Mechanism of Heterogeneous Mercury Oxidation by HBr over V2O5/TiO2 Catalyst

Environmental Science and Technology

Volumn 50, Issue 10, 2016, Pages 5398-5404

  Wang, Zhen ^a   Liu, Jing ^a   Zhang, Bingkai ^a   Yang, Yingju ^a   Zhang, Zhen ^a   Miao, Sen ^a  

^a HUAZHONG UNIVERSITY OF SCIENCE AND TECHNOLOGY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

CATALYSTS; DENSITY FUNCTIONAL THEORY; DISSOCIATION; ENERGY BARRIERS; MERCURY (METAL); OXIDATION; REACTION INTERMEDIATES; SELECTIVE CATALYTIC REDUCTION;

COAL-BURNING POWER PLANTS; DISSOCIATION ENERGIES; ELEY-RIDEAL MECHANISM; INTERACTION MECHANISMS; MERCURY OXIDATIONS; OXIDATION REACTIONS; REACTION MECHANISM; SELECTIVE CATALYTIC REDUCTION SYSTEMS;

CATALYTIC OXIDATION;

HYDROBROMIC ACID; MERCURY; TITANIUM DIOXIDE; VANADIUM; COAL;

CATALYST; DESORPTION; HETEROGENEITY; INORGANIC COMPOUND; MERCURY (ELEMENT); OXIDATION; POWER PLANT;

ADSORPTION; ARTICLE; CATALYST; CHEMICAL INTERACTION; CHEMICAL REACTION; COMPARATIVE STUDY; CONTROLLED STUDY; DENSITY FUNCTIONAL THEORY; DISSOCIATION; GEOMETRY; OXIDATION; PHASE TRANSITION; REACTION ANALYSIS; SURFACE PROPERTY; CATALYSIS; ELECTRIC POWER PLANT; OXIDATION REDUCTION REACTION;

CATALYSIS; COAL; MERCURY; OXIDATION-REDUCTION; POWER PLANTS;

EID: 84969786218     PISSN: 0013936X     EISSN: 15205851     Source Type: Journal    
DOI: 10.1021/acs.est.6b00549     Document Type: Article

References (45)

