Inland concentrations of Cl2 and ClNO2 in southeast Texas suggest chlorine chemistry significantly contributes to atmospheric reactivity

Atmosphere

Volumn 6, Issue 10, 2015, Pages 1487-1506

  Faxon, Cameron B ^a   Bean, Jeffrey K ^a   Ruiz, Lea Hildebrandt ^a  

^a The University of Texas at Austin   (United States)

Author keywords

Air quality; Ambient observations; Atomic chlorine; Molecular chlorine; Nitryl chloride; Photochemistry

Indexed keywords

AIR QUALITY; AIR QUALITY STANDARDS; ATMOSPHERIC CHEMISTRY; BOUNDARY LAYERS; CHLORINE; IODINE; PHOTOCHEMICAL REACTIONS; REGULATORY COMPLIANCE; TELLURIUM COMPOUNDS;

AMBIENT OBSERVATIONS; ATOMIC CHLORINE; DINITROGEN PENTOXIDE; MOLECULAR CHLORINE; NITRYL CHLORIDE; NOCTURNAL BOUNDARY LAYERS; PEAK CONCENTRATIONS; SECONDARY ORGANIC AEROSOLS;

CHLORINE COMPOUNDS;

EID: 84969908177     PISSN: None     EISSN: 20734433     Source Type: Journal    
DOI: 10.3390/atmos6101487     Document Type: Article

References (76)

