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Frontiers of Chemical Science and Engineering

ISSN 2095-0179

ISSN 2095-0187(Online)

CN 11-5981/TQ

邮发代号 80-969

2019 Impact Factor: 3.552

Frontiers of Chemical Science and Engineering  2021, Vol. 15 Issue (3): 602-614   https://doi.org/10.1007/s11705-020-1963-4
  本期目录
Numerical modeling of mass transfer processes coupling with reaction for the design of the ozone oxidation treatment of wastewater
Hong Li1,2, Fang Yi1,2, Xingang Li1,2, Xin Gao1,2()
1. School of Chemical Engineering and Technology, Tianjin University, Tianjin 300072, China
2. National Engineering Research Center of Distillation Technology, Collaborative Innovation Center of Chemical Science and Engineering (Tianjin), Tianjin 300072, China
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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.

Key wordsozone    wastewater treatment    numerical simulation    mass transfer
收稿日期: 2020-02-23      出版日期: 2021-05-10
Corresponding Author(s): Xin Gao   
 引用本文:   
. [J]. Frontiers of Chemical Science and Engineering, 2021, 15(3): 602-614.
Hong Li, Fang Yi, Xingang Li, Xin Gao. Numerical modeling of mass transfer processes coupling with reaction for the design of the ozone oxidation treatment of wastewater. Front. Chem. Sci. Eng., 2021, 15(3): 602-614.
 链接本文:  
https://academic.hep.com.cn/fcse/CN/10.1007/s11705-020-1963-4
https://academic.hep.com.cn/fcse/CN/Y2021/V15/I3/602
Fig.1  
Fig.2  
Dimension Bubble diameter/mm Bubble velocity/(m·s−1)
2D 3.0 0.25
3D 2.6 0.28
Tab.1  
Fig.3  
Initial velocity/(m·s−1) Average mass transfer coefficients Ha number
0.2 0.000486 10.05
0.4 0.000447 10.91
0.6 0.000431 11.32
Tab.2  
Fig.4  
Orifice spacing/mm 10 20 30 40 50
Time/s 0.7 1.3 2.7 2.9
Height/mm 36 88 202 214
Tab.3  
Fig.5  
Fig.6  
Fig.7  
Fig.8  
Fig.9  
Fig.10  
Fig.11  
Fig.12  
Initial gas velocity/(m·s−1) Initial ozone concentration
0.05 0.1 0.2 0.3
0.2 0.8603 0.8704 0.8682 0.8831
0.4 0.7556 0.7673 0.7533 0.7737
0.6 0.6557 0.6668
Tab.4  
Initial gas velocity/(m·s−1) Initial ozone concentration
0.05 0.1 0.2 0.3
0.2 0.8003 0.8079 0.8032 0.8078
0.4 0.7087 0.6909 0.6864 0.7057
0.6 0.5865 0.6103
Tab.5  
Initial gas velocity/(m·s−1) Initial ozone concentration
0.05 0.1 0.2 0.3
0.2 0.7146 0.7121 0.7049 0.7101
0.4 0.6122 0.5845 0.5840 0.6024
0.6 0.4988 0.5293
Tab.6  
A interface area, m2
c molar concentration, mol?m−3
D diffusion coefficient, m2?s−1
de equivalent diameter, mm
E enhancement factor, dimensionless
Fs external body forces, N
g gravity acceleration, m?s−2
Hcp 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
m ˙ 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
ug0 initial gas velocity, m?s−1
Vcell 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
  