1. Liu, J.; Abanades, S.; Gauthier, D.; Flamant, G.; Zheng, C.; Lu, J. Determination of kinetic law for toxic metals release during thermal treatment of model waste in a fluid-bed reactor Environ. Sci. Technol. 2005, 39 (23) 9331-9336 10.1021/es051042w
2. 2 on mercury binding on carbonaceous surfaces Chem. Eng. J. 2012, 184, 163-167 10.1016/j.cej.2012.01.023
3. Kasey, P. EPA Issues Long-Expected Mercury Rule for Power Plants. State Journal (WV) 2011.
4. Galbreath, K. C.; Zygarlicke, C. J. Mercury speciation in coal combustion and gasification flue gases Environ. Sci. Technol. 1996, 30 (8) 2421-2426 10.1021/es950935t
5. Liu, J.; Qu, W.; Zheng, C. Theoretical studies of mercury-bromine species adsorption mechanism on carbonaceous surface Proc. Combust. Inst. 2013, 34 (2) 2811-2819 10.1016/j.proci.2012.07.028
6. 2 catalyst Catal. Commun. 2008, 9 (14) 2441-2444 10.1016/j.catcom.2008.06.010
7. Surnev, S.; Ramsey, M.; Netzer, F. Vanadium oxide surface studies Prog. Surf. Sci. 2003, 73 (4) 117-165 10.1016/j.progsurf.2003.09.001
8. Cao, Y.; Chen, B.; Wu, J.; Cui, H.; Smith, J.; Chen, C. K.; Chu, P.; Pan, W. P. Study of mercury oxidation by a selective catalytic reduction catalyst in a pilot-scale slipstream reactor at a utility boiler burning bituminous coal Energy Fuels 2007, 21 (1) 145-156 10.1021/ef0602426
9. Kilgroe, J. D.; Sedman, C. B.; Srivastava, R. K.; Ryan, J. V.; Lee, C.; Thorneloe, S. A.; Pages, E. Control of mercury emissions from coal-fired electric utility boilers: interim report including errata dated 3-21-02 Carbon 2001, 5, 33
10. Liu, S. H.; Yan, N. Q.; Liu, Z. R.; Qu, Z.; Wang, H. P.; Chang, S. G.; Miller, C. Using bromine gas to enhance mercury removal from flue gas of coal-fired power plants Environ. Sci. Technol. 2007, 41 (4) 1405-1412 10.1021/es061705p
11. Cao, Y.; Wang, Q. H.; Li, J.; Cheng, J. C.; Chan, C. C.; Cohron, M.; Pan, W. P. Enhancement of mercury capture by the simultaneous addition of hydrogen bromide (HBr) and fly ashes in a slipstream facility Environ. Sci. Technol. 2009, 43 (8) 2812-2817 10.1021/es803410z
12. Berry, M.; Dombrowski, K.; Richardson, C.; Chang, R.; Borders, E.; Vosteen, B. Mercury control evaluation of calcium bromide injection into a PRB-fired furnace with an SCR. In Proceedings of the Air Quality VI Conference, Arlington, VA, 2007.
13. Eswaran, S.; Stenger, H. G. Effect of halogens on mercury conversion in SCR catalysts Fuel Process. Technol. 2008, 89 (11) 1153-1159 10.1016/j.fuproc.2008.05.007
14. x catalysts under flue gas conditions in coal fired power plants Appl. Catal., B 2014, 144, 486-497 10.1016/j.apcatb.2013.07.040
15. Vosteen, B. W.; Kanefke, R.; Koser, H. Bromine-enhanced mercury abatement from combustion flue gases-recent industrial applications and laboratory research VGB powertech 2006, 86 (3) 70-75
16. Wang, J.; Anthony, E. J. An analysis of the reaction rate for mercury vapor and chlorine Chem. Eng. Technol. 2005, 28 (5) 569-573 10.1002/ceat.200407063
17. He, S.; Zhou, J.; Zhu, Y.; Luo, Z.; Ni, M.; Cen, K. Mercury oxidation over a vanadia-based selective catalytic reduction catalyst Energy Fuels 2009, 23 (1) 253-259 10.1021/ef800730f
18. Niksa, S.; Fujiwara, N. A predictive mechanism for mercury oxidation on selective catalytic reduction catalysts under coal-derived flue gas J. Air Waste Manage. Assoc. 2005, 55 (12) 1866-1875 10.1080/10473289.2005.10464779
19. Zhang, B.; Liu, J.; Zhang, J.; Zheng, C.; Chang, M. Mercury oxidation mechanism on Pd(100) surface from first-principles calculations Chem. Eng. J. 2014, 237, 344-351 10.1016/j.cej.2013.10.052
20. 2(110) surface Chem. Eng. J. 2014, 256, 93-100 10.1016/j.cej.2014.07.008
21. 5(001) surface with implications for oxidation Proc. Combust. Inst. 2011, 33 (2) 2771-2777 10.1016/j.proci.2010.06.023
22. 2 catalyst: Insights from first principles Chem. Eng. J. 2015, 280, 354-362 10.1016/j.cej.2015.06.056
23. Lim, D. H.; Wilcox, J. Heterogeneous mercury oxidation on Au(111) from first principles Environ. Sci. Technol. 2013, 47 (15) 8515-8522 10.1021/es400876e
