Articles | Volume 17, issue 14
https://doi.org/10.5194/amt-17-4553-2024
© Author(s) 2024. This work is distributed under
the Creative Commons Attribution 4.0 License.
the Creative Commons Attribution 4.0 License.
https://doi.org/10.5194/amt-17-4553-2024
© Author(s) 2024. This work is distributed under
the Creative Commons Attribution 4.0 License.
the Creative Commons Attribution 4.0 License.
Research article
| 
31 Jul 2024
Research article |
| 31 Jul 2024
| 31 Jul 2024
Characterization of a new Teflon chamber and on-line analysis of isomeric multifunctional photooxidation products
Department of Atmospheric Chemistry, University of Bayreuth, 95447 Bayreuth, Germany
Bayreuth Center of Ecology and Environmental Research (BayCEER), University of Bayreuth, 95447 Bayreuth, Germany
Esther Borrás
Fundación Centro de Estudios Ambientales del Mediterráneo (CEAM), 46980 Paterna, Valencia, Spain
Amalia Muñoz
Fundación Centro de Estudios Ambientales del Mediterráneo (CEAM), 46980 Paterna, Valencia, Spain
Anke Christine Nölscher
CORRESPONDING AUTHOR
Department of Atmospheric Chemistry, University of Bayreuth, 95447 Bayreuth, Germany
Bayreuth Center of Ecology and Environmental Research (BayCEER), University of Bayreuth, 95447 Bayreuth, Germany
Related authors
Finja Löher, Mark A. Blitz, Paul W. Seakins, Nicola Carslaw, and Terry J. Dillon
EGUsphere, https://doi.org/10.5194/egusphere-2026-1660, https://doi.org/10.5194/egusphere-2026-1660, 2026
This preprint is open for discussion and under review for Atmospheric Chemistry and Physics (ACP).
Short summary
Short summary
Ethyl butyrate and its methylated derivatives are volatile and commonly used aroma compounds, yet their gas-phase chemistry and air quality impact remain poorly characterised. In this work, we investigated the reactivity of these compounds experimentally. We determined temperature-dependent rate coefficients for their reaction with the main atmospheric oxidant, OH, and found that this was the dominant tropospheric loss process. In contrast, direct photolysis is negligible under most conditions.
Finja Löher, Mark A. Blitz, Paul W. Seakins, Nicola Carslaw, and Terry J. Dillon
EGUsphere, https://doi.org/10.5194/egusphere-2026-1660, https://doi.org/10.5194/egusphere-2026-1660, 2026
This preprint is open for discussion and under review for Atmospheric Chemistry and Physics (ACP).
Short summary
Short summary
Ethyl butyrate and its methylated derivatives are volatile and commonly used aroma compounds, yet their gas-phase chemistry and air quality impact remain poorly characterised. In this work, we investigated the reactivity of these compounds experimentally. We determined temperature-dependent rate coefficients for their reaction with the main atmospheric oxidant, OH, and found that this was the dominant tropospheric loss process. In contrast, direct photolysis is negligible under most conditions.
Hendrik Fuchs, Niklas Illmann, Amalia Muñoz, Mila Ródenas, Bénédicte Picquet-Varrault, M. Rami Alfarra, Cecilia Arsene, Iustinian G. Bejan, David M. Bell, Merete Bilde, Alexander Böhmländer, Mixtli Campos-Pineda, Mathieu Cazaunau, Patrice Coll, Véronique Daële, Claudia Di Biagio, Michael Flynn, Paola Formenti, Hartmut Herrmann, Kristina Höhler, Thorsten Hohaus, Matthew S. Johnson, Eija Juurola, Niku Kivekäs, Jan Kaiser, Christos Kaltsonoudis, Paolo Laj, Dario Massabò, Federico Mazzei, Gordon McFiggans, Max R. McGillen, Abdelwahid Mellouki, Peter Mettke, Ottmar Möhler, Falk Mothes, Dennis Niedermeier, Anna Novelli, Romeo I. Olariu, Spyros N. Pandis, Iulia Patroescu-Klotz, Rosa Maria Petracca Altieri, Paolo Prati, Claudiu Roman, Albert A. Ruth, Harald Saathoff, Silvio Schmalfuß, Frank Stratmann, Virginia Vernocchi, Aristeidis Voliotis, Jens Voigtländer, Annele Virtanen, Andreas Wahner, Robert Wagner, John Wenger, Sören Zorn, Peter Wiesen, and Jean-Francois Doussin
EGUsphere, https://doi.org/10.5194/egusphere-2026-1612, https://doi.org/10.5194/egusphere-2026-1612, 2026
This preprint is open for discussion and under review for Atmospheric Measurement Techniques (AMT).