1. Tanaka, P.L., Riemer, D.D., Chang, S., Yarwood, G., McDonald-Buller, E.C., Apel, E.C., Orlando, J.J., Silva, P.J., Jimenez, J.L., Canagaratna, M.R., et al. Direct evidence for chlorine-enhanced urban ozone formation in Houston, Texas. Atmos. Environ. 2003, 37, 1393-1400.
2. Wang, L., Thompson, T., McDonald-Buller, E.C., Allen, D.T. Photochemical modeling of emissions trading of highly reactive volatile organic compounds in Houston, Texas. 2. Incorporation of chlorine emissions. Environ. Sci. Technol. 2007, 41, 2103-2107.
3. Faxon, C.B., Allen, D.T. Chlorine chemistry in urban atmospheres: A review. Environ. Chem. 2013, 10, 221-233.
4. Wingenter, O.W., Sive, B.C., Blake, N.J., Blake, D.R., Rowland, F.S. Atomic chlorine concentrations derived from ethane and hydroxyl measurements over the equatorial Pacific Ocean: Implication for dimethyl sulfide and bromine monoxide. J. Geophys. Res. 2005, 110, doi:10.1029/2005JD005875.
5. Graedel, T.E., Keene, W.C. Tropospheric budget of reactive chlorine. Glob. Biogeochem. Cycles 1995, 9, 47-77.
6. Keene, C., Aslam, M., Khalil, K., Erickson, J., Archie, I.I.I., Graedel, E., Loberr, M., Aucott, M.L., Ling, S., Harper, D.B., et al. Composite global emissions of reactive chlorine from anthropogenic and natural sources: Reactive chlorine emissions inventory. J. Geophys. Res. 1999, 104, 8429-8440.
7. Sarwar, G., Bhave, P.V. Modeling the effect of chlorine emissions on ozone levels over the eastern United States. J. Appl. Meteorol. Climatol. 2007, 46, 1009-1019.
8. Liu, C.L., Smith, J.D., Che, D.L., Ahmed, M., Leone, S.R., Wilson, K.R. The direct observation of secondary radical chain chemistry in the heterogeneous reaction of chlorine atoms with submicron squalane droplets. Phys. Chem. Chem. Phys. 2011, 13, 8993-9007.
9. Wang, L., Arey, J., Atkinson, R. Reactions of chlorine atoms with a series of aromatic hydrocarbons. Environ. Sci. Technol. 2005, 39, 5302-10.
10. Nelson, L., Rattigan, O., Neavyn, R., Sidebottom, H. Absolute and relative rate constants for reactions of hydroxyl radicals and chlorine atoms with series of aliphatic alcohols and ethers at 298K. Int. J. Chem. Kinet. 1990, 22, 1111-1126.
11. Aschmann, S.M., Atkinson, R. Rate Constants for the Gas-Phase Reactions of alkanes with Cl atoms at 296. Int. J. Chem. Kinet. 1995, 27, 613-622.
12. Canosa-Mas, C.E., Hutton-Squire, H.R., King, M.D., Stewart, D.J., Thompson, K.C., Wayne, R.P. Laboratory Kinetic Studies of the Reactions of Cl Atoms with Species of Biogenic Origin: ?3-Carene, Methacrolein and Methyl Vinyl Ketone. J. Atmos. Chem. 1999, 34, 163-170.
13. Ragains, M.L., Finlayson-Pitts, B.J. Kinetics and mechanism of the reaction of Cl atoms with 2-Methyl-1,3-butadiene (Isoprene) at 298 K. J. Phys. Chem. A 1997, 5639, 1509-1517.
14. Chang, S., McDonald-Buller, E., Kimura, Y., Yarwood, G., Neece, J., Russell, M., Tanaka, P., Allen, D. Sensitivity of urban ozone formation to chlorine emission estimates. Atmos. Environ. 2002, 36, 4991-5003.
15. Tanaka, P.L., Allen, D.T., Mullins, C.B. An environmental chamber investigation of chlorine-enhanced ozone formation in Houston, Texas. J. Geophys. Res. 2003, 108, doi:10.1029/2002JD003314.
16. Knipping, E.M., Dabdub, D. Impact of chlorine emissions from sea-salt aerosol on coastal urban ozone. Environ. Sci. Technol. 2003, 37, 275-284.
