Home Mathematical model involving chemical reaction and mass transfer for the ozonation of dimethyl phthalate in water in a bubble column reactor
Article
Licensed
Unlicensed Requires Authentication

Mathematical model involving chemical reaction and mass transfer for the ozonation of dimethyl phthalate in water in a bubble column reactor

  • Jianbing Wang EMAIL logo , Zhilin Xia , Zuhai Cao , Shaoxia Yang and Wanpeng Zhu
Published/Copyright: February 7, 2017
Become an author with De Gruyter Brill
Author Information
Journal of Advanced Oxidation Technologies
From the journal Journal of Advanced Oxidation Technologies Volume 20 Issue 1

Abstract

This research investigated the establishment of a mathematical model for the ozonation of dimethyl phthalate (DMP) through the analysis of the mass transfer and reactions in a semi-batch bubble column reactor. Negative step tracer experiments were conducted with ozone as a tracer, which indicated that the gas phase is perfectly well mixed at the gas flow rate of 400 mL/min. Based on the results from ozone absorption experiments the mass transfer coefficient of ozone was determined to be 0.0054 s−1. The measured stoichiometry ratio of the direct reaction between ozone and DMP was about 5. The calculated rate constant was 0.87 L/(mol·s) for the direct reaction between ozone and DMP. A mathematical model was established based on the component mass balance in the reaction system involving the direct and indirect reactions and mass transfer between gas and liquid phases enhanced by the chemical reactions. The model can predict the removal of DMP for the early stage of the ozonation process well. At the latter stage, the predicated removals deviated from the measured results mainly due to the consumption of ozone by side reactions.

Keywords: ozonation; reaction kinetics; mass transfer; phase flow pattern; prediction

Acknowledgements

Thanks are given to the National Natural Science Foundation of China (Project No. 20907072) for the financial support of this work.

References

1. Li L, Ye W, Zhang Q, Sun F, Lu P. J Hazard Mater. 2009;411:170.Search in Google Scholar

2. Yang YH, Fu JM, Sheng GY. Acta Scientiae Circumstantiae. 1998;271:18.Search in Google Scholar

3. Staples CA, Peterson DR, Parkerton TF, Adams WJ. Chemosphere. 1997;667:35.Search in Google Scholar

4. Xu ZW, Zhang WM, Lv L, Pan BC, Lan P. Environ Sci Technol. 2010;3130:44.Search in Google Scholar

5. Chang CC, Chiu CY, Chang CY, Chang CF, Chen YH. J Hazard Mater. 2009;287:161.Search in Google Scholar

6. Wen G, Ma J, Liu ZQ, Zhao L. J Hazard Mater. 2011;371:195.Search in Google Scholar

7. Huang RH, Yan HH, Li LS, Deng DY, Shu YH, Zhang QY. Appl Catalysis B Environ. 2011;264:106.Search in Google Scholar

8. Zhao XK, Yang GP, Wang YJ, Gao XC. J Photochem Photobiology A Chem. 2004;215:161.Search in Google Scholar

9. Xu L, Yang X, Guo YH, Ma FY, Guo YN, Yuan X. J Hazard Mater. 2010;1070:178.Search in Google Scholar

10. de Oliveira TF, Cagnon B, Chedeville O, Fauduet Henri. Desalin Water Treat. 2014;4395(52):22–24.Search in Google Scholar

11. Balabanič D, Hermosilla D, Merayo N, Aleksandra Krivograd Klemenčič, Blanco Ángeles. J Environ Sci Health A. 2012;1350(10):47.Search in Google Scholar

12. Aboussaoud W, Manero MH, Pic JS, Debellefontaine H. Ozone Sci Eng. 2014;221(3):36.Search in Google Scholar

13. Fernando JB, Beltrán FJ. Ozone reaction kinetics for water and wastewater systems. Boca Raton. FL.USA: CRC Press LLC; 2005:215–220.Search in Google Scholar

