CFD modeling of pharmaceuticals and CECs removal by UV/H2O2 process in helical microcapillary photoreactors and evaluation of OH radical rate constants

Moreira, Rodrigo Peralta Muniz; Puma, Gianluca Li

doi:10.1016/j.cej.2021.128833

Cited by 16 publications

(5 citation statements)

References 49 publications

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“…Due to the lack of detailed kinetic data, incorporating these reactions into the CFD model would be speculative and could undermine the model’s robustness. , Experimentally determined concentrations of H 2 O 2 , HO·, and aqueous O 3 were 4.70 × 10 –4 , 1.15 × 10 –13 , and 4.20 × 10 –6 mol/L, respectively . This approach, validated in other CFD modeling studies, is reliable and applicable. ,, Research has shown that the concentration of HO· reaches a pseudosteady state when its decomposition rate equals its production rate. ,, This constant concentration simplifies the model while ensuring accurate and meaningful results in mass transfer.…”

Section: Methodsmentioning

confidence: 86%

“…19 This approach, validated in other CFD modeling studies, is reliable and applicable. 19,36,37 Research has shown that the concentration of HO• reaches a pseudosteady state when its decomposition rate equals its production rate. 18,22,38 This constant concentration simplifies the model while ensuring accurate and meaningful results in mass transfer.…”

Section: ■ Methodsmentioning

confidence: 99%

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Effect of Microplastics on the Flow-Through Electro-Peroxone Process: A Computational Fluid Dynamics Simulation

Yao,

Li,

Qiu

et al. 2024

ACS EST Water

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Current research on advanced oxidation processes often focuses on removing individual organic contaminants, sometimes overlooking the impact of microplastics (MPs) on mass transfer. Real-time and precise monitoring through experimental measurements is challenging. In this study, we used computational fluid dynamics simulations to examine the effect of MPs on mass transfer in a flow-through electro-peroxone process. Our findings revealed that MPs decreased the concentration of hydroxyl radicals at the electrochemical cathode/solution interface. However, there was no significant impact on the concentrations and diffusion pathways of O 3 in the inlet gas phase and hydrogen peroxide on the electrochemical cathode surface. Additionally, the average size of MPs increased from 135.0 to 750.0 μm, and their count rose from 7474 to 10,924 particles/L. This was accompanied by increases in average turbulent kinetic energy and turbulent dissipation rate by 0.027 and 0.018 km 2 /s 2 , and 0.041 and 0.702 m 2 /s 3 , respectively. These changes suggested that the enlargement and increased count of MPs hindered liquid flow, reducing the efficiency of converting gaseous O 3 to aqueous O 3 . Consequently, this diminished the removal efficiency of pollutants in the electro-peroxone process. These insights are crucial for developing more efficient advanced oxidation processes for the simultaneous removal of MPs and pollutants.

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Section: Methodsmentioning

confidence: 86%

Section: ■ Methodsmentioning

confidence: 99%

Effect of Microplastics on the Flow-Through Electro-Peroxone Process: A Computational Fluid Dynamics Simulation

Yao,

Li,

Qiu

et al. 2024

ACS EST Water

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“…Numerical models based on integrated applications of computational fluid dynamics (CFD) and fluence rate (E’) field models provide another family of tools for the design and analysis of UV photoreactor behavior. − These tools allow an accurate calculation of the UV dose distribution delivered by a reactor as a function of operating conditions. When properly applied, the results of CFD-E’ model calculations can be integrated with the intrinsic kinetics of photochemical or photobiological reactions following the segregated flow model to yield accurate predictions of reactor performance. ,− ,− A drawback of CFD-E’ tools is the expertise required to conduct the simulations. Also, for large, complex UV photoreactor designs, simulations based on CFD-E’ models can require considerable CPU time and memory.…”

Section: Introductionmentioning

confidence: 99%

Dose Distribution Scaling and Validation of Ultraviolet Photoreactors Using Dimensional Analysis

Sangwan,

Ahmed,

Blatchley

2023

Environ. Sci. Technol.