17. Sander, S.P., Friedl, R.R., Barker, J.R., Golden, D.M., Kurylo, M.J., Sciences, G.E., Wine, P.H., Abbatt, J.P.D., Burkholder, J.B., Kolb, C.E., et al. Chemical Kinetics and Photochemical Data for Use in Atmospheric Studies: Evaluation Number 17. Available online: https://jpldataeval.jpl.nasa. gov/pdf/JPL%2010-6%20Final%2015Jun8011.pdf (accessed on 31 August 2015).
18. Chang, S., Allen, D.T. Chlorine chemistry in urban atmospheres: Aerosol formation associated with anthropogenic chlorine emissions in southeast Texas. Atmos. Environ. 2006, 40, 512-523.
19. Chang, S., Tanaka, P., Mcdonald-buller, E., Allen, D.T. Emission inventory for atomic chlorine precursors in Southeast Texas. Available online: http://www.tceq.state.tx.us/assets/public/ implementation/air/am/contracts/reports/oth/EmissioninventoryForAtomicChlorinePrecursors.pdf (accessed on 31 August 2015).
20. Atkinson, R., Baulch, D.L., Cox, R.A., Crowley, J.N., Hampson, R.F., Hynes, R.G., Jenkin, M.E., Rossi, M.J., Troe, J. Evaluated kinetic and photochemical data for atmospheric chemistry: Volume III-Gas phase reactions of inorganic halogens. Atmos. Chem. Phys. 2007, 7, 981-1191.
21. Pszenny, A.A.P., Keene, W.C., Jacob, D.J., Fan, S., Maben, J.R., Zetwo, M.P. Evidence of inorganic chlorine gases other than hydrogen chloride in marine surface air. Geopys. Res. Lett. 1993, 20, 699-702.
22. Spicer, C., Chapman, E., Finlayson-Pitts, B., Plastrige, R., Hubbe, J., Fast, J., Berkowitz, C. Unexpectedly high concentrations of molecular chlorine in coastal air. Nature 1998, 394, 353-356.
23. Finley, B.D., Saltzman, E.S. Measurement of Cl2 in coastal urban air. Geophys. Res. Lett. 2006, 33, doi:10.1029/2006GL025799.
24. Riedel, T.P., Bertram, T.H., Crisp, T.A., Williams, E.J., Lerner, B.M., Vlasenko, A., Li, S.M., Gilman, J., de Gouw, J., Bon, D.M., et al. A Nitryl chloride and molecular chlorine in the coastal marine boundary layer. Environ. Sci. Technol. 2012, 46, 10463-10470.
25. Liao, J., Huey, L.G., Liu, Z., Tanner, D.J., Cantrell, C.A., Orlando, J.J., Flocke, F.M., Shepson, P.B., Weinheimer, A.J., Hall, S.R., et al. High levels of molecular chlorine in the Arctic atmosphere. Nat. Geosci. 2014, 7, 91-94.
26. Chang, S., Allen, D.T. Atmospheric chlorine chemistry in southeast Texas: impacts on ozone formation and control. Environ. Sci. Technol. 2006, 40, 251-262.
27. Oum, K.W., Lakin, M.J., DeHaan, D.O., Brauers, T., Finlayson-Pitts, B.J. Formation of molecular chlorine from the photolysis of ozone and aqueous sea-salt particles. Science 1998, 279, 74-76.
28. Herrmann, H., Majdik, Z., Ervens, B., Weise, D. Halogen production from aqueous tropospheric particles. Chemosphere 2003, 52, 485-502.
29. Sadanaga, Y., Hirokawa, J., Akimoto, H. Formation of molecular chlorine in dark condition: Heterogeneous reaction of ozone with sea salt in the presence of ferric ion. Geophys. Res. Lett. 2001, 28, 4433-4436.
30. Knipping, E.M. Experiments and simulations of ion-enhanced interfacial chemistry on aqueous NaCl aerosols. Science 2000, 288, 301-306.
31. Behnke, W., Zetzsch, C. Heterogeneous formation of chlorine atoms from various aerosols in the presence of O3 and HCl. J. Aerosol Sci. 1989, 20, 1167-1170.
32. Keene, W.C., Pszenny, A.A.P., Jacob, D.J., Duce, R.A., Galloway, J.N., Schultz-Tokos, J.J., Sievering, H., Boatman, J.F. The geochemical cycling of reactive chlorine through the marine troposphere. Glob. Biogeochem. Cycles 1990, 4, 407-430.
33. Knipping, E.M. Modeling Cl2 formation from aqueous NaCl particles: Evidence for interfacial reactions and importance of Cl2 decomposition in alkaline solution. J. Geophys. Res. 2002, 107, doi:10.1029/2001JD000867.
