H2SO4 formation from the gas-phase reaction of stabilized Criegee Intermediates with SO2: Influence of water vapour content and temperature

Atmospheric Environment

Volumn 89, Issue , 2014, Pages 603-612

  Berndt, Torsten ^a   Jokinen, Tuija ^a,b   Sipilä, Mikko ^b   Mauldin, Roy L ^b,c   Herrmann, Hartmut ^a   Stratmann, Frank ^a   Junninen, Heikki ^b   Kulmala, Markku ^b  

^a LEIBNIZ INSTITUTE FOR TROPOSPHERIC RESEARCH   (Germany)

^b UNIVERSITY OF HELSINKI   (Finland)

^c UNIVERSITY OF COLORADO   (United States)

Author keywords

CI APi TOF mass spectrometry; Criegee Intermediate; Gas phase ozonolysis; Stabilization

Indexed keywords

ACETALDEHYDE; ACETONE; ATMOSPHERIC PRESSURE; BUTENES; FREE RADICALS; MASS SPECTROMETRY; OZONE; PHASE INTERFACES; REACTION KINETICS; STABILIZATION; SULFUR DIOXIDE; WATER VAPOR;

2 ,3-DIMETHYL-2-BUTENE; ALKENE OZONOLYSIS; CRIEGEE INTERMEDIATES; GAS-PHASE OZONOLYSIS; GAS-PHASE REACTIONS; INFLUENCE OF WATER; RATE COEFFICIENTS; RISING TEMPERATURES;

REACTION INTERMEDIATES;

2,3 DIMETHYL 2 BUTENE; ACETALDEHYDE OXIDE; ACETONE OXIDE; CRIEGEE INTERMEDIATE; HYDROXYL RADICAL; NITRITE; OXIDE; SULFUR DIOXIDE; SULFURIC ACID; TRANS 2 BUTENE; UNCLASSIFIED DRUG;

ACETALDEHYDE; ACETONE; ATMOSPHERIC PRESSURE; DECOMPOSITION; GAS PHASE REACTION; HYDROXYL RADICAL; MASS SPECTROMETRY; OXIDATION; OZONE; STABILIZATION; SULFUR DIOXIDE; WATER VAPOR;

ARTICLE; ATMOSPHERIC PRESSURE; CHEMICAL IONIZATION ATMOSPHERIC PRESSURE INTERFACE TIME OF FLIGHT MASS SPECTROMETRY; CHEMICAL STRUCTURE; CONTROLLED STUDY; DECOMPOSITION; MOLECULAR STABILITY; OZONOLYSIS; PRIORITY JOURNAL; REACTION ANALYSIS; TEMPERATURE SENSITIVITY; TIME OF FLIGHT MASS SPECTROMETRY; WATER TEMPERATURE; WATER VAPOR;

EID: 84895957659     PISSN: 13522310     EISSN: 18732844     Source Type: Journal    
DOI: 10.1016/j.atmosenv.2014.02.062     Document Type: Article

References (41)