14. Rischbieter E, Stein H, Schumpe A. J Chem Eng Data. 2000;338:45.Search in Google Scholar

15. Hopkins ZR, Blaney L. Sci Total Environ. 2014;337:468.Search in Google Scholar

16. Tizaoui C, Grima N. Chem Eng. 2011;463:173.Search in Google Scholar

17. Hamdi EL, Najjar N, Touffet A, Deborde M, Journel R. Chemosphere. 2013;604:93.Search in Google Scholar

18. Benitez FJ, Acero JL, Garcia-Reyes JF, Real FJ, Roldan G. Chem Eng J. 2013;447:230.Search in Google Scholar

19. Chelme-Ayala P, El-Din MG, Smith DW, Adams CD. Water Res. 2011;2517:45.Search in Google Scholar

20. Benbelkacem H, Debellefontaine H. Chem Eng Process. 2003;723(10):42.Search in Google Scholar

21. Do-Quang Z, Roustan M, Duguet JP. Ozone Sci Eng. 2000;99(1):22.Search in Google Scholar

22. López-López A, J S P, Debellefontaine H. Chemosphere. 2007;2120(11):66.Search in Google Scholar

23. Bader H, Hoigné J. Water Res. 1981;449:15.Search in Google Scholar

24. Beltrán FJ, Rivas J, Álvarez P, Acedo B. J Environ Sci Health. 2000;701:35.Search in Google Scholar

25. Zhou YR, Zhu WP, Liu FD, Wang JB, Yang SX. Chemosphere. 2007;145:66.Search in Google Scholar

26. An TC, Gao YP, Li GY, Kamat PV, Peller J. Environ Sci Technol. 2014;641(1):48.Search in Google Scholar

27. Qiu YQ, Kuo CH, Zappi ME. Environ Sci Technol. 2001;209:35.Search in Google Scholar

28. Popovic MK, Robinson CW. AIChE J. 1989;393:35.Search in Google Scholar

29. Akita K. Akiyomi. Int Chem Eng. 1989;127:29.Search in Google Scholar

30. Mehta YM, George CE, Kuo CH. Can J Chem Eng. 1989;118:67.Search in Google Scholar

31. Kuo CH. Environ Prog. 1982;189:1.Search in Google Scholar

32. Zhao W, Liu F, Yang Y, Tan M, Zhao D. J Hazard Mater. 2011;526(1):187.Search in Google Scholar

Nomenclature

CDMPConcentration of DMP in liquid phase
CDMP,0Initial concentration of DMP in liquid phase
CHOConcentration of HO· in liquid phase
CO3IInterfacial concentration of ozone in the gas-liquid film (mol/L)
CO3GConcentration of ozone in gas phase (mol/L)
CO3G∗Gas-phase concentration of ozone at the reactor inlet (mol/L)
CO3LConcentration of ozone in aqueous phase
CO3(t)Concentration of tracer (ozone) at time t
CO30Concentration of tracer (ozone) at initial time
CPiConcentrations of the products in liquid phase
CTBAConcentrations of the scavengers in liquid phase
DTDiameter of the bubble column (m)
DDMPDiffusion coefficient of DMP in water (cm2/s)
DO3Diffusion coefficient of ozone in water(cm2/s)
EEnhancement factor
E(t)Residence time distribution function, E(t)=dF(t)dt
F(t)Evolution of dimensionless tracer (ozone) concentration，F(t)=CO3t/CO30
HTHeight of liquid in the bubble column with aeration (m)
H0Height of liquid in the bubble column without aeration (m)
NNumber of tanks in series
NO3LMolar flux of ozone diffusing from the outer edge of a liquid element (film) to the main liquid (M/(m2·s))
NO30Molar flux of ozone diffusing from the gas into the interface (M/(m2·s))
QGas flow rate (m3/s)
SROzone solubility rate
TTemperature of the solution (K)
VDMPMolar volume of DMP in the solution, 214.6 cm3/mol
aSpecific interfacial area between gas and liquid phases (m2/m3)
kDMP−HO.Rate constant for the reaction between DMP and hydroxyl radical
kLChemical mass transfer coefficient of ozone (m/s)
kLaVolumetric mass transfer coefficient of ozone in water (s−1)
kL0Physical mass transfer coefficient of ozone (m/s)
kO3−DMPSecond-order rate constant for the reaction between ozone and DMP (L/(mol·s))
kPiRate constant for the reaction between the products and hydroxyl radical
kTBARate constant for the reaction between the scavengers and hydroxyl radical
kdFirst-order rate constant for the self-decomposition of ozone (s−1)
k1Rate constant for the reaction between O3 and OH−, 70 M−1S−1
rStoichiometry of the reaction between ozone and DMP
tTime (s)
tmMean residence time of the actual distribution function (s), tm=∫0∞tE(t)dt
ugSuperficial gas velocity (m/s), ug=4QπDT2
βGas holdup, β=HT−H0HT
ηRatio of molar fluxes of ozone
μViscosity of water (Pa·s)
σVariance of distribution, σ2=∫0∞(t−τ)2E(t)dt
τiHydraulic residence time of the ith tank (s)
Received: 2016-1-11
Revised: 2016-7-26
Accepted: 2016-9-22
Published Online: 2017-2-7
Published in Print: 2017-1-1

