Kinetic modelling of paracetamol degradation by photocatalysis: Incorporating the competition for photons by the organic molecule and the photocatalyst

Alvarado-Rolon, O.; Natividad, Reyna; Ramírez-García, J. J.; Orozco-Velazco, J.; Hernández-Servín, J. A.; Ramírez-Serrano, A.

doi:10.1016/j.jphotochem.2021.113252

Cited by 14 publications

(7 citation statements)

References 22 publications

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“…About 50% of paracetamol was oxidized by means of the photolytic process (UV light). This has already been reported previously and ascribed to the photons in the radiation field being able to degrade the paracetamol molecule; 35 however, the original molecule was only decomposed into smaller compounds but not to CO 2 . To extend our study to the oxidation of paracetamol, we performed additional experiments where the components of the photo-Fenton-like process were evaluated to elucidate their effect on the oxidation process.…”

Section: Resultssupporting

confidence: 74%

Al/Cu-PILC as a Photo-Fenton Catalyst: Paracetamol Mineralization

et al. 2022

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Pillared clays have shown to effectively catalyze the photo-Fenton process without the necessity of acidic conditions, which is a very attractive feature from the perspective of environmentally friendly processes, especially when high natural abundance of chemical elements are incorporated. In this work, the catalytic activity of Al/Cu interlayered pillared clays for the degradation and mineralization of paracetamol through a photo-Fenton-like process was investigated. Al/Cu-pillared clays were prepared by adding ane Al/Cu pillaring solution to a bentonite suspension. X-ray diffraction (XRD) confirmed the enlargement of the interlayer space of the clay provoked by the pillaring process and Al and Cu species in the prepared samples were verified by atomic absorption spectroscopy (AAS). The specific surface area of pure bentonite was 2-fold increased after the Al/Cu pillaring process. A synthetic paracetamol solution with an initial concentration of 100 ppm was prepared for the assessment of the activity of the prepared materials. Different catalyst concentrations were tested (0.2, 0.5, 0.75, and 1 g L –1 ) and the complete removal of paracetamol was achieved in all cases, but the highest mineralization rate (69.8 mg total organic carbon (TOC) g cat –1 h –1 ) corresponds to the catalyst loading of 0.5 g L –1 . An ultraviolet-C (UVC) light source was employed, and no adjustment of the pH to acidic conditions was needed to achieve these results. Liquid chromatography coupled to mass spectroscopy (LC-MS) was employed to identify the reaction intermediates of paracetamol degradation. A proposed pathway for the oxidation of paracetamol molecule is presented. The effect of Cu content in the pillared clay and the stability and reusability of the catalyst were also assessed. The kinetic constants of paracetamol removal were 0.2318 and 0.0698 min –1 , under photo-Fenton and UV + H 2 O 2 processes, respectively.

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Section: Resultssupporting

confidence: 74%

Al/Cu-PILC as a Photo-Fenton Catalyst: Paracetamol Mineralization

et al. 2022

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“…It is worth pointing out that the comparison should be taken with caution since the values reported in Table 6 were obtained under a different radiation field and a reactor completely different to that used in this work. At this point, it is worth recalling that the radiation intensity and reactor design affect oxidation rate [63]. Nevertheless, it is important to notice that the accumulation rate of GCD and FD in this work is one and two orders of magnitude higher, respectively, than in previous studies where the glycerol photo-oxidation is catalyzed by other metals.…”

Section: Optimizationmentioning

confidence: 68%

Photo-Oxidation of Glycerol Catalyzed by Cu/TiO2

et al. 2022

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In the present study, glycerol was oxidized by photocatalysis to glyceraldehyde, formaldehyde, and formic acid. Copper-doped TiO2 was synthesized by the evaporation-induced self-assembly approach and it was used as catalyst during the glycerol photo-oxidation reactions. The prepared mesoporous material exhibited high specific surface area (242 m2/g) and band gap energy reduction of 2.55 eV compared to pure titania (3.2 eV) by the synthesis method due to the presence of copper cations (Cu2+ identified by XPS). The catalyst showed only anatase crystalline phase with nanocrystals around 8 nm and irregular agglomerates below 100 μm. The selectivity and formation rate of the products were favored towards formaldehyde and glyceraldehyde. The variables studied were catalyst amount, reaction temperature, and initial glycerol concentration. The response surface analysis was used to evaluate the effect of the variables on the product’s concentration. The optimized conditions were 0.4 g/L catalyst, 0.1 mol/L glycerol, and temperature 313.15 K. The response values under optimal conditions were 3.23, 8.17, and 1.15 mM for glyceraldehyde, formaldehyde, and formic acid, respectively. A higher selectivity towards formaldehyde was observed when visible light was used as the radiation source. This study is useful to evaluate the best reaction conditions towards value-added products during the oxidation of glycerol by photocatalysis using Cu/TiO2.

