Use of CFD Tools for Modeling Real Pilot Plant Scale Reactors Applied to the Photo-Fenton Degradation of the Paracetamol

Authors

  • Leandro O. Conte Instituto de Desarrollo Tecnológico para la Industria Química (INTEC-UNL/CONICET) y Universidad Nacional del Litoral. Santa Fe, Argentina.
  • César M. Venier Instituto de Física de Rosario (IFIR/CONICET) y Universidad Nacional de Rosario. Rosario, Argentina.
  • Norberto M. Nigro Centro de Investigación de Métodos Computacionales (CIMEC- UNL/CONICET) y Universidad Nacional del Litoral. Santa Fe, Argentina.
  • Orlando M. Alfano Instituto de Desarrollo Tecnológico para la Industria Química (INTEC-UNL/CONICET) y Universidad Nacional del Litoral. Santa Fe, Argentina.

DOI:

https://doi.org/10.70567/mc.v41i19.101

Keywords:

OpenFOAM, Photo-Fenton, Pilot Plant Reactors, Paracetamol

Abstract

In this work, a detailed study associated with the photo-Fenton degradation of the drug Paracetamol (PCT) in a pilot plant reactor is presented, using Computational Fluid Dynamics (CFD) modeling. Specifically, an emission model for a cylindrical lamp was developed and implemented in the OpenFOAM(R) platform, coupled to a multicomponent reaction mixture model to simulate the evolution of the different reactive species in the reactor. After experimentally validating the model, the influence of main operating conditions, such as oxidizing agent (HP) dosing strategies, recirculation flow rate (Qr) and the lamp configuration used on the effectiveness of the system was investigated. It was shown that the use of HP dosing strategies significantly reduces reaction times. It was observed that the PCT degradation rate remains unchanged as Qr increases, which allows the system to operate with a lower recirculation flow rate than that used in the experimental tests. The developed model facilitates the identification of reaction conditions that maximize PCT conversion, optimizing HP use and decreasing energy consumption.

References

Alfano, O., Romero, R., Cassano, A. Radiation field modelling in photoreactors-I. Homogeneous media. Chemical Engineering Science. 41:421-444, 1986. https://doi.org/10.1016/0009-2509(86)87025-7

Audino, F., Conte, L., Schenone, A., Pérez-Moya, M., Graells, M., Alfano, O. A kinetic study for the Fenton and photo-Fenton paracetamol degradation in an annular photoreactor, Environmental Science Pollution Research. 26:4312-4323, 2019. https://doi.org/10.1007/s11356-018-3098-4

Boyjoo, Y., Ang, M., Pareek V. Some aspects of photocatalytic reactor modeling using computational fluid dynamics, Chemical Engineering Science. 101:764-784, 2013. https://doi.org/10.1016/j.ces.2013.06.035

Cassano, A., Martin, C., Brandi, R., Alfano, O. Photoreactor analysis and design: Fundamentals and applications. Industrial & Engineering Chemistry Research. 34:2155-2201, 1995. https://doi.org/10.1021/ie00046a001

Conte, L., Cotillas, S., Lorenzo, D., Bahamonde A., Santos, A. Solar-assisted oxidation of organochlorine pesticides in groundwater using persulfate and ferrioxalate. Environmental Pollution 343:123205, 2024. https://doi.org/10.1016/j.envpol.2023.123205

Fisher, E., and Curry, S. Evaluation and treatment of acetaminophen toxicity, Advances in Pharmacology. 85:263-272, 2019. https://doi.org/10.1016/bs.apha.2018.12.004

Gallego-Schmid, A., Tarpani, R., Miralles-Cuevas, S., Cabrera-Reina, A., Malato, S., Azapagic, A. Environmental assessment of solar photo-Fenton processes in combination with nanofiltration for the removal of micro-contaminants from real wastewaters. Science Total Environmental. 650:2210-2220, 2019. https://doi.org/10.1016/j.scitotenv.2018.09.361

Irazoqui, H., Cerdá, J., Cassano, A. Radiation profiles in an empty annular photoreactor with a source of finite spatial dimensions. American Institute of Chemical Engineers. 19:460-467, 1973. https://doi.org/10.1002/aic.690190307

Moreno-SanSegundo, J., Casado, C., Marugán, J. Enhanced numerical simulation of photocatalytic reactors with an improved solver for the radiative transfer equation. Chemical Engineering Journal. 388:124-183, 2020. https://doi.org/10.1016/j.cej.2020.124183

Patankar, S., Spalding, D. A calculation procedure for heat, mass and momentum transfer in three-dimensional parabolic flows, in: Numerical Prediction of Flow. International Journal of Heat Mass Transfer. Elsevier, 1983, pp. 54-73. https://doi.org/10.1016/B978-0-08-030937-8.50013-1

Song, H., Lin, Y., Han, X., Yang, D., Zhang, C., Sung, C. The thermoacoustic instability in a stratified swirl burner and its passive control by using a slope confinement. Energy, 195:116956, 2020. https://doi.org/10.1016/j.energy.2020.116956

Tong, K., Yang, L., Du, X., Yang, Y. Review of modeling and simulation strategies for unstructured packing bed photoreactors with CFD method. Renewable and Sustainable Energy Reviews. 131:109986, 2020. https://doi.org/10.1016/j.rser.2020.109986

Vo, N., Le, G., Nguyen, T., Bui, X., Nguyen, K., Rene, E., Vo, T., Cao, N., Mohan, R. Acetaminophen micropollutant: Historical and current occurrences, toxicity, removal strategies and transformation pathways in different environments. Chemosphere, 236:124391, 2019. https://doi.org/10.1016/j.chemosphere.2019.124391

Wee, Y., Aris, A., Yusoff, F., Praveena, S. Occurrence and risk assessment of multiclass endocrine disrupting compounds in an urban tropical river and a proposed risk management and monitoring framework. Science of Total Environmental. 671:431-44, 2019. https://doi.org/10.1016/j.scitotenv.2019.03.243

Weller, H., Tabor, G., Jasak, H., Fureby, C. A tensorial approach to computational continuum mechanics using object-oriented techniques. Computers in Physics. 12:620-631, 1998. https://doi.org/10.1063/1.168744

Yamal-Turbay, E., Ortega, E., Conte, L., Graells, M., Mansilla, H., Alfano, O., Pérez-Moya, M. Photonic efficiency of the photodegradation of paracetamol in water by the photo-Fenton process. Environmental Science Pollution Research. 22:938-945, 2015. https://doi.org/10.1007/s11356-014-2990-9

Yang, Y., Zhao, J., Liu, Liu, W., Zhang, Q., Yao, L., Hu, L., Zhang, J., Jiang, Y., Ying, G. Pharmaceuticals and personal care products (PPCPs) and artificial sweeteners (ASs) in surface and ground waters and their application as indication of wastewater contamination. Science of Total Environmental. 616:816-823, 2018. https://doi.org/10.1016/j.scitotenv.2017.10.241

Zhang, P., Zhou, H., Li, K., Zhao, X., Liu, Q., Li, D., Zhao, G. Occurrence of pharmaceuticals and personal care products, and their associated environmental risks in a large shallow lake in north China. Environmental Geochemistry and Health 40:1525-1539, 2018. https://doi.org/10.1007/s10653-018-0069-0

Published

2024-11-08

Issue

Section

Conference Papers in MECOM 2024

Most read articles by the same author(s)