Development of a new smog chamber for studying the impact of different UV lamps on SAPRC chemical mechanism predictions and aerosol formation
Stephen White A D , Dennys Angove A , Kangwei Li A B , Ian Campbell A , Adrian Element A , Brendan Halliburton A , Steve Lavrencic A , Donald Cameron C , Ian Jamie C and Merched Azzi A
+ Author Affiliations
- Author Affiliations
A CSIRO Energy, North Ryde, NSW 2113, Australia.
B State Key Laboratory of Clean Energy Utilization, Zhejiang University, Hangzhou 310027, China.
C Department of Chemistry and Biomolecular Sciences, Macquarie University, Sydney, NSW 2109, Australia.
D Corresponding author. Email: stephen.j.white@csiro.au
Environmental Chemistry 15(3) 171-182 https://doi.org/10.1071/EN18005
Submitted: 5 January 2018 Accepted: 13 March 2018 Published: 13 June 2018
Environmental context. Chemical mechanisms are an important component of predictive air quality models that are developed using smog chambers. In smog chamber experiments, UV lamps are often used to simulate sunlight, and the choice of lamp can influence the obtained data, leading to differences in model predictions. We investigate the effect of various UV lamps on the prediction accuracy of a key mechanism in atmospheric chemistry.
Abstract. A new smog chamber was constructed at CSIRO following the decommissioning of the previous facility. The new chamber has updated instrumentation, is 35 % larger, and has been designed for chemical mechanism and aerosol formation studies. To validate its performance, characterisation experiments were conducted to determine wall loss and radical formation under irradiation by UV lamps. Two different types of blacklights commonly used in indoor chambers are used as light sources, and the results using these different lamps are investigated. Gas-phase results were compared against predictions from the latest version of the SAPRC chemical mechanism. The SAPRC mechanism gave accurate results for hydrocarbon reaction and oxidation formation for propene and o-xylene experiments, regardless of the light source used, with variations in ozone concentrations between experiment and modelled results typically less than 10 % over 6-h irradiation. The SAPRC predictions for p-xylene photooxidation showed overprediction in the rate of oxidation, although no major variations were determined in mechanism results for different blacklight sources. Additionally, no significant differences in the yields of aerosol arising from new particle formation were discernible regardless of the light source used under these conditions.
Additional keywords: ozone, p-xylene, propene, smog chamber characterisation, volatile organic compounds.
References
Arey J, Obermeyer G, Aschmann SM, Chattopadhyay S, Cusick RD, Atkinson R (2009). Dicarbonyl products of the OH radical-initiated reaction of a series of aromatic hydrocarbons. Environmental Science & Technology 43, 683–689.| Dicarbonyl products of the OH radical-initiated reaction of a series of aromatic hydrocarbonsCrossref | GoogleScholarGoogle Scholar |
Atkinson R, Baulch DL, Cox RA, Crowley JN, Hampson RF, Hynes RG, Jenkin ME, Rossi MJ, Troe J (2004). Evaluated kinetic and photochemical data for atmospheric chemistry: Volume I. Gas-phase reactions of Ox, HOx, NOx and SOx species. Atmospheric Chemistry and Physics 4, 1461–1738.
| Evaluated kinetic and photochemical data for atmospheric chemistry: Volume I. Gas-phase reactions of Ox, HOx, NOx and SOx speciesCrossref | GoogleScholarGoogle Scholar |
Azzi M, White S, Angove D, Jamie I, Kaduewela A (2010). Evaluation of the SAPRC-07 mechanism against CSIRO smog chamber data. Atmospheric Environment 44, 1707–1713.
| Evaluation of the SAPRC-07 mechanism against CSIRO smog chamber dataCrossref | GoogleScholarGoogle Scholar |
Bierbach A, Barnes I, Becker KH, Wiesen E (1994). Atmospheric chemistry of unsaturated carbonyls: butenadial, 4-oxo-2-pentenal, 3-hexene-2,5-dione, maleic anhydride, 3H-furan-2-one, and 5-methyl-3H-furan-2-one. Environmental Science & Technology 28, 715–729.