1. Atkinson R., Lloyd A.C. Evaluation and mechanistic data for modeling of photochemical smog. Journal of Physical and Chemical Reference Data 1984, 13:315-444.
2. 2. Atmospheric Environment 2004, 38:2145-2153.
3. 2. The Journal of Physical Chemistry Letters 2012, 3:2892-2896.
4. 4. International Journal of Mass Spectrometry 2000, 202:91-109.
5. 2 by stabilized Criegee intermediate (sCI) radicals as a crucial source for atmospheric sulfuric acid concentrations. Atmospheric Chemistry and Physics 2013, 13:3865-3879.
6. Calvert J.G., Su F., Bottenheim J.W., Strausz O.P. Mechanism of the homogeneous oxidation of sulphur dioxide in the troposphere. Atmospheric Environment 1978, 12:197-226.
7. Calvert J.G., Atkinson R., Kerr J.A., Madronich S., Moortgat G.K., Wallington T.J., Yarwood G. The Mechanisms of Atmospheric Oxidation of the Alkenes 2000, Oxford University Press, Oxford.
8. Cox R.A., Penkett S.A. Aerosol formation from Sulphur dioxide in the presence of ozone and olefinic hydrocarbons. Journal of the Chemical Society, Faraday Transactions 1: Physical Chemistry in Condensed Phases 1972, 68:1735-1753.
9. Criegee R. Mechanism of ozonolysis. Angewandte Chemie International Edition 1975, 14:745-752.
10. 2 by laser-induced fluorescence at low pressure. A comparison of calibration techniques. Atmospheric Chemistry and Physics 2008, 8:321-340.
11. Dzozd G.T., Donahue N.M. Pressure dependence of stabilized Criegee intermediate formation from a sequence of alkenes. The Journal of Physical Chemistry A 2011, 115:4381-4387.
12. Dzozd G.T., Kroll J., Donahue N.M. 2,3-Dimethyl-2-butene (TME) ozonolysis: pressure dependence of stabilized Criegee intermediates and evidence of stabilized vinyl hydroperoxides. The Journal of Physical Chemistry A 2011, 115:161-166.
13. 4 production and loss in the atmosphere. Journal of Geophysical Research 1993, 98:9001-9010.
14. 3CHOO generated by the trans-2-butene reaction with ozone in the gas phase. The Journal of Physical Chemistry 2000, 104:9921-9932.
15. Gäb S., Hellpointer E., Turner W.V., Korte F. Hydroxymethyl hydroperoxide and bis(hydroxymethyl) peroxide from gas phase ozonolysis of naturally occurring alkenes. Nature 1985, 316:535-536.
16. Goff J.A. Saturation Pressure of Water on the New Kelvin Temperature Scale 1957, 347-354. Transactions of the American Society of Heating and Ventilating Engineers, Technical report, presented at the semi-annual meeting of the American Society of Heating and Ventilating Engineers, Murray Bay, Que. Canada.
17. Hatakeyama S., Akimoto H. Reactions of Criegee intermediates in the gas phase. Research on Chemical Intermediates 1994, 20:503-524.
18. Hofzumahaus A., et al. Reply. Geophysical Research Letters 1997, 3039-3040.
19. Jiang L., Xu Y., Ding A. Reaction of stabilized Criegee intermediates from ozonolysis of limonene with sulfur dioxide: ab initio and DFT study. The Journal of Physical Chemistry A 2010, 114:12452-12461.
20. Jokinen T., Sipilä M., Junninen H., Ehn M., Lönn G., Hakala J., Petäjä T., Mauldin R.L., Kulmala M., Worsnop D.R. Atmospheric sulphuric acid and neutral cluster measurements using CI-APi-TOF. Atmospheric Chemistry and Physics 2012, 12:4117-4125.
21. Junninen H., Ehn M., Petäjä T., Luosujärvi L., Kotiaho T., Kostiainen R., Rohner U., Gonin M., Fuhrer K., Kulmala M., Worsnop D.R. Ahigh-resolution mass spectrometer to measure atmospheric ion composition. Atmospheric Measurement Techniques 2010, 3:1039-1053.
22. Kerr J.A., Calvert J.G. Chemical Transformation Modules for Eulerian Acid Deposition Models 1984, vol. 1. National Center for Atmospheric Research, Boulder, CO.
23. x formation in the gas-phase ozone-alkene reaction. 2. Prompt versus thermal dissociation of carbonyl oxides to form OH. The Journal of Physical Chemistry A 2001, 115:4446-4457.
24. 3 by gas-phase organic oxidants. The Journal of Physical Chemistry A 2011, 115:8669-8681.
25. 2CHOOH: there is a saddle point. The Journal of Physical Chemistry A 2012, 116:6823-6830.
26. Kuwata K.T., Hermes M.R., Carlson M.J., Zogg C.K. Computational studies of the isomerization and hydration of acetaldehyde oxide and methyl vinyl carbonyl oxide. The Journal of Physical Chemistry 2010, 114:9192-9204.
27. Lanzendorf E.J., Hanisco T.F., Donahue N.M., Wennberg P.O. Comment on: "The measurement of tropospheric OH radicals by laser-induced fluorescence spectroscopy during the POPCORN field campaign" by Hofzumahaus etal. and "Intercomparison of tropospheric OH radical measurements by multiple folded long-path laser absorption and laser induced fluorescence" by Brauers, etal. Geophysical Research Letters 1997, 24:3037-3038.
28. Li J., Ying Q., Yi B., Yang P. Role of stabilized Criegee intermediates in the formation of atmospheric sulfate in Eastern United States. Atmospheric Environment 2013, 79:442-447.
29. Lindinger W., Hansel A., Jordan A. On-line monitoring of volatile organic compounds at ppt levels by means of Proton-Transfer Reaction Mass Spectrometry (PTR-MS) medical application, food control and environmental research. International Journal of Mass Spectrometry and Ion Processes 1998, 173:191-241.
30. Mauldin R.L., Frost G.J., Chen G., Tanner D.J., Prevot A.S.H., Davis D.D., Eisele F.L. OH measurements during ACE-1: observations and model comparisons. Journal of Geophysical Research 1998, 103:16713-16729.
31. Mauldin R.L., Berndt T., Sipilä M., Paasonen P., Petäjä T., Kim S., Kurtén T., Stratmann F., Kerminen V.-M., Kulmala M. Anew atmospherically relevant oxidant of sulphur dioxide. Nature 2012, 488:193-197.
32. MCM Master Chemical Mechanism, MCMv3.2 2013, (accessed 18.06.13.). http://mcm.leeds.ac.uk/MCM/.
33. Ryzhkov A.B., Ariya P.A. Atheoretical study of the reactions of parent and substituted Criegee intermediates with water and the water dimer. Physical Chemistry Chemical Physics 2004, 6:5042-5050.
34. 2 and gas-phase oxidation by stabilized Criegee intermediate. Atmospheric Environment 2013, 68:186-197.
35. Suto M., Manzanares E.R., Lee I.C. Detection of sulphuric acid aerosols by ultraviolet scattering. Environmental Science & Technology 1985, 19:815-820.
36. 3CHOO. Science 2013, 340:177-180.
37. Treacy J., El Hag M., O'Farrell D., Sidebottom H. Reactions of ozone with unsaturated organic compounds. Berichte der Bunsengesellschaft für physikalische Chemie 1992, 96:422-427.
38. 2, and their fate in the atmosphere. Physical Chemistry Chemical Physics 2012, 14:14682-14695.
39. 4. Journal of Geophysical Research 1982, 87(C9):7340-7342.
40. 2. Science 2012, 335:204-207.
41. Witter M., Berndt T., Böge O., Stratmann F., Heintzenberg J. Gas-phase ozonolysis: rate coefficients for a series of terpenes and rate coefficients and OH yields for 2-methyl-3-butene and 2,3-diemethyl-2-butene. International Journal of Chemical Kinetics 2002, 34:394-403.