1 M Bourgin, E Borowska, J Helbing, J Hollender, H P Kaiser, C Kienle, C S McArdell, E Simon, U von Gunten. 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
https://doi.org/10.1016/j.watres.2017.05.018
2 L Qiu, R Zhang, Y Zhang, C Li, Q Zhang, Y Zhou. 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
https://doi.org/10.1007/s11705-018-1751-6
3 Y Yang, H Zhang, Y Yan. 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
https://doi.org/10.1002/jctb.5609
4 Y Yang, H Zhang, Y Yan. 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
https://doi.org/10.1098/rsos.171731
5 Z I Bhatti, H Toda, K Furukawa. p-Nitrophenol degradation by activated sludge attached on nonwovens. Water Research, 2002, 36(5): 1135–1142
https://doi.org/10.1016/S0043-1354(01)00292-5
6 Y Yan, P Huang, H Zhang. 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
https://doi.org/10.1007/s11705-019-1827-y
7 I Matino, V Colla, T A Branca. 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
https://doi.org/10.1007/s11705-018-1771-2
8 M Arnold, J Batista, E Dickenson, D Gerrity. Use of ozone-biofiltration for bulk organic removal and disinfection byproduct mitigation in potable reuse applications. Chemosphere, 2018, 202: 228–237
https://doi.org/10.1016/j.chemosphere.2018.03.085
9 J W Yu, G B Jung, C W Chen, C C Yeh, X V Nguyen, C C Ma, C W Hsieh, C L Lin. Innovative anode catalyst designed to reduce the degradation in ozone generation via PEM water electrolysis. Renewable Energy, 2018, 129: 800–805
https://doi.org/10.1016/j.renene.2017.04.028
10 H Zhou, D W Smith. Ozone mass transfer in water and wastewater treatment: experimental observations using a 2D laser particle dynamics analyzer. Water Research, 2000, 34(3): 909–921
https://doi.org/10.1016/S0043-1354(99)00196-7
11 Y Yang, H Zhang, Y Yan. 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
https://doi.org/10.1016/j.seppur.2018.11.050
12 Q Xiao, J Wang, N Yang, J Li. Simulation of the multiphase flow in bubble columns with stability-constrained multi-fluid CFD models. Chemical Engineering Journal, 2017, 329(Suppl C): 88–99
https://doi.org/10.1016/j.cej.2017.06.008
13 J Zhang, Y Yu, C Qu, Y Zhang. 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
https://doi.org/10.1016/j.ces.2017.04.012
14 H Li, F Yi, X Li, A N Pavlenko, X Gao. Numerical simulation for falling film flow characteristics of refrigerant on the smooth and structured surfaces. Journal of Engineering Thermophysics, 2018, 27(1): 1–19
https://doi.org/10.1134/S1810232818010010
15 J Zhang, P M Huck, W B Anderson, G D Stubley. 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
https://doi.org/10.1080/01919510701613420
16 J Zhang, A E Tejada-Martinez, Q Zhang, H Lei. Evaluating hydraulic and disinfection efficiencies of a full-scale ozone contactor using a RANS-based modeling framework. Water Research, 2014, 52: 155–167
https://doi.org/10.1016/j.watres.2013.12.037
17 H W Jia, P Zhang. 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
https://doi.org/10.1016/j.ijheatmasstransfer.2017.02.095
18 X Gong, S Takagi, H Huang, Y Matsumoto. 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
https://doi.org/10.1016/j.ces.2006.11.015
19 D Legendre, R Zevenhoven. Detailed experimental study on the dissolution of CO2 and air bubbles rising in water. Chemical Engineering Science, 2017, 158: 552–560
https://doi.org/10.1016/j.ces.2016.11.004
20 D Sebastia-Saez, S Gu, P Ranganathan, K Papadikis. 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
https://doi.org/10.1016/j.ijggc.2014.11.019
21 H Zhou, W D Smith. Process parameter development for ozonation of kraft pulp mill effluents. Water Science and Technology, 1997, 35(2): 251–259
22 A Cruz-Alcalde, S Esplugas, C Sans. Abatement of ozone-recalcitrant micropollutants during municipal wastewater ozonation: kinetic modelling and surrogate-based control strategies. Chemical Engineering Journal, 2019, 360: 1092–1100