24. Suarez Negreira, A.; Wilcox, J. DFT study of Hg oxidation across vanadia-titania SCR catalyst under flue gas conditions J. Phys. Chem. C 2013, 117 (4) 1761-1772 10.1021/jp310668j
25. 2 SCR catalyst: A DFT study J. Phys. Chem. C 2013, 117 (46) 24397-24406 10.1021/jp407794g
26. 2 catalyst: Periodic density functional theory study Proc. Combust. Inst. 2015, 35 (3) 2855-2865 10.1016/j.proci.2014.06.051
27. 2 (001)-(1× 4) Surface Phys. Rev. Lett. 2001, 87 (26) 266105 10.1103/PhysRevLett.87.266105
28. Vittadini, A.; Selloni, A. Periodic density functional theory studies of vanadia-titania catalysts: Structure and stability of the oxidized monolayer J. Phys. Chem. B 2004, 108 (22) 7337-7343 10.1021/jp037869z
29. 2(001) J. Phys. Chem. C 2010, 114 (8) 3609-3613 10.1021/jp911145c
30. 2 Catalysts and Their Role in Oxygen Isotopic Exchange J. Phys. Chem. C 2013, 117 (28) 14701-14709 10.1021/jp404921d
31. Segall, M.; Lindan, P. J.; Probert, M. a.; Pickard, C.; Hasnip, P.; Clark, S.; Payne, M. First-principles simulation: ideas, illustrations and the CASTEP code J. Phys.: Condens. Matter 2002, 14 (11) 2717 10.1088/0953-8984/14/11/301
32. Perdew, J. P.; Burke, K.; Wang, Y. Erratum: Generalized gradient approximation for the exchange-correlation hole of a many-electron system [Phys. Rev. B 54, 16 533 (1996)] Phys. Rev. B: Condens. Matter Mater. Phys. 1998, 57 (23) 14999 10.1103/PhysRevB.57.14999
33. Perdew, J. P.; Burke, K.; Ernzerhof, M. Generalized gradient approximation made simple Phys. Rev. Lett. 1996, 77 (18) 3865 10.1103/PhysRevLett.77.3865
34. Vanderbilt, D. Soft self-consistent pseudopotentials in a generalized eigenvalue formalism Phys. Rev. B: Condens. Matter Mater. Phys. 1990, 41 (11) 7892-7895 10.1103/PhysRevB.41.7892
35. Burdett, J. K.; Hughbanks, T.; Miller, G. J.; Richardson, J. W., Jr; Smith, J. V. Structural-electronic relationships in inorganic solids: powder neutron diffraction studies of the rutile and anatase polymorphs of titanium dioxide at 15 and 295 K. J J. Am. Chem. Soc. 1987, 109 (12) 3639-3646 10.1021/ja00246a021
36. Tellinghuisen, J.; Ashmore, J. G. The B → X transition in 200Hg 79Br Appl. Phys. Lett. 1982, 40 (10) 867-869 10.1063/1.92946
37. Deyanov, R.; Petrov, K.; Ugarov, V.; Shchedrin, B.; Rambidi, N. Automatic background subtraction in gas electron diffraction: The covariance matrix in least-squares structure-parameter analysis J. Struct. Chem. 1986, 26 (5) 698-703 10.1007/BF00773263
38. Xin, G.; Zhao, P.; Zheng, C. Theoretical study of different speciation of mercury adsorption on CaO(001) surface Proc. Combust. Inst. 2009, 32 (2) 2693-2699 10.1016/j.proci.2008.06.090
39. Halgren, T. A.; Lipscomb, W. N. The synchronous-transit method for determining reaction pathways and locating molecular transition states Chem. Phys. Lett. 1977, 49 (2) 225-232 10.1016/0009-2614(77)80574-5
40. Eom, Y.; Jeon, S. H.; Ngo, T. A.; Kim, J.; Lee, T. G. Heterogeneous mercury reaction on a selective catalytic reduction (SCR) catalyst Catal. Lett. 2008, 121 (3-4) 219-225 10.1007/s10562-007-9317-0
41. Li, Y.; Murphy, P. D.; Wu, C. Y.; Powers, K. W.; Bonzongo, J.-C. J. Development of silica/vanadia/titania catalysts for removal of elemental mercury from coal-combustion flue gas Environ. Sci. Technol. 2008, 42 (14) 5304-5309 10.1021/es8000272
42. Xiang, W.; Liu, J.; Chang, M.; Zheng, C. The adsorption mechanism of elemental mercury on CuO(110) surface Chem. Eng. J. 2012, 200, 91-96 10.1016/j.cej.2012.06.025
43. Cao, Y.; Gao, Z.; Zhu, J.; Wang, Q.; Huang, Y.; Chiu, C.; Parker, B.; Chu, P.; Pan, W. P. Impacts of halogen additions on mercury oxidation, in a slipstream selective catalyst reduction (SCR), reactor when burning sub-bituminous coal Environ. Sci. Technol. 2008, 42 (1) 256-261 10.1021/es071281e
44. Niksa, S.; Naik, C. V.; Berry, M. S.; Monroe, L. Interpreting enhanced Hg oxidation with Br addition at Plant Miller Fuel Process. Technol. 2009, 90 (11) 1372-1377 10.1016/j.fuproc.2009.05.022
45. Eswaran, S.; Stenger, H. G. Understanding mercury conversion in selective catalytic reduction (SCR) catalysts Energy Fuels 2005, 19 (6) 2328-2334 10.1021/ef050087f