| Atmospheric chemistry of unsaturated carbonyls: butenadial, 4-oxo-2-pentenal, 3-hexene-2,5-dione, maleic anhydride, 3H-furan-2-one, and 5-methyl-3H-furan-2-oneCrossref | GoogleScholarGoogle Scholar |
Carter WPL (2015). Documentation of the SAPRC chemical mechanism modeling system and files. Part I. Basic System. Draft report to the California Air Resources Board Contract No. 11–761. pp. 1–88. (College of Engineering, Center for Environmental Research and Technology University of California: Riverside, CA). Available at: https://www.cert.ucr.edu/~carter/SAPRC/ModelPgm.pdf [verified 28 May 2018]
Carter WPL, Heo G (2013). Development of revised SAPRC aromatics mechanisms. Atmospheric Environment 77, 404–414.
| Development of revised SAPRC aromatics mechanismsCrossref | GoogleScholarGoogle Scholar |
Carter WP, Lurmann FW (1991). Evaluation of a detailed gas-phase atmospheric reaction mechanism using environmental chamber data. Atmospheric Environment. Part A, General Topics 25, 2771–2806.
| Evaluation of a detailed gas-phase atmospheric reaction mechanism using environmental chamber dataCrossref | GoogleScholarGoogle Scholar |
Carter WP, Cocker DR, Fitz DR, Malkina IL, Bumiller K, Sauer CG, Pisano JT, Bufalino C, Song C (2005). A new environmental chamber for evaluation of gas-phase chemical mechanisms and secondary aerosol formation. Atmospheric Environment 39, 7768–7788.
| A new environmental chamber for evaluation of gas-phase chemical mechanisms and secondary aerosol formationCrossref | GoogleScholarGoogle Scholar |
Chu P, Guenther F, Rhoderick G, Lafferty W (1999). The NIST quantitative infrared database. Journal of Research of the National Institute of Standards and Technology 104, 59–81.
| The NIST quantitative infrared databaseCrossref | GoogleScholarGoogle Scholar |
Clifford GM, Hadj-Aïssa A, Healy RM, Mellouki A, Munoz A, Wirtz K, Martín Reviejo M, Borrás E, Wenger JC (2011). The atmospheric photolysis of o-tolualdehyde. Environmental Science & Technology 45, 9649–9657.
| The atmospheric photolysis of o-tolualdehydeCrossref | GoogleScholarGoogle Scholar |
Finlayson-Pitts BJ, Pitts JN (1997). Tropospheric air pollution: ozone, airborne toxics, polycyclic aromatic hydrocarbons, and particles. Science 276, 1045–1051.
| Tropospheric air pollution: ozone, airborne toxics, polycyclic aromatic hydrocarbons, and particlesCrossref | GoogleScholarGoogle Scholar |
Finlayson-Pitts B, Wingen L, Sumner A, Syomin D, Ramazan K (2003). The heterogeneous hydrolysis of NO2 in laboratory systems and in outdoor and indoor atmospheres: an integrated mechanism. Physical Chemistry Chemical Physics 5, 223–242.
| The heterogeneous hydrolysis of NO2 in laboratory systems and in outdoor and indoor atmospheres: an integrated mechanismCrossref | GoogleScholarGoogle Scholar |
Fuchs H, Dorn H-P, Bachner M, Bohn B, Brauers T, Gomm S, Hofzumahaus A, Holland F, Nehr S, Rohrer F (2012). Comparison of OH concentration measurements by DOAS and LIF during SAPHIR chamber experiments at high OH reactivity and low NO concentration. Atmospheric Measurement Techniques 5, 1611–1626.
| Comparison of OH concentration measurements by DOAS and LIF during SAPHIR chamber experiments at high OH reactivity and low NO concentrationCrossref | GoogleScholarGoogle Scholar |
Griffith DW (1996). Synthetic calibration and quantitative analysis of gas-phase FT-IR spectra. Applied Spectroscopy 50, 59–70.