Short summary
Short summary
Atmospheric simulation chambers enable experiments to be conducted under controlled conditions, improving our understanding of, and ability to predict, changes in the composition of the atmosphere. This is important for assessing air quality and its effects on human health, climate, the environment, and the economy. This paper describes the chambers of the European ACTRIS research infrastructure and discusses topics and directions that can be addressed in future chamber experiments.
Bashir Olasunkanmi Ayinde, Wolfgang Babel, Johannes Olesch, Daniel Wagner, Seema Agarwal, Christian Laforsch, Julian Brehm, Anke Nölscher, and Christoph Karl Thomas
Aerosol Research Discuss., https://doi.org/10.5194/ar-2026-2, https://doi.org/10.5194/ar-2026-2, 2026
Preprint under review for AR
Short summary
Short summary
The dynamics of how tire wear particles behaves prior to their entrainment are still poorly understood. In wind tunnel experiments, these particle detachment from an idealised glass substrate were monitored. For particle size above 80 μm, smaller and more rounded particles were mobilised by wind shear first, whereas larger and more angular particles require stronger wind shear, highlighting strong surface adhesion and particle morphology as the major factors influencing microplastic detachment.
Elisabeth Eckenberger, Andreas Mittereder, Nadine Gawlitta, Martin Sklorz, Dieter Brüggemann, Ralf Zimmermann, and Anke Christine Nölscher
EGUsphere, https://doi.org/10.5194/egusphere-2025-6287, https://doi.org/10.5194/egusphere-2025-6287, 2026
Short summary
Short summary
Ozone in sampling air can alter the chemical composition of collected ultrafine particles, leading to an inaccurate air quality assessment. We addressed this by developing a ceramic device coated with sodium thiosulfate that eliminates ozone before it reaches the filter. Our results show this tool effectively preserves ozone-sensitive components, such as polycyclic aromatic hydrocarbons, without particle losses. This contributes to more reliable data for air quality research.
Elisabeth Eckenberger, Andreas Mittereder, Nadine Gawlitta, Jürgen Schnelle-Kreis, Martin Sklorz, Dieter Brüggemann, Ralf Zimmermann, and Anke C. Nölscher
Aerosol Research, 3, 45–64, https://doi.org/10.5194/ar-3-45-2025, https://doi.org/10.5194/ar-3-45-2025, 2025
Short summary
Short summary
We assessed the performance of four cascade impactors for collecting and analyzing organic markers in airborne ultrafine particles (UFPs) under lab and field conditions. The cutoff was influenced by the impactor design and aerosol mixture. Two key factors caused variations in mass concentrations: the evaporation of semi-volatile compounds and the "bounce-off" of larger particles and fragments. Our findings reveal the challenges of analyzing organic marker mass concentrations in airborne UFPs.