© 2017 by Walter De Gruyter GmbH

Articles in the same Issue

  2. Editorial: The importance of advanced oxidation processes in degrading persistent pollutants
  3. An overview on heterogeneous Fenton and photoFenton reactions using zerovalent iron materials
  4. Photooxidative Degradation of Pesticides in Water; Response Surface Modeling Approach
  5. The treatment of aniline in aqueous solutions by gamma irradiation
  6. Microwave regeneration of biological activated carbon
  7. Molecular iodine/aqueous NH4OAc: a green reaction system for direct oxidative synthesis of nitriles from amines
  8. Catalytic Degradation of Safranin T in Aqueous Medium Using Non-conventional Processes
  9. Oxidation of 1, 2-dichlorobenzene on a commercial V2O5-WO3/nano-TiO2 catalyst: Effect of HCl addition
  10. Current conduction mechanisms in thermal nitride and dry gate oxide grown on 4H-silicon carbide (SiC)
  11. Effect of light and oxygen on repetitive bacterial inactivation on uniform, adhesive, robust and stable Cu-polyester surfaces
  12. Wet oxidation of an industrial high concentration pharmaceutical wastewater using hydrogen peroxide as an oxidant
  13. Oxidation characteristics of heavy crude oil in ignition process
  14. Comparative studies on the performance of porous Ti/Sno2-Sb2O3/Pbo2 enhanced by CNT and Bi Co-doped electrodes for methyl orange oxidation
  15. Application of photocatalytic paint for destruction of benzo[a]pyrene. Impact of air humidity
  16. Spray-drying synthesis and characterization of Li4Ti5O12 anode material for lithium ion batteries
  17. Kinetics analysis of photocatalytic degradation of Acid Orange 7 by Co/N/Er3+: Y3Al5O12/TiO2 films
  18. Reaction characteristics of oxygen generation from plate-like potassium superoxide within a confined space
  19. Electrochemical reduction of CO2 on a Cu2O/polyaniline /stainless steel based electrode
  20. Role of oxygen-containing functional surface groups of activated carbons on the elimination of 2-hydroxybenzothiazole from waters in A hybrid heterogeneous ozonation system
  21. The degradation efficiency and mechanism of meclofenamic acid in aqueous solution by UV irradiation
  22. Effect of electrode oxide film in micro arc oxidation on water treatment
  23. Photocurrent response and photocatalytic activity of Nd-doped TiO2 thin films prepared by sol-gel method
  24. Mathematical model involving chemical reaction and mass transfer for the ozonation of dimethyl phthalate in water in a bubble column reactor
  25. Elimination of organic micro-contaminants in municipal wastewater by a combined immobilized biomass reactor and solar photo-Fenton tertiary treatment
  26. Degradation of catechol on BiOCl: charge transfer complex formation and photoactivity
  27. Photocatalytic degradation of phenol on strontium titanate supported on HZSM-5
  28. Selective Fenton-like catalytic oxidation of acid orange II on inorganic heterogeneous molecular imprinted catalysts
  29. Decoloration of azo dye methyl orange by a novel electro-Fenton internal circulation batch reactor
https://doi.org/10.1515/jaots-2016-0191
Keywords for this article
ozonation; reaction kinetics; mass transfer; phase flow pattern; prediction