| Synthetic calibration and quantitative analysis of gas-phase FT-IR spectraCrossref | GoogleScholarGoogle Scholar |
Hanst PL (2002). Long-path gas cells. In ‘Handbook of Vibrational Spectroscopy’. (Eds JM Chalmers, PR Griffiths) pp. 960–968. (John Wiley & Sons: Chichester, UK)
Hastie DR, Gray J, Langford VS, Maclagan RG, Milligan DB, McEwan MJ (2010). Real‐time measurement of peroxyacetyl nitrate using selected ion flow tube mass spectrometry. Rapid Communications in Mass Spectrometry 24, 343–348.
| Real‐time measurement of peroxyacetyl nitrate using selected ion flow tube mass spectrometryCrossref | GoogleScholarGoogle Scholar |
Horie O, Moortgat G (1991). Decomposition pathways of the excited Criegee intermediates in the ozonolysis of simple alkenes. Atmospheric Environment. Part A, General Topics 25, 1881–1896.
| Decomposition pathways of the excited Criegee intermediates in the ozonolysis of simple alkenesCrossref | GoogleScholarGoogle Scholar |
Hynes R, Angove D, Saunders S, Haverd V, Azzi M (2005). Evaluation of two MCM v3.1 alkene mechanisms using indoor environmental chamber data. Atmospheric Environment 39, 7251–7262.
| Evaluation of two MCM v3.1 alkene mechanisms using indoor environmental chamber dataCrossref | GoogleScholarGoogle Scholar |
Klotz B, Sørensen S, Barnes I, Becker KH, Etzkorn T, Volkamer R, Platt U, Wirtz K, Martín-Reviejo M (1998). Atmospheric oxidation of toluene in a large-volume outdoor photoreactor: in situ determination of ring-retaining product yields. The Journal of Physical Chemistry A 102, 10289–10299.
| Atmospheric oxidation of toluene in a large-volume outdoor photoreactor: in situ determination of ring-retaining product yieldsCrossref | GoogleScholarGoogle Scholar |
Krechmer JE, Pagonis D, Ziemann PJ, Jimenez JL (2016). Quantification of gas-wall partitioning in Teflon environmental chambers using rapid bursts of low-volatility oxidized species generated in situ. Environmental Science & Technology 50, 5757–5765.
| Quantification of gas-wall partitioning in Teflon environmental chambers using rapid bursts of low-volatility oxidized species generated in situCrossref | GoogleScholarGoogle Scholar |
Lambe A, Ahern A, Williams L, Slowik J, Wong J, Abbatt J, Brune W, Ng N, Wright J, Croasdale D (2011). Characterization of aerosol photooxidation flow reactors: heterogeneous oxidation, secondary organic aerosol formation and cloud condensation nuclei activity measurements. Atmospheric Measurement Techniques 4, 445–461.
| Characterization of aerosol photooxidation flow reactors: heterogeneous oxidation, secondary organic aerosol formation and cloud condensation nuclei activity measurementsCrossref | GoogleScholarGoogle Scholar |
Lee S, Jang M, Kamens RM (2004). SOA formation from the photooxidation of α-pinene in the presence of freshly emitted diesel soot exhaust. Atmospheric Environment 38, 2597–2605.
| SOA formation from the photooxidation of α-pinene in the presence of freshly emitted diesel soot exhaustCrossref | GoogleScholarGoogle Scholar |
Lee S-B, Bae G-N, Moon K-C (2009). Smog chamber measurements. In ‘Atmospheric and Biological Environmental Monitoring’. (Eds YJ Kim, U Platt, MB Gu, H Iwahashi) pp. 105–136. (Springer: Dordrecht, the Netherlands)
Leskinen A, Yli-Pirilä P, Kuuspalo K, Sippula O, Jalava P, Jokiniemi J, Virtanen A, Komppula M, Lehtinen K (2015). Characterization and testing of a new environmental chamber. Atmospheric Measurement Techniques 8, 2267–2278.
| Characterization and testing of a new environmental chamberCrossref | GoogleScholarGoogle Scholar |
Li K, Chen L, White SJ, Yu H, Wu X, Gao X, Azzi M, Cen K (2018). Smog chamber study of the role of NH3 in new particle formation from photo-oxidation of aromatic hydrocarbons. The Science of the Total Environment 619–620, 927–937.
