Modeling hydroxyl radical distribution and trialkyl phosphates oxidation in UV - H2O2 photoreactors using computational fluid dynamics

Environmental Science and Technology

Volumn 44, Issue 16, 2010, Pages 6233-6241

  Santoro, Domenico ^a   Raisee, Mehrdad ^b   Moghaddami, Mostafa ^b   Ducoste, Joel ^c   Sasges, Micheal ^a   Liberti, Lorenzo ^d   Notarnicola, Michele ^d  

^a UNIVERSITY OF WESTERN ONTARIO   (Canada)

^b UNIVERSITY OF TEHRAN   (Iran)

^c North Carolina State University   (United States)

^d POLITECNICO DI BARI   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

ADVANCED OXIDATION PROCESS; CFD SIMULATIONS; COST-EFFECTIVE SOLUTIONS; CROSS FLOWS; DIFFUSION CONTROLLED REACTIONS; DOSE DISTRIBUTIONS; EXPERIMENTAL DATA; HYDROXYL RADICALS; KINETIC MODELING; KINETIC MODELS; LAMINAR FLOW REGIMES; PHOTOCHEMICAL PROCESS; PHOTOREACTORS; REACTOR ENGINEERING; RECIRCULATION ZONES; REYNOLDS-AVERAGED NAVIER-STOKES EQUATIONS; SPATIAL VISUALIZATION; TRIALKYL PHOSPHATE; TRIBUTYL PHOSPHATE; ULTRA-VIOLET LIGHT; UV DOSE; UV LAMPS; WATER AND WASTEWATER TREATMENTS;

DATA VISUALIZATION; FLUID DYNAMICS; HYDROGEN PEROXIDE; LAMINAR FLOW; NAVIER STOKES EQUATIONS; OXIDATION; PARALLEL FLOW; PHOSPHATES; RATE CONSTANTS; ULTRAVIOLET RADIATION; VISUALIZATION; WASTEWATER; WASTEWATER TREATMENT;

COMPUTATIONAL FLUID DYNAMICS;

HYDROGEN PEROXIDE; HYDROXYL RADICAL; ORGANOTIN COMPOUND; PHOSPHATE; RADIOPROTECTIVE AGENT; TRI(2 CHLOROETHTYL) PHOSPHATE; TRIBUTYL PHOSPHATE; UNCLASSIFIED DRUG;

COMPUTATIONAL FLUID DYNAMICS; HYDROGEN PEROXIDE; HYDROXYL RADICAL; LAMINAR FLOW; NAVIER-STOKES EQUATIONS; OXIDATION; PHOSPHATE (ORGANIC); PHOTOCHEMISTRY; REACTION RATE; REYNOLDS NUMBER; TURBULENT FLOW; ULTRAVIOLET RADIATION;

ARTICLE; CHEMICAL REACTION; COMPUTATIONAL FLUID DYNAMICS; CONTROLLED STUDY; DIFFUSION; FIELD EMISSION; KINETICS; LAMINAR FLOW; MODEL; OXIDATION; PHOTOREACTIVATION; POLLUTANT; SIMULATION; ULTRAVIOLET RADIATION;

COMPUTER SIMULATION; DOSE-RESPONSE RELATIONSHIP, RADIATION; ESTERS; HYDROGEN PEROXIDE; HYDROXYL RADICAL; KINETICS; MODELS, CHEMICAL; OXIDATION-REDUCTION; PHOSPHATES; PHOSPHORIC ACID ESTERS; REPRODUCIBILITY OF RESULTS; RHEOLOGY; ULTRAVIOLET RAYS;

EID: 77956533355     PISSN: 0013936X     EISSN: 15205851     Source Type: Journal    
DOI: 10.1021/es1000962     Document Type: Article

References (34)