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“…Alvarado-Rolon et al's work on kinetic modeling of paracetamol degradation by photocatalysis considered the UV light absorptions at 254 nm by both the photocatalyst of TiO 2 and the reagent of paracetamol. 34 In this work, the UV absorption by CO 2 is not considered because He et al 35 demonstrated that no absorption by CO 2 is observed in the wavelength range of 307− 725 nm. Moreover, the UV absorption by H 2 is omitted in this work because the concentration of H 2 in the gas is very low with the maximum mass fraction of about 10 −10 .…”

Section: Simulation Theorymentioning

confidence: 99%

“…During simulation, W cat is equal to the solid density of the photocatalyst times solid fraction (ρ s × ε s ). Alvarado-Rolon et al.’s work on kinetic modeling of paracetamol degradation by photocatalysis considered the UV light absorptions at 254 nm by both the photocatalyst of TiO 2 and the reagent of paracetamol . In this work, the UV absorption by CO 2 is not considered because He et al demonstrated that no absorption by CO 2 is observed in the wavelength range of 307–725 nm.…”

Section: Simulation Theorymentioning

confidence: 99%

Investigation of CO₂ Photoreduction in an Annular Fluidized Bed Photoreactor by MP-PIC Simulation

Tan

Maroto‐Valer

2022

Ind. Eng. Chem. Res.

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Carbon dioxide (CO 2 ) photoreduction is a promising process for both mitigating CO 2 emissions and providing chemicals and fuels. A gas–solid two-phase annular fluidized bed photoreactor (FBPR) would be preferred for this process due to its high mass-transfer rate and easy operation. However, CO 2 photoreduction using the FBPR has not been widely researched to date. The Lagrangian multiphase particle-in-cell (MP-PIC) simulation with computational fluid dynamic models is a new and robust approach to explore the multiphase reaction system in the gas–solid fluidized bed. Therefore, the purpose of this paper is to investigate CO 2 photoreduction in the FBPR by MP-PIC modeling to understand the intrinsic mechanism of solid flow, species mass transfer, and CO 2 photoreaction. The MP-PIC models for solid flow in the FBPR were validated by the bed expansion height and bubble size. The results showed the particle stress of the Lun model, the drag of the Ergun-WenYu (Gidaspow) model, and the coefficient of restitution e = 0.95 with the wall parameters e w = 0.9 and μ w = 0.6 are the best fit to the experimental empirical correlations. The MP-PIC models developed in this work proved to be better than the Eulerian two-fluid modeling in the prediction of the bed expansion height and bubble size. It was also found from the simulation results that the maximum radiation intensity is in the half reactor height area, and the photocatalytic reaction mainly occurred around the inner wall. It showed that the gas velocity and catalyst loading were two crucial operating parameters to control the process. The results reported here can provide guidance for the operation and reactor design of the CO 2 photoreduction process.

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Kinetic modelling of paracetamol degradation by photocatalysis: Incorporating the competition for photons by the organic molecule and the photocatalyst

Cited by 14 publications

References 22 publications

Al/Cu-PILC as a Photo-Fenton Catalyst: Paracetamol Mineralization

Al/Cu-PILC as a Photo-Fenton Catalyst: Paracetamol Mineralization

Photo-Oxidation of Glycerol Catalyzed by Cu/TiO2

Investigation of CO₂ Photoreduction in an Annular Fluidized Bed Photoreactor by MP-PIC Simulation

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Kinetic modelling of paracetamol degradation by photocatalysis: Incorporating the competition for photons by the organic molecule and the photocatalyst

Cited by 14 publications

References 22 publications

Al/Cu-PILC as a Photo-Fenton Catalyst: Paracetamol Mineralization

Al/Cu-PILC as a Photo-Fenton Catalyst: Paracetamol Mineralization

Photo-Oxidation of Glycerol Catalyzed by Cu/TiO2

Investigation of CO2 Photoreduction in an Annular Fluidized Bed Photoreactor by MP-PIC Simulation

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Investigation of CO₂ Photoreduction in an Annular Fluidized Bed Photoreactor by MP-PIC Simulation