Numerical modeling of mass transfer processes coupling with reaction for the design of the ozone oxidation treatment of wastewater

Abstract

A computational model for an ozone oxidation column reactor used in dyeing wastewater treatment is proposed to represent, simulate, and predict the ozone bubble process. Considering the hydrodynamics, mass transfer, and ozone oxidation reaction, coupling modeling can more realistically calculate the ozone oxidation bubble process than the splitting methods proposed in previous research. The modeling is validated and shows great consistency with experimental data. The verified model is used to analyze the effect of operating conditions, such as the initial gas velocity and the ozone concentration, and structural conditions, such as multiple gas inlets. The ozone consumption is influenced by the gas velocity and the initial ozone concentration. The ozone’s utilization decreases with the increasing gas velocity while nearly the same at different initial ozone concentrations. Simulation results can be used in guiding the practical operation of dyeing wastewater treatment and in other ozonation systems with known rate constants in wastewater treatment.

Graphical abstract

Keywords

ozone / wastewater treatment / numerical simulation / mass transfer

References

[1] Bourgin M, Borowska E, Helbing J, Hollender J, Kaiser H P, Kienle C, McArdell C S, Simon E, von Gunten U. Effect of operational and water quality parameters on conventional ozonation and the advanced oxidation process O₃/H₂O₂: kinetics of micropollutant abatement, transformation product and bromate formation in a surface water. Water Research, 2017, 122: 234–245

[2] Qiu L, Zhang R, Zhang Y, Li C, Zhang Q, Zhou Y. Superhydrophobic, mechanically flexible and recyclable reduced graphene oxide wrapped sponge for highly efficient oil/water separation. Frontiers of Chemical Science and Engineering, 2018, 12(3): 390–399

[3] Yang Y, Zhang H, Yan Y. Catalytic wet peroxide oxidation of m-cresol over novel Fe₂O₃ loaded microfibrous entrapped CNT composite catalyst in a fixed-bed reactor. Journal of Chemical Technology and Biotechnology (Oxford, Oxfordshire), 2018, 93(9): 2552–2563

[4] Yang Y, Zhang H, Yan Y. The preparation of Fe₂O₃-ZSM-5 catalysts by metal-organic chemical vapour deposition method for catalytic wet peroxide oxidation of m-cresol. Royal Society Open Science, 2018, 5(3): 171731

[5] Bhatti Z I, Toda H, Furukawa K. p-Nitrophenol degradation by activated sludge attached on nonwovens. Water Research, 2002, 36(5): 1135–1142

[6] Yan Y, Huang P, Zhang H. Preparation and characterization of novel carbon molecular sieve membrane/PSSF composite by pyrolysis method for toluene adsorption. Frontiers of Chemical Science and Engineering, 2019, 13(4): 772–783

[7] Matino I, Colla V, Branca T A. Extension of pilot tests of cyanide elimination by ozone from blast furnace gas washing water through Aspen Plus® based model. Frontiers of Chemical Science and Engineering, 2018, 12(4): 718–730

[8] Arnold M, Batista J, Dickenson E, Gerrity D. Use of ozone-biofiltration for bulk organic removal and disinfection byproduct mitigation in potable reuse applications. Chemosphere, 2018, 202: 228–237

[9] Yu J W, Jung G B, Chen C W, Yeh C C, Nguyen X V, Ma C C, Hsieh C W, Lin C L. Innovative anode catalyst designed to reduce the degradation in ozone generation via PEM water electrolysis. Renewable Energy, 2018, 129: 800–805

[10] Zhou H, Smith D W. Ozone mass transfer in water and wastewater treatment: experimental observations using a 2D laser particle dynamics analyzer. Water Research, 2000, 34(3): 909–921

[11] Yang Y, Zhang H, Yan Y. Preparation of novel iron-loaded microfibers entrapped carbon-nanotube composites for catalytic wet peroxide oxidation of m-cresol in a fixed bed reactor. Separation and Purification Technology, 2019, 212: 405–415

[12] Xiao Q, Wang J, Yang N, Li J. Simulation of the multiphase flow in bubble columns with stability-constrained multi-fluid CFD models. Chemical Engineering Journal, 2017, 329(Suppl C): 88–99

[13] Zhang J, Yu Y, Qu C, Zhang Y. Experimental study and numerical simulation of periodic bubble formation at submerged micron-sized nozzles with constant gas flow rate. Chemical Engineering Science, 2017, 168: 1–10

[14] Li H, Yi F, Li X, Pavlenko A N, Gao X. Numerical simulation for falling film flow characteristics of refrigerant on the smooth and structured surfaces. Journal of Engineering Thermophysics, 2018, 27(1): 1–19

[15] Zhang J, Huck P M, Anderson W B, Stubley G D. A computational fluid dynamics based integrated disinfection design approach for improvement of full-scale ozone contactor performance. Ozone Science and Engineering, 2007, 29(6): 451–460

[16] Zhang J, Tejada-Martinez A E, Zhang Q, Lei H. Evaluating hydraulic and disinfection efficiencies of a full-scale ozone contactor using a RANS-based modeling framework. Water Research, 2014, 52: 155–167

[17] Jia H W, Zhang P. Mass transfer of a rising spherical bubble in the contaminated solution with chemical reaction and volume change. International Journal of Heat and Mass Transfer, 2017, 110: 43–57