1. Asano, T.; Burton, F.; Leverenz, H.; Tsuchihashi, R.; Tchobanoglous, G. Water Reuse: Issues, Technologies, and Applications; Metcalf & Eddy/AECOM Press & McGraw Hill Professional: 2007.
2. Stefan, M. I.; Hoy, A. R.; Bolton, J. R. Kinetics and Mechanism of the Degradation and Mineralization of Acetone in Dilute Aqueous Solution Sensitized by the UV Photolysis of Hydrogen Peroxide. Environ. Sci. Technol. 1996, 30 (7), 2382-2390.
3. 2/UV process in a completely mixed batch reactor. Water Res. 1999, 33, 2315-2328.
4. Watts, M. J.; Linden, K. G. Photooxidation and subsequent biodegradability of recalcitrant tri-alkyl phosphates TCEP and TBP in water. Water Res. 2008, 42 (20), 4949-4954.
5. Bolton, J. R. Calculation of ultraviolet fluence rate distributions in an annular reactor: significance of refraction and reflection. Water Res. 2000, 34 (13), 3315-3324.
6. Liu, D.; Ducoste, J.; Jin, S.; Linden, K. Evaluation of Alternative Fluence Rate Distribution Models. J. Water Supply: Res. Technol.-AQUA 2004, 53 (6), 391-408.
7. Sasges, M. R.; van der Pol, A.; Voronov, A.; Robinson, J., A Standard Method for Quantifying the Output of UV Lamps. In International Ozone Association Joint Congress; International UV Association: 2007.
8. Sozzi, D. A.; Taghipour, F. Computational and experimental study of annular photo-reactor hydrodynamics. Int. J. Heat Fluid Flow 2006, 27 (6), 1043-1053.
9. Liu, D.; Wu, C.; Linden, K.; Ducoste, J. Numerical simulation of UV disinfection reactors: Evaluation of alternative turbulence models. Appl. Math. Modell. 2007, 31 (9), 1753-1769.
10. Shao, L. Degradation of 4TBP by AOP, UV Reactor Modeling and Validation, Master Thesis, Delft University of Technology, 2007.
11. Hofman, J.; Shao, L.; Wols, B.; Uijttewaal, W.; Pelaar, G. I. J.; Beerendonk, E.; van Dijk, H., Design of UV reactors by, C. F. D.: Model Development and Experimental Validation. In Proceedings of the COMSOL Users Conference, Grenoble, 2007.
12. Alpert, S.; Knappe, D.; Ducoste, J. J. Modeling of UV/Hydrogen Peroxide Advanced Oxidation Processes using Computational Fluid Dynamics. Water Res. 2010, 44 (6), 1797-1808.
13. Elyasi, S.; Taghipour, F. Simulation of UV Photoreactor for Degradation of Chemical Contaminants: Model Development and Evaluation. Environ. Sci. Technol. 2010, 44 (6), 2056-2063.
14. Reemtsma, T.; Weiss, S.; Mueller, J.; Petrovic, M.; Gonzalez, S.; Barcelo, D.; Ventura, F.; Knepper, T. P. Polar Pollutants Entry into the Water Cycle by Municipal Wastewater: A European Perspective. Environ. Sci. Technol. 2006, 40 (17), 5451-5458.
15. Kolpin, D. W.; Furlong, E. T.; Meyer, M. T.; Thurman, E. M.; Zaugg, S. D.; Barber, L. B.; Buxton, H. T. Pharmaceuticals, Hormones, and Other Organic Wastewater Contaminants in U.S. Streams, 1999-2000: A National Reconnaissance. Environ. Sci. Technol. 2002, 36 (6), 1202-1211.
16. Li, K.; Crittenden, J. C.; Hand, D. W.; Hokanson, D. R. Advanced Oxidation Process Simulation Software (AdOx) Manual, Version 1.0; Michigan Technological University: 2002.
17. Baxendale, J. H.; Wilson, J. A. The photolysis of hydrogen peroxide at high light intensities. Trans. Faraday Soc. l957, 53, 344-356.
18. Buxton, G. V.; Greenstock, C. L.; Helman, W. P.; Ross, A. B. Critical review of rate constants for reactions of hydrated electrons, hydrogen atoms and hydroxyl radicals in aqueous solution. J. Phys. Chem. Ref. Data 1988, 17 (2), 513-886.
19. Christensen, H. S.; Sehensted, H.; Corfitzan, H. Reactions of hydroxyl radicals with hydrogen peroxide at ambient and elevated temperatures. J. Phys. Chem. 1982, 86, 55-68.
20. Koppenol, W. H.; Butler, J.; Van Leeuwen, J. W. The Haber-Weiss cycle. Photochem. Photobiol. 1978, 28 (4-5), 655-660.
21. - radicals with hydrogen peroxide. The Haber-Weiss reaction. J. Am. Chem. Soc. 1979, 101 (1), 58-62.
22. Draganic, Z. D.; Negron-Mendoza, A.; Sehested, K.; Vujosevic, S. I.; Navarro-Gonzales, R.; Albarran-Sanchez, M. G.; Draganic, I. G. Radiolysis ofaqueous solutions ofammonium bicarbonate over a large dose range. Radiat. Phys. Chem. 1991, 383, 21-317.
23. + from hydrogen peroxide formation in pulse-irradiated oxygenated water. J. Phys. Chem. 1968, 72 (2), 626-631.
24. - radicals in aqueous solution. J. Phys. Chem. Ref. Data 1985, 14 (4), 1041-1100.
25. Beck, G. Elektrishe leitfaehigkeits messungen zum nachweis geladener zwischenprodukte der pulsaradiolyse. Int. J. Radiat. Phys. Chem. 1969, 1 (3), 361-371.
26. Holeman, J.; Bjergbakke, E.; Sehested, K. The importance of radical-radical reactions in pulse radiolysis of aqueous carbonate/bicarbonate. Proc. Tihany Symp. Radiat. Chem. 1987, 61, 53-149.
27. Eriksen, T. E.; Lind, J.; Merenyi, G. On the acid-base equilibrium of the carbonate radical. Radiat. Phys. Chem. 1985, 26 (2), 197-199.
28. Huie, R. E.; Clifton, C. L. Temperature dependence of the rate constants for reactions of the sulfate radical, SO4-, with anions. J. Phys. Chem. 1990, 94 (23), 8561-8567.
29. Watts, M. J.; Linden, K. G. Advanced Oxidation Kinetics of Aqueous Trialkyl Phosphate Flame Retardants and Plasticizers. Environ. Sci. Technol. 2009, 43 (8), 2937-2942
30. Stumm, W.; Morgan, J. J. Aquatic Chemistry; Prentice-Hall: Engelwood, NJ, 1996
31. Perry, R. H.; Green, D. W.; Maloney, J. D. Perry's Chemical Engineers' Handbook, 5th ed.; McGraw-Hill: New York, 1981.
32. Modest, M. F. Radiative Heat Transfer; Series in Mechanical Engineering, McGraw-Hill: 1993.
33. Wright, H. B.; Lawryshyn, Y. A. An Assessment ofthe Bioassay Concept for UV Reactor Validation. In Proceedings of the Water Environment Federation; 2000; pp 378-400.
34. Patankar, S. V. Numerical Heat Transfer and Fluid Flow; Hemisphere Publishing: McGraw Hill: 1980.