Luiz A. T. Machado, Jürgen Kesselmeier, Santiago Botía, Hella van Asperen, Meinrat O. Andreae, Alessandro C. de Araújo, Paulo Artaxo, Achim Edtbauer, Rosaria R. Ferreira, Marco A. Franco, Hartwig Harder, Sam P. Jones, Cléo Q. Dias-Júnior, Guido G. Haytzmann, Carlos A. Quesada, Shujiro Komiya, Jost Lavric, Jos Lelieveld, Ingeborg Levin, Anke Nölscher, Eva Pfannerstill, Mira L. Pöhlker, Ulrich Pöschl, Akima Ringsdorf, Luciana Rizzo, Ana M. Yáñez-Serrano, Susan Trumbore, Wanda I. D. Valenti, Jordi Vila-Guerau de Arellano, David Walter, Jonathan Williams, Stefan Wolff, and Christopher Pöhlker
Atmos. Chem. Phys., 24, 8893–8910, https://doi.org/10.5194/acp-24-8893-2024, https://doi.org/10.5194/acp-24-8893-2024, 2024
Short summary
Short summary
Composite analysis of gas concentration before and after rainfall, during the day and night, gives insight into the complex relationship between trace gas variability and precipitation. The analysis helps us to understand the sources and sinks of trace gases within a forest ecosystem. It elucidates processes that are not discernible under undisturbed conditions and contributes to a deeper understanding of the trace gas life cycle and its intricate interactions with cloud dynamics in the Amazon.
Julius Seidler, Markus N. Friedrich, Christoph K. Thomas, and Anke C. Nölscher
Atmos. Chem. Phys., 24, 137–153, https://doi.org/10.5194/acp-24-137-2024, https://doi.org/10.5194/acp-24-137-2024, 2024
Short summary
Short summary
Here, we study the transport of ultrafine particles (UFPs) from an airport to two new adjacent measuring sites for 1 year. The number of UFPs in the air and the diurnal variation are typical urban. Winds from the airport show increased number concentrations. Additionally, considering wind frequencies, we estimate that, from all UFPs measured at the two sites, 10 %–14 % originate from the airport and/or other UFP sources from between the airport and site.
Esther Borrás, Luis A. Tortajada-Genaro, Milagro Ródenas, Teresa Vera, Thomas Speak, Paul Seakins, Marvin D. Shaw, Alastair C. Lewis, and Amalia Muñoz
Atmos. Meas. Tech., 14, 4989–4999, https://doi.org/10.5194/amt-14-4989-2021, https://doi.org/10.5194/amt-14-4989-2021, 2021
Short summary
Short summary
This work presents promising results in the characterization of specific atmospheric pollutants (oxygenated VOCs) present at very low but highly relevant concentrations.
We carried out this research at EUPHORE facilities within the framework of the EUROCHAMP project. A new analytical method, with high robustness and precision, also clean in the use of solvents, low cost, and easily adaptable for use in mobile laboratories for air quality monitoring, is presented.
Cited articles
Alfarra, R., Camredon, M., Cazaunau, M., Doussin, J.-F., Fuchs, H., Jorga, S., McFiggans, G., Newland, M. J., Pandis, S., Rickard, A. R., and Saathoff, H.: Physical and Chemical Characterization of the Chamber, in: A Practical Guide to Atmospheric Simulation Chambers, edited by: Doussin, J.-F., Fuchs, H., Kiendler-Scharr, A., Seakins, P., and Wenger, J., Springer International Publishing, Cham, 73–111, https://doi.org/10.1007/978-3-031-22277-1_2, 2023.
Altshuller, A. P.: Ambient Air Hydroxyl Radical Concentrations: Measurements and Model Predictions, JAPCA, 39, 704–708, https://doi.org/10.1080/08940630.1989.10466556, 1989.
Arthur, C. L. and Pawliszyn, J.: Solid phase microextraction with thermal desorption using fused silica optical fibers, Anal. Chem., 62, 2145–2148, https://doi.org/10.1021/ac00218a019, 1990.
Atkinson, R. and Aschmann, S. M.: Products of the gas-phase reactions of aromatic hydrocarbons: Effect of NO2 concentration, Int. J. Chem. Kinet., 26, 929–944, https://doi.org/10.1002/kin.550260907, 1994.