34. George, I.J., Abbatt, J.P.D. Heterogeneous oxidation of atmospheric aerosol particles by gas-phase radicals. Nat. Chem. 2010, 2, 713-722.
35. Kercher, J.P., Riedel, T.P., Thornton, J.A. Chlorine activation by N2O5: Simultaneous, in situ detection of ClNO2 and N2O5 by chemical ionization mass spectrometry. Atmos. Measu. Tech. 2009, 2, 193-204.
36. Thornton, J.A., Abbatt, J.P.D. N2O5 reaction on submicron sea salt aerosol: Kinetics, products, and the effect of surface active organics. J. Phys. Chem. A 2005, 109, 10004-10012.
37. Osthoff, H.D., Roberts, J.M., Ravishankara, a. R., Williams, E.J., Lerner, B.M., Sommariva, R., Bates, T.S., Coffman, D., Quinn, P.K., Dibb, J.E., et al. High levels of nitryl chloride in the polluted subtropical marine boundary layer. Nat. Geosci. 2008, 1, 324-328.
38. Roberts, J.M., Osthoff, H.D., Brown, S.S., Ravishankara, A.R., Coffman, D., Quinn, P., Bates, T. Laboratory studies of products of N2O5 uptake on Cl-containing substrates. Geophys. Res. Lett. 2009, 36, doi:10.1029/2009GL040448.
39. Sarwar, G., Simon, H., Bhave, P., Yarwood, G. Examining the impact of heterogeneous nitryl chloride production on air quality across the United States. Atmos. Chem. Phys. 2012, 12, 6455-6473.
40. Simon, H., Kimura, Y., McGaughey, G., Allen, D.T., Brown, S.S., Coffman, D., Dibb, J., Osthoff, H.D., Quinn, P., Roberts, J.M. Modeling heterogeneous ClNO2 formation, chloride availability, and chlorine cycling in Southeast Texas. Atmos. Environ. 2010, 44, 5476-5488.
41. Simon, H., Kimura, Y., McGaughey, G., Allen, D.T., Brown, S.S., Osthoff, H.D., Roberts, J.M., Byun, D., Lee, D. Modeling the impact of ClNO2 on ozone formation in the Houston area. J. Geophys. Res. 2009, 114, doi:10.1029/2008JD010732.
42. Sarwar, G., Simon, H., Xing, J., Mathur, R. Importance of tropospheric ClNO2 chemistry across the Northern Hemisphere. Geophys. Res. Lett. 2014, 41, 4050-4058.
43. Roberts, J.M., Osthoff, H.D., Brown, S.S., Ravishankara, A.R. N2O5 oxidizes chloride to Cl2 in acidic atmospheric aerosol. Science 2008, 321, 1059-1059.
44. Thomas, J.L., Jimenez-Aranda, A., Finlayson-Pitts, B.J., Dabdub, D. Gas-phase molecular halogen formation from NaCl and NaBr aerosols: when are interface reactions important? J. Phys. Chem. A 2006, 110, 1859-1867.
45. Phillips, G.J., Tang, M.J., Thieser, J., Brickwedde, B., Schuster, G., Bohn, B., Lelieveld, J., Crowley, J.N. Significant concentrations of nitryl chloride observed in rural continental Europe associated with the influence of sea salt chloride and anthropogenic emissions. Geophys. Res. Lett. 2012, 39, doi:10.1029/2012GL051912.
46. Thornton, J.A., Kercher, J.P., Riedel, T.P., Wagner, N.L., Cozic, J., Holloway, J.S., Dubé, W.P., Wolfe, G.M., Quinn, P.K., Middlebrook, A.M., et al. A large atomic chlorine source inferred from mid-continental reactive nitrogen chemistry. Nature 2010, 464, 271-274.
47. Mielke, L.H., Furgeson, A., Osthoff, H.D. Observation of ClNO2 in a mid-continental urban environment. Environ. Sci. Technol. 2011, 45, 8889-8896.
48. Behnke, W., George, C., Scheer, V., Zetzsch, C. Production and decay of ClNO2 from the reaction of gaseous N2O5 with NaCl solution: Bulk and aerosol experiments. J. Geophys. Res. 1997, 102, 3795-3804.