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Ultraviolet (UV) disinfection is commonly applied in the treatment of drinking water and wastewater. The performance of UV disinfection systems is governed by the UV dose distribution delivered to the fluid, which is an intrinsic characteristic of the reactor under a given operating condition. Current design and validation approaches are based on empirical methods that are expensive to apply and provide limited information about the UV photoreactor behavior. To address this issue, a dose distribution scaling method was developed based on dimensional analysis (i.e., application of the Buckingham-π theorem). Three dimensionless groups representing UV dose, reactor geometry, and UV absorption behavior were defined. Using these groups, the approach was applied for the analysis of 15 operating conditions, defined by process variables of volumetric flow rate, UV transmittance, and lamp power. The approach was demonstrated to allow scaling of the dose distribution with these critical, dimensionless variables and yielded close agreement between predictions of disinfection efficacy against MS2 and E. coli based on the scaling approach with conventional CFD-E’ modeling results. The approach thus provides a low-cost, rapid method for predicting the performance of UV disinfection systems across a wide range of operating conditions and against essentially any microbial challenge agent.

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“…Microreactors have outstanding advantages in the field of photocatalysis. Based on the advantages of microreactors, spiral microchannels can improve the mixing characteristics inside the microchannels through the secondary flow (Dean vortex) caused by the spiral shape, which can further enhance the mass transfer. , Peralta Muniz Moreira et al revealed that photochemical peroxidation degradation of micropollutants in spiral microcapillary membranes can strongly promote radial mixing through computational fluid dynamics, thereby increasing the mass transfer and removal rate of micropollutants . In addition, the enhanced mixing can keep the catalyst particles in a good suspended state, which can provide more reaction surface area .…”

Section: Introductionmentioning

confidence: 99%

“…21,22 Peralta Muniz Moreira et al revealed that photochemical peroxidation degradation of micropollutants in spiral microcapillary membranes can strongly promote radial mixing through computational fluid dynamics, thereby increasing the mass transfer and removal rate of micropollutants. 23 In addition, the enhanced mixing can keep the catalyst particles in a good suspended state, which can provide more reaction surface area. 9 In summary, the spiral microchannel reactor has the advantages of fast mass transfer rate and good light conditions for the degradation of OTC in slurry systems.…”

Section: Introductionmentioning

confidence: 99%

Study on High-Efficiency Photocatalytic Degradation of Oxytetracycline Based on a Spiral Microchannel Reactor

Jia

Jin

et al. 2021

Ind. Eng. Chem. Res.

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In this work, a spiral microchannel reactor was used to study the photocatalytic degradation process of oxytetracycline (OTC) in a titanium dioxide (TiO2) slurry system. The influence of parameters such as residence time, TiO2 dosage, OTC concentration, light intensity, and concentration of added ions (NO3 –, SO4 2–, Ca2+, Fe3+) on OTC removal was systematically investigated, and the degradation stability of OTC in the microreactor was evaluated. The results show that under the best experimental conditions, the degradation rate of OTC can reach 99.33%, the initial stage apparent reaction rate constant is 7.7124 min–1, and the space–time yield is 142.79 m3 pollutants/(m3 reactor day). In addition, the results prove the high efficiency and stability of OTC degradation in the microreactor. OTC can be efficiently degraded under high TiO2 dosage, high initial OTC concentration, and low light intensity, which demonstrates the outstanding advantages of spiral microchannels for OTC degradation in slurry systems. This study has a guiding significance for the efficient photocatalytic degradation of tetracycline antibiotics in slurry systems.

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CFD modeling of pharmaceuticals and CECs removal by UV/H2O2 process in helical microcapillary photoreactors and evaluation of OH radical rate constants

Cited by 16 publications

References 49 publications

Effect of Microplastics on the Flow-Through Electro-Peroxone Process: A Computational Fluid Dynamics Simulation

Effect of Microplastics on the Flow-Through Electro-Peroxone Process: A Computational Fluid Dynamics Simulation

Dose Distribution Scaling and Validation of Ultraviolet Photoreactors Using Dimensional Analysis

Study on High-Efficiency Photocatalytic Degradation of Oxytetracycline Based on a Spiral Microchannel Reactor

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