https://doi.org/10.1016/j.cej.2018.10.206
23 Z Cheng, B Yang, Q Chen, X Gao, Y Tan, Y Ma, Z Shen. 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
https://doi.org/10.1016/j.cej.2018.07.122
24 Z Cheng, B Yang, Q Chen, Y Tan, X Gao, T Yuan, Z Shen. 2D-QSAR and 3D-QSAR simulations for the reaction rate constants of organic compounds in ozone-hydrogen peroxide oxidation. Chemosphere, 2018, 212: 828–836
https://doi.org/10.1016/j.chemosphere.2018.08.097
25 L B Chu, X H Xing, A F Yu, X L Sun, B Jurcik. Enhanced treatment of practical textile wastewater by microbubble ozonation. Process Safety and Environmental Protection, 2008, 86(5): 389–393
https://doi.org/10.1016/j.psep.2008.02.005
26 M Kuosa, A Laari, J Kallas. 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
https://doi.org/10.1080/01919510490455746
27 G Tiwari, P Bose. Determination of ozone mass transfer coefficient in a tall continuous flow counter-current bubble contactor. Chemical Engineering Journal, 2007, 132(1-3): 215–225
https://doi.org/10.1016/j.cej.2006.12.025
28 S Y Modak, V A Juvekar, V C Rane. Comparison of the single-bubble-class and modified two-bubble-class models of bubble column reactors. Chemical Engineering & Technology, 1994, 17(5): 313–322
https://doi.org/10.1002/ceat.270170505
29 V Flores-Payan, E J Herrera-Lopez, J Navarro-Laboulais, A Lopez-Lopez. 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
https://doi.org/10.1016/j.jiec.2014.05.044
30 J H Kim, R B Tomiak, B J Mariñas. Inactivation of cryptosporidium oocysts in a pilot-scale ozone bubble-diffuser contactor. I: model development. Journal of Environmental Engineering, 2002, 128(6): 514–521
https://doi.org/10.1061/(ASCE)0733-9372(2002)128:6(514)
31 A A Kendoush. Heat, mass, and momentum transfer to a rising ellipsoidal bubble. Industrial & Engineering Chemistry Research, 2007, 46(26): 9232–9237
https://doi.org/10.1021/ie070687x
32 S Zhang, Z Y Lv, D Muller, G Wozny. 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
https://doi.org/10.1109/ACCESS.2017.2666542
33 S Nedeltchev. Theoretical prediction of mass transfer coefficients in both gas-liquid and slurry bubble columns. Chemical Engineering Science, 2017, 157: 169–181
https://doi.org/10.1016/j.ces.2016.06.047
34 A Cockx, Z Do-Quang, A Liné, M Roustan. Use of computational fluid dynamics for simulating hydrodynamics and mass transfer in industrial ozonation towers. Chemical Engineering Science, 1999, 54(21): 5085–5090
https://doi.org/10.1016/S0009-2509(99)00239-0
35 W J Nock, S Heaven, C J Banks. Mass transfer and gas-liquid interface properties of single CO2 bubbles rising in tap water. Chemical Engineering Science, 2016, 140: 171–178
https://doi.org/10.1016/j.ces.2015.10.001
36 F Ozkan, A Wenka, E Hansjosten, P Pfeifer, B Kraushaar-Czarnetzki. 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
https://doi.org/10.1080/19942060.2015.1061555
37 R Sander. Compilation of Henry’s law constants (version 4.0) for water as solvent. Atmospheric Chemistry and Physics, 2015, 15(8): 4399–4981
https://doi.org/10.5194/acp-15-4399-2015
38 F J Beltrán, V Gómez-Serrano, A Durán. Degradation kinetics of p-nitrophenol ozonation in water. Water Research, 1992, 26(1): 9–17
https://doi.org/10.1016/0043-1354(92)90105-D
39 J Hoigné, H Bader. Rate constants of reactions of ozone with organic and inorganic compounds in water—II: dissociating organic compounds. Water Research, 1983, 17(2): 185–194
https://doi.org/10.1016/0043-1354(83)90099-4
40 W Gander, G H Golub, R Strebel. Least-squares fitting of circles and ellipses. BIT Numerical Mathematics, 1994, 34(4): 558–578
https://doi.org/10.1007/BF01934268
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