49. Behnke, W., Krüger, H.-U., Scheer, V., Zetzsch, C. Formation of atomic Cl from sea spray via photolysis of nitryl chloride: Determination of the sticking coefficient of N2O5 on NaCl aerosol. J. Aerosol Sci. 1991, 22, S609-S612.
50. Frenzel, A., Scheer, V., Sikorski, R., George, C., Behnke, W., Zetzsch, C. Heterogeneous interconversion reactions of BrNO2, ClNO2, Br2, and Cl2. J. Phys. Chem. A 1998, 102, 1329-1337.
51. Schweitzer, F., Mirabel, P., George, C. Multiphase chemistry of N2O5, ClNO2, and BrNO2. J. Phys. Chem. A 1998, 102, 3942-3952.
52. Bertram, T.H., Thornton, J.A. Toward a general parameterization of N2O5 reactivity on aqueous particles: The competing effects of particle liquid water, nitrate and chloride. Atmos. Chem. Phys. Discuss. 2009, 9, 15181-15214.
53. Mielke, L.H., Stutz, J., Tsai, C., Hurlock, S.C., Roberts, J.M., Veres, P.R., Froyd, K.D., Hayes, P.L., Cubison, M.J., Jimenez, J.L., et al. Heterogeneous formation of nitryl chloride and its role as a nocturnal NOx reservoir species during CalNex-LA 2010. J. Geophys. Res. Atmos. 2013, 118, 10638-10652.
54. Tham, Y.J., Yan, C., Xue, L., Zha, Q., Wang, X., Wang, T. Presence of high nitryl chloride in Asian coastal environment and its impact on atmospheric photochemistry. Chin. Sci. Bull. 2013, 59, 356-359.
55. Riedel, T.P., Wagner, N.L., Dubé, W.P., Middlebrook, A.M., Young, C.J., Öztürk, F., Bahreini, R., VandenBoer, T.C., Wolfe, D.E., Williams, E.J., et al. Chlorine activation within urban or power plant plumes: Vertically resolved ClNO2 and Cl2 measurements from a tall tower in a polluted continental setting. J. Geophys. Res. Atmos. 2013, 118, 8702-8715.
56. National Aeronautics and Space Administration. Deriving Information on Surface Conditions from Column and Vertically Resolved Observations Relevant to Air Quality (DISCOVER-AQ). Available online: http://discover-aq.larc.nasa.gov/ (accessed on 31 August 2015).
57. Ng, N.L., Herndon, S.C., Trimborn, a., Canagaratna, M.R., Croteau, P.L., Onasch, T.B., Sueper, D., Worsnop, D.R., Zhang, Q., Sun, Y.L., et al. An Aerosol Chemical Speciation Monitor (ACSM) for routine monitoring of the composition and mass concentrations of ambient aerosol. Aerosol Sci. Technol. 2011, 45, 780-794.
58. Finley, B.D., Saltzman, E.S. Observations of Cl2 , Br2 , and I2 in coastal marine air. J. Geophys. Res. 2008, 113, 1-14.
59. Jordan, C.E., Pszenny, A.A.P., Keene, W.C., Cooper, O.R., Deegan, B., Maben, J., Routhier, M., Sander, R., Young, A.H. Origins of aerosol chlorine during winter over north central Colorado, USA. J. Geophys. Res. Atmos. 2015, 120, 678-694.
60. Young, A.H., Keene, W.C., Pszenny, A.A.P., Sander, R., Thornton, J.A., Riedel, T.P., Maben, J.R. Phase partitioning of soluble trace gases with size-resolved aerosols in near-surface continental air over northern Colorado, USA, during winter. J. Geophys. Res. Atmos. 2013, 118, 9414-9427.
61. Pratt, K.A., Prather, K.A. Aircraft measurements of vertical profiles of aerosol mixing states. J. Geophys. Res. Atmos. 2010, 115, 1-10.
62. Hildebrandt Ruiz, L., Yarwood, G., Koo, B., Heo, G. Quality assurance project plan project 14-024-Sources of organic particulate matter in Houston: Evidence from DISCOVER-AQ data modeling and experiments. Available online: http://aqrp.ceer.utexas.edu/projectinfoFY14_ 15%5C14-024%5C14-024%20QAPP.pdf (accessed on 31 August 2015).
63. Draxler, R.R., Hess, G. Description of the HYSPLIT_4 Modeling System. Available online: https://ready.arl.noaa.gov/HYSPLIT.php; 2010 (accessed on 31 August 2015).
