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.
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Abbreviations
- A :
-
interface area, m2
- c :
-
molar concentration, mol · m−3
- D :
-
diffusion coefficient, m2 · s−1
- d e :
-
equivalent diameter, mm
- E :
-
enhancement factor, dimensionless
- F s :
-
external body forces, N
- g :
-
gravity acceleration, m · s−2
- H cp :
-
Henry’s law constant, mol · m−3 · Pa−1
- Ha :
-
Hatta number, dimensionless
- j :
-
mass diffusion flux, kg · m−2 · s−1
- K :
-
kinetic constant, m3 · kmol−1 · s−1
- k :
-
mass transfer coefficient, m · s−2
- ṁ :
-
mass flux per control volume, kg · m−3 · s−1
- p :
-
pressure, N · m−2
- R :
-
chemical consumption rate, kmol · m−3 · s−1
- t :
-
time, s
- u :
-
velocity vector, m · s−1
- u g0 :
-
initial gas velocity, m · s−1
- V cell :
-
control volume, m3
- Y :
-
mass fraction, dimensionless
- μ :
-
dynamic viscosity, kg · m−1 · s−1
- r :
-
density, kg · m−3
- a :
-
volume fraction per control volume, dimensionless
- g :
-
gas phase
- l :
-
liquid phase
- b :
-
bubble
References
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
Qiu L, Zhang R, Zhang Y, Li C, Zhang Q, Zhou Y. Super-hydrophobic, 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
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
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
Bhatti Z I, Toda H, Furukawa K. p-Nitrophenol degradation by activated sludge attached on nonwovens. Water Research, 2002, 36(5): 1135–1142
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
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
Arnold M, Batista J, Dickenson E, Gerrity D. Use of ozonebiofiltration for bulk organic removal and disinfection byproduct mitigation in potable reuse applications. Chemosphere, 2018, 202: 228–237
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
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
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
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
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
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
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
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
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
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
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
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
Zhou H, Smith W D. Process parameter development for ozonation of kraft pulp mill effluents. Water Science and Technology, 1997, 35(2): 251–259
Cruz-Alcalde A, Esplugas S, Sans C. Abatement of ozonerecalcitrant micropollutants during municipal wastewater ozonation: kinetic modelling and surrogate-based control strategies. Chemical Engineering Journal, 2019, 360: 1092–1100
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
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
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
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
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
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
Flores-Payan V, Herrera-Lopez E J, Navarro-Laboulais J, LopezLopez 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
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
Kendoush A A. Heat, mass, and momentum transfer to a rising ellipsoidal bubble. Industrial & Engineering Chemistry Research, 2007, 46(26): 9232–9237
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
Nedeltchev S. Theoretical prediction of mass transfer coefficients in both gas-liquid and slurry bubble columns. Chemical Engineering Science, 2017, 157: 169–181
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
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
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
Sander R. Compilation of Henry’s law constants (version 4.0) for water as solvent. Atmospheric Chemistry and Physics, 2015, 15(8): 4399–4981
Beltrán F J, Gómez-Serrano V, Durán A. Degradation kinetics of p-nitrophenol ozonation in water. Water Research, 1992, 26(1): 9–17
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
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).
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Numerical modeling of mass transfer processes coupling with reaction for the design of the ozone oxidation treatment of wastewater
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Li, H., Yi, F., Li, X. et al. Numerical modeling of mass transfer processes coupling with reaction for the design of the ozone oxidation treatment of wastewater. Front. Chem. Sci. Eng. 15, 602–614 (2021). https://doi.org/10.1007/s11705-020-1963-4
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DOI: https://doi.org/10.1007/s11705-020-1963-4