Articles in the same Issue

  2. Editorial: The importance of advanced oxidation processes in degrading persistent pollutants
  3. An overview on heterogeneous Fenton and photoFenton reactions using zerovalent iron materials
  4. Photooxidative Degradation of Pesticides in Water; Response Surface Modeling Approach
  5. The treatment of aniline in aqueous solutions by gamma irradiation
  6. Microwave regeneration of biological activated carbon
  7. Molecular iodine/aqueous NH4OAc: a green reaction system for direct oxidative synthesis of nitriles from amines
  8. Catalytic Degradation of Safranin T in Aqueous Medium Using Non-conventional Processes
  9. Oxidation of 1, 2-dichlorobenzene on a commercial V2O5-WO3/nano-TiO2 catalyst: Effect of HCl addition
  10. Current conduction mechanisms in thermal nitride and dry gate oxide grown on 4H-silicon carbide (SiC)
  11. Effect of light and oxygen on repetitive bacterial inactivation on uniform, adhesive, robust and stable Cu-polyester surfaces
  12. Wet oxidation of an industrial high concentration pharmaceutical wastewater using hydrogen peroxide as an oxidant
  13. Oxidation characteristics of heavy crude oil in ignition process
  14. Comparative studies on the performance of porous Ti/Sno2-Sb2O3/Pbo2 enhanced by CNT and Bi Co-doped electrodes for methyl orange oxidation
  15. Application of photocatalytic paint for destruction of benzo[a]pyrene. Impact of air humidity
  16. Spray-drying synthesis and characterization of Li4Ti5O12 anode material for lithium ion batteries
  17. Kinetics analysis of photocatalytic degradation of Acid Orange 7 by Co/N/Er3+: Y3Al5O12/TiO2 films
  18. Reaction characteristics of oxygen generation from plate-like potassium superoxide within a confined space
  19. Electrochemical reduction of CO2 on a Cu2O/polyaniline /stainless steel based electrode
  20. Role of oxygen-containing functional surface groups of activated carbons on the elimination of 2-hydroxybenzothiazole from waters in A hybrid heterogeneous ozonation system
  21. The degradation efficiency and mechanism of meclofenamic acid in aqueous solution by UV irradiation
  22. Effect of electrode oxide film in micro arc oxidation on water treatment
  23. Photocurrent response and photocatalytic activity of Nd-doped TiO2 thin films prepared by sol-gel method
  24. Mathematical model involving chemical reaction and mass transfer for the ozonation of dimethyl phthalate in water in a bubble column reactor
  25. Elimination of organic micro-contaminants in municipal wastewater by a combined immobilized biomass reactor and solar photo-Fenton tertiary treatment
  26. Degradation of catechol on BiOCl: charge transfer complex formation and photoactivity
  27. Photocatalytic degradation of phenol on strontium titanate supported on HZSM-5
  28. Selective Fenton-like catalytic oxidation of acid orange II on inorganic heterogeneous molecular imprinted catalysts
  29. Decoloration of azo dye methyl orange by a novel electro-Fenton internal circulation batch reactor
Sign up now to receive a 20% welcome discount
Institutional Access
How does access work?
Have an idea on how to improve our website?
Please write us.
© 2025 De Gruyter Brill
Downloaded on 29.9.2025 from https://www.degruyterbrill.com/document/doi/10.1515/jaots-2016-0191/html
Scroll to top button