| Smog chamber study of the role of NH3 in new particle formation from photo-oxidation of aromatic hydrocarbonsCrossref | GoogleScholarGoogle Scholar |
Loza CL, Chan AW, Galloway MM, Keutsch FN, Flagan RC, Seinfeld JH (2010). Characterization of vapor wall loss in laboratory chambers. Environmental Science & Technology 44, 5074–5078.
| Characterization of vapor wall loss in laboratory chambersCrossref | GoogleScholarGoogle Scholar |
Matsunaga A, Ziemann PJ (2010). Gas-wall partitioning of organic compounds in a Teflon film chamber and potential effects on reaction product and aerosol yield measurements. Aerosol Science and Technology 44, 881–892.
| Gas-wall partitioning of organic compounds in a Teflon film chamber and potential effects on reaction product and aerosol yield measurementsCrossref | GoogleScholarGoogle Scholar |
McMurry PH, Grosjean D (1985). Gas and aerosol wall losses in Teflon film smog chambers. Environmental Science & Technology 19, 1176–1182.
| Gas and aerosol wall losses in Teflon film smog chambersCrossref | GoogleScholarGoogle Scholar |
Niki H, Maker P, Savage C, Breitenbach L (1978). Mechanism for hydroxyl radical-initiated oxidation of olefin–nitric oxide mixtures in parts per million concentrations. Journal of Physical Chemistry 82, 135–137.
| Mechanism for hydroxyl radical-initiated oxidation of olefin–nitric oxide mixtures in parts per million concentrationsCrossref | GoogleScholarGoogle Scholar |
Parikh HM, Jeffries HE, Sexton KG, Luecken DJ, Kamens RM, Vizuete W (2013). Evaluation of aromatic oxidation reactions in seven chemical mechanisms with an outdoor chamber. Environmental Chemistry 10, 245–259.
| Evaluation of aromatic oxidation reactions in seven chemical mechanisms with an outdoor chamberCrossref | GoogleScholarGoogle Scholar |
Robinson AL, Donahue NM, Shrivastava MK, Weitkamp EA, Sage AM, Grieshop AP, Lane TE, Pierce JR, Pandis SN (2007). Rethinking organic aerosols: semivolatile emissions and photochemical aging. Science 315, 1259–1262.
| Rethinking organic aerosols: semivolatile emissions and photochemical agingCrossref | GoogleScholarGoogle Scholar |
Rohrer F, Bohn B, Brauers T, Brüning D, Johnen F-J, Wahner A, Kleffmann J (2005). Characterisation of the photolytic HONO-source in the atmosphere simulation chamber SAPHIR. Atmospheric Chemistry and Physics 5, 2189–2201.
| Characterisation of the photolytic HONO-source in the atmosphere simulation chamber SAPHIRCrossref | GoogleScholarGoogle Scholar |
Rothman LS, Gordon IE, Babikov Y, Barbe A, Benner DC, Bernath PF, Birk M, Bizzocchi L, Boudon V, Brown LR, Campargue A, Chance K, Cohen E, Coudert L, Devi V, Drouin B, Fayt A, Flaud J-M, Gamache R, Harrison J, Hartmann J-M, Hill C, Hodges J, Jacquemart D, Jolly A, Lamouroux J, Le Roy R, Li G, Long DL, Lyulin OM, Mackie C, Massie S, Mikhailenko S, Müller H, Naumenko O, Nikitin A, Orphal J, Perevalov V, Perrin A, Polovtseva E, Richard C, Smith M, Starikova E, Sung K, Tashkun S, Tennyson J, Toon G, Tyuterev VG, Wagner G (2013). The HITRAN2012 molecular spectroscopic database. Journal of Quantitative Spectroscopy & Radiative Transfer 130, 4–50.
| The HITRAN2012 molecular spectroscopic databaseCrossref | GoogleScholarGoogle Scholar |
Sato K, Takami A, Isozaki T, Hikida T, Shimono A, Imamura T (2010). Mass spectrometric study of secondary organic aerosol formed from the photo-oxidation of aromatic hydrocarbons. Atmospheric Environment 44, 1080–1087.