64. Yarwood, G., Jung, J., Whitten, G.Z., Heo, G., Mellberg, J., Estes, M. Updates to the Carbon Bond mechanism for version 6 (CB6). In Proceedings of the 9th Annual CMAS Conference, Chapel Hill, NC, USA, 11-13 October 2010; pp. 1-4.
65. Yarwood, G., Rao, S. Updates to the Carbon Bond Chemical Mechanism: CB05; RT-0400675; Final report to the US EPA; US EPA: Washington, DC, USA, 2005.
66. Tanaka, P.L., Allen, D.T., McDonald-Buller, E.C., Chang, S., Kimura, Y., Mullins, C.B., Yarwood, G., Neece, J.D. Development of a chlorine mechanism for use in the carbon bond IV chemistry model. J. Geophys. Res. 2003, 108, doi: 10.1029/2002JD002432.
67. Carter, W.P.L., Luo, D., Malkina, I.L., Pierce, J.A. Environmental Chamber Studies of Atmospheric Reactivities of Volatile Organic Compounds: Effects of Varying Chamber and Light Source; 1995. Availavle online: https://www.cert.ucr.edu/~carter/pubs/explrept.pdf (accessed on 31 August 2015).
68. Sokolov, O., Hurley, M.D., Wallington, T.J., Kaiser, E.W., Platz, J., Nielsen, O.J., Berho, F., Rayez, M.T., Lesclaux, R. Kinetics and mechanism of the gas-phase reaction of Cl atoms with benzene. J. Phys. Chem. A 1998, 102, 10671-10681.
69. Wingenter, O.W., Blake, D.R., Blake, N.J., Sive, B.C., Rowland, F.S., Atlas, E., Flocke, F. Tropospheric hydroxyl and atomic chlorine concentrations, and mixing timescales determined from hydrocarbon and halocarbon measurements made over the Southern Ocean. J. Geophys. Res. 1999, 104, 21,819-21,828.
70. Bertram, T.H., Kimmel, J.R., Crisp, T.A., Ryder, O.S., Yatavelli, R.L.N., Thornton, J.A., Cubison, M.J., Gonin, M., Worsnop, D.R. A field-deployable, chemical ionization time-of-flight mass spectrometer. Atmos. Meas. Tech. 2011, 4, 1471-1479.
71. Yatavelli, R.L.N., Lopez-Hilfiker, F., Wargo, J.D., Kimmel, J.R., Cubison, M.J., Bertram, T.H., Jimenez, J.L., Gonin, M., Worsnop, D.R., Thornton, J.A. A chemical ionization high-resolution time-of-flight mass spectrometer coupled to a Micro Orifice Volatilization Impactor (MOVIHRToF-CIMS) for analysis of gas and particle-phase organic species. Aerosol Sci. Technol. 2012, 46, 1313-1327.
72. Lee, B.H., Lopez-Hilfiker, F.D., Mohr, C., Kurtén, T., Worsnop, D.R., Thornton, J.A. An iodide-adduct high-resolution time-of-flight chemical-ionization mass spectrometer: Application to atmospheric inorganic and organic compounds. Environ. Sci. Technol. 2014, 48, 6309-6317.
73. Aljawhary, D., Lee, A.K.Y., Abbatt, J.P.D. High-resolution chemical ionization mass spectrometry (ToF-CIMS): Application to study SOA composition and processing. Atmos. Meas. Tech. 2013, 6, 3211-3224.
74. Slusher, D.L., Huey, L.G., Tanner, D.J., Flocke, F.M., Roberts, J.M. A Thermal Dissociation-Chemical Ionization Mass Spectrometry (TD-CIMS) technique for the simultaneous measurement of peroxyacyl nitrates and dinitrogen pentoxide. J. Geophys. Res. 2004, 109, doi:10.1029/2004JD004670.
75. Zheng, W., Flocke, F.M., Tyndall, G.S., Swanson, A., Orlando, J.J., Roberts, J.M., Huey, L.G., Tanner, D.J. Characterization of a thermal decomposition chemical ionization mass spectrometer for the measurement of Peroxy Acyl Nitrates (PANs) in the atmosphere. Atmos. Chem. Phys. 2011, 11, 6529-6547.
76. Fuchs, H., Dube, W.P., Ciciora, S.J., Brown, S.S. Determination of inlet transmission and conversion efficiencies for in situ measurements of the nocturnal nitrogen oxides, NO3, N2O5 and NO2, via pulsed cavity ring-down spectroscopy. Anal. Chem. 2008, 80, 6010-6017.