 / Revised: 9 June 2021 / Accepted: 11 June 2021 / Published: 15 June 2021

(This article belongs to the Special Issue Advances in Water and Wastewater Monitoring and Treatment Technology 2.0)

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Abstract

This work focused on estimating the rate constants for three ozone-based processes applied in the degradation of diclofenac. The ozonation (Oz) and its intensification with catalysis (COz) and photocatalysis (PCOz) were studied. Three mathematical models were evaluated with a genetic algorithm (GA) to find the optimal values for the kinetics constants. The Theil inequality coefficient (TIC) worked as a criterion to assess the models’ deviation. The diclofenac consumption followed a slow kinetic regime according to the Hatta number (

H a < 0.3

). However, it strongly contrasted with earlier studies. The obtained values for the volumetric rate of photon absorption (VRPA) corresponding to the PCOz process (

1.75 \times 10^{- 6}

6.54 \times 10^{- 7} E i n s t e i n L^{- 1} m i n^{- 1}

) were significantly distant from the maximum (

2.59 \times 10^{- 5} E i n s t e i n L^{- 1} m i n^{- 1}

). The computed profiles of chemical species proved that no significant amount of hydroxyl radicals was produced in the Oz, whereas the PCOz achieved the highest production rate. According to this, titanium dioxide significantly contributed to ozone decomposition, especially at low ozone doses. Although the models’ prediction described a good agreement with the experimental data (

T I C < 0.3

), the optimization algorithm was likely to have masked the rate constants as they had highly deviated from already reported values. View Full-Text

Keywords: modeling; kinetic study; ozonation; genetic algorithm; intensification

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MDPI and ACS Style

Acosta-Angulo, B.; Lara-Ramos, J.; Diaz-Angulo, J.; Mueses, M.A.; Machuca-Martínez, F. Mechanistic Model and Optimization of the Diclofenac Degradation Kinetic for Ozonation Processes Intensification. Water 2021, 13, 1670. https://doi.org/10.3390/w13121670

AMA Style

Acosta-Angulo B, Lara-Ramos J, Diaz-Angulo J, Mueses MA, Machuca-Martínez F. Mechanistic Model and Optimization of the Diclofenac Degradation Kinetic for Ozonation Processes Intensification. Water. 2021; 13(12):1670. https://doi.org/10.3390/w13121670

Chicago/Turabian Style

Acosta-Angulo, Bryan, Jose Lara-Ramos, Jennyfer Diaz-Angulo, Miguel Angel Mueses, and Fiderman Machuca-Martínez. 2021. "Mechanistic Model and Optimization of the Diclofenac Degradation Kinetic for Ozonation Processes Intensification" Water 13, no. 12: 1670. https://doi.org/10.3390/w13121670

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Mechanistic Model and Optimization of the Diclofenac Degradation Kinetic for Ozonation Processes Intensification

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