[18] Gong X, Takagi S, Huang H, Matsumoto Y. A numerical study of mass transfer of ozone dissolution in bubble plumes with an Euler-Lagrange method. Chemical Engineering Science, 2007, 62(4): 1081–1093

[19] Legendre D, Zevenhoven R. Detailed experimental study on the dissolution of CO₂ and air bubbles rising in water. Chemical Engineering Science, 2017, 158: 552–560

[20] Sebastia-Saez D, Gu S, Ranganathan P, Papadikis K. Micro-scale CFD modeling of reactive mass transfer in falling liquid films within structured packing materials. International Journal of Greenhouse Gas Control, 2015, 33: 40–50

[21] Zhou H, Smith W D. Process parameter development for ozonation of kraft pulp mill effluents. Water Science and Technology, 1997, 35(2): 251–259

[22] Cruz-Alcalde A, Esplugas S, Sans C. Abatement of ozone-recalcitrant micropollutants during municipal wastewater ozonation: kinetic modelling and surrogate-based control strategies. Chemical Engineering Journal, 2019, 360: 1092–1100

[23] Cheng Z, Yang B, Chen Q, Gao X, Tan Y, Ma Y, Shen Z. A quantitative-structure-activity-relationship (QSAR) model for the reaction rate constants of organic compounds during the ozonation process at different temperatures. Chemical Engineering Journal, 2018, 353: 288–296

[24] Cheng Z, Yang B, Chen Q, Tan Y, Gao X, Yuan T, Shen Z. 2D-QSAR and 3D-QSAR simulations for the reaction rate constants of organic compounds in ozone-hydrogen peroxide oxidation. Chemosphere, 2018, 212: 828–836

[25] Chu L B, Xing X H, Yu A F, Sun X L, Jurcik B. Enhanced treatment of practical textile wastewater by microbubble ozonation. Process Safety and Environmental Protection, 2008, 86(5): 389–393

[26] Kuosa M, Laari A, Kallas J. Determination of the Henry’s coefficient and mass transfer for ozone in a bubble column at different pH values of water. Ozone Science and Engineering, 2004, 26(3): 277–286

[27] Tiwari G, Bose P. Determination of ozone mass transfer coefficient in a tall continuous flow counter-current bubble contactor. Chemical Engineering Journal, 2007, 132(1-3): 215–225

[28] Modak S Y, Juvekar V A, Rane V C. Comparison of the single-bubble-class and modified two-bubble-class models of bubble column reactors. Chemical Engineering & Technology, 1994, 17(5): 313–322

[29] Flores-Payan V, Herrera-Lopez E J, Navarro-Laboulais J, Lopez-Lopez A. Parametric sensitivity analysis and ozone mass transfer modeling in a gas-liquid reactor for advanced water treatment. Journal of Industrial and Engineering Chemistry, 2015, 21: 1270–1276

[30] Kim J H, Tomiak R B, Mariñas B J. Inactivation of cryptosporidium oocysts in a pilot-scale ozone bubble-diffuser contactor. I: model development. Journal of Environmental Engineering, 2002, 128(6): 514–521

[31] Kendoush A A. Heat, mass, and momentum transfer to a rising ellipsoidal bubble. Industrial & Engineering Chemistry Research, 2007, 46(26): 9232–9237

[32] Zhang S, Lv Z Y, Muller D, Wozny G. PBM-CFD investigation of the gas holdup and mass transfer in a lab-scale internal loop airlift reactor. IEEE Access: Practical Innovations, Open Solutions, 2017, 5: 2711–2719

[33] Nedeltchev S. Theoretical prediction of mass transfer coefficients in both gas-liquid and slurry bubble columns. Chemical Engineering Science, 2017, 157: 169–181

[34] Cockx A, Do-Quang Z, Liné A, Roustan M. Use of computational fluid dynamics for simulating hydrodynamics and mass transfer in industrial ozonation towers. Chemical Engineering Science, 1999, 54(21): 5085–5090

[35] Nock W J, Heaven S, Banks C J. Mass transfer and gas-liquid interface properties of single CO₂ bubbles rising in tap water. Chemical Engineering Science, 2016, 140: 171–178

[36] Ozkan F, Wenka A, Hansjosten E, Pfeifer P, Kraushaar-Czarnetzki B. Numerical investigation of interfacial mass transfer in two phase flows using the VOF method. Engineering Applications of Computational Fluid Mechanics, 2016, 10(1): 100–110

[37] Sander R. Compilation of Henry’s law constants (version 4.0) for water as solvent. Atmospheric Chemistry and Physics, 2015, 15(8): 4399–4981

[38] Beltrán F J, Gómez-Serrano V, Durán A. Degradation kinetics of p-nitrophenol ozonation in water. Water Research, 1992, 26(1): 9–17

[39] Hoigné J, Bader H. Rate constants of reactions of ozone with organic and inorganic compounds in water—II: dissociating organic compounds. Water Research, 1983, 17(2): 185–194

[40] Gander W, Golub G H, Strebel R. Least-squares fitting of circles and ellipses. BIT Numerical Mathematics, 1994, 34(4): 558–578

Acknowledgements

The authors are grateful for the financial support from the National Key Research and Development Program of China (Grant No. 2018YFB0604900), and the Major Science and Technology Program for Water Pollution Control and Treatment (Grant No. 2015ZX07202-013).

Electronic Supplementary Material

Supplementary material is available in the online version of this article at https://doi.org/10.1007/s11705-020-1963-4 and is accessible for authorized users.

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