| Mass spectrometric study of secondary organic aerosol formed from the photo-oxidation of aromatic hydrocarbonsCrossref | GoogleScholarGoogle Scholar |
Sharpe SW, Johnson TJ, Sams RL, Chu PM, Rhoderick GC, Johnson PA (2004). Gas-phase databases for quantitative infrared spectroscopy. Applied Spectroscopy 58, 1452–1461.
| Gas-phase databases for quantitative infrared spectroscopyCrossref | GoogleScholarGoogle Scholar |
Song C, Na K, Warren B, Malloy Q, Cocker DR (2007). Secondary organic aerosol formation from the photooxidation of p- and o-xylene. Environmental Science & Technology 41, 7403–7408.
| Secondary organic aerosol formation from the photooxidation of p- and o-xyleneCrossref | GoogleScholarGoogle Scholar |
Tang Y, Zhu L (2005). Photolysis of butenedial at 193, 248, 280, 308, 351, 400, and 450 nm. Chemical Physics Letters 409, 151–156.
| Photolysis of butenedial at 193, 248, 280, 308, 351, 400, and 450 nmCrossref | GoogleScholarGoogle Scholar |
Trump ER, Epstein SA, Riipinen I, Donahue NM (2016). Wall effects in smog chamber experiments: a model study. Aerosol Science and Technology 50, 1180–1200.
| Wall effects in smog chamber experiments: a model studyCrossref | GoogleScholarGoogle Scholar |
Tuazon EC, Atkinson R, Carter WP (1985). Atmospheric chemistry of cis- and trans-3-hexene-2,5-dione. Environmental Science & Technology 19, 265–269.
| Atmospheric chemistry of cis- and trans-3-hexene-2,5-dioneCrossref | GoogleScholarGoogle Scholar |
Tuazon EC, Aschmann SM, Arey J, Atkinson R (1997). Products of the gas-phase reactions of O3 with a series of methyl-substituted ethenes. Environmental Science & Technology 31, 3004–3009.
| Products of the gas-phase reactions of O3 with a series of methyl-substituted ethenesCrossref | GoogleScholarGoogle Scholar |
Wang W-G, Li K, Zhou L, Ge M-F, Hou S-Q, Tong S-R, Mu Y-J, Jia L (2015). Evaluation and application of dual-reactor chamber for studying atmospheric oxidation processes and mechanisms. Wuli Huaxue Xuebao 31, 1251–1259.
Wang X, Liu T, Bernard F, Ding X, Wen S, Zhang Y, Zhang Z, He Q, Lü S, Chen J, Saunders S, Yu J (2014). Design and characterization of a smog chamber for studying gas-phase chemical mechanisms and aerosol formation. Atmospheric Measurement Techniques 7, 301–313.
| Design and characterization of a smog chamber for studying gas-phase chemical mechanisms and aerosol formationCrossref | GoogleScholarGoogle Scholar |
Warren B, Song C, Cocker DR (2008). Light intensity and light source influence on secondary organic aerosol formation for the m-xylene/NOx photooxidation system. Environmental Science & Technology 42, 5461–5466.
| Light intensity and light source influence on secondary organic aerosol formation for the m-xylene/NOx photooxidation systemCrossref | GoogleScholarGoogle Scholar |
Xiang B, Zhu L, Tang Y (2007). Photolysis of 4-oxo-2-pentenal in the 190–460-nm region. The Journal of Physical Chemistry A 111, 9025–9033.
| Photolysis of 4-oxo-2-pentenal in the 190–460-nm regionCrossref | GoogleScholarGoogle Scholar |
Zhang X, Cappa CD, Jathar SH, McVay RC, Ensberg JJ, Kleeman MJ, Seinfeld JH (2014). Influence of vapor wall loss in laboratory chambers on yields of secondary organic aerosol. Proceedings of the National Academy of Sciences of the United States of America 111, 5802–5807.
| Influence of vapor wall loss in laboratory chambers on yields of secondary organic aerosolCrossref | GoogleScholarGoogle Scholar |
Zhang X, Schwantes R, McVay R, Lignell H, Coggon M, Flagan R, Seinfeld J (2015). Vapor wall deposition in Teflon chambers. Atmospheric Chemistry and Physics 15, 4197–4214.
| Vapor wall deposition in Teflon chambersCrossref | GoogleScholarGoogle Scholar |