Atkinson, R., Carter, W. P. L., Darnall, K. R., Winer, A. M., and Pitts Jr., J. N.: A smog chamber and modeling study of the gas phase NOx–air photooxidation of toluene and the cresols, Int. J. Chem. Kinet., 12, 779–836, https://doi.org/10.1002/kin.550121102, 1980.
Atkinson, R., Carter, W. P. L., and Winer, A. M.: Effects of pressure on product yields in the nitrogen oxide (NOx) photooxidations of selected aromatic hydrocarbons, J. Phys. Chem., 87, 1605–1610, https://doi.org/10.1021/j100232a029, 1983.
Atkinson, R., Aschmann, S. M., Arey, J., and Carter, W. P. L.: Formation of ring-retaining products from the OH radical-initiated reactions of benzene and toluene, Int. J. Chem. Kinet., 21, 801–827, https://doi.org/10.1002/kin.550210907, 1989.
Baltaretu, C. O., Lichtman, E. I., Hadler, A. B., and Elrod, M. J.: Primary Atmospheric Oxidation Mechanism for Toluene, J. Phys. Chem. A, 113, 221–230, https://doi.org/10.1021/jp806841t, 2009.
Bartelt, R. J.: Calibration of a Commercial Solid-Phase Microextraction Device for Measuring Headspace Concentrations of Organic Volatiles, Anal. Chem., 69, 364–372, https://doi.org/10.1021/ac960820n, 1997.
Behnke, W., Holländer, W., Koch, W., Nolting, F., and Zetzsch, C.: A smog chamber for studies of the photochemical degradation of chemicals in the presence of aerosols, Atmos. Environ. 1967, 22, 1113–1120, https://doi.org/10.1016/0004-6981(88)90341-1, 1988.
Bell, D., Doussin, J.-F., and Hohaus, T.: Preparation of Simulation Chambers for Experiments, in: A Practical Guide to Atmospheric Simulation Chambers, edited by: Doussin, J.-F., Fuchs, H., Kiendler-Scharr, A., Seakins, P., and Wenger, J., Springer International Publishing, Cham, 113–127, https://doi.org/10.1007/978-3-031-22277-1_3, 2023.
Berndt, T., Scholz, W., Mentler, B., Fischer, L., Herrmann, H., Kulmala, M., and Hansel, A.: Accretion Product Formation from Self- and Cross-Reactions of RO2 Radicals in the Atmosphere, Angew. Chem. Int. Ed., 57, 3820–3824, https://doi.org/10.1002/anie.201710989, 2018.
Bleicher, S.: Zur Halogenaktivierung im Aerosol und in Salzpfannen, Doctoral thesis, University of Bayreuth, Bayreuth, 181 pp., URN urn:nbn:de:bvb:703-opus4-13701, 2012.
Bloss, C., Wagner, V., Jenkin, M. E., Volkamer, R., Bloss, W. J., Lee, J. D., Heard, D. E., Wirtz, K., Martin-Reviejo, M., Rea, G., Wenger, J. C., and Pilling, M. J.: Development of a detailed chemical mechanism (MCMv3.1) for the atmospheric oxidation of aromatic hydrocarbons, Atmos. Chem. Phys., 5, 641–664, https://doi.org/10.5194/acp-5-641-2005, 2005.
Bohn, B., Rohrer, F., Brauers, T., and Wahner, A.: Actinometric measurements of NO2 photolysis frequencies in the atmosphere simulation chamber SAPHIR, Atmos. Chem. Phys., 5, 493–503, https://doi.org/10.5194/acp-5-493-2005, 2005.
Borrás, E., Tortajada-Genaro, L. A., Ródenas, M., Vera, T., Speak, T., Seakins, P., Shaw, M. D., Lewis, A. C., and Muñoz, A.: On-line solid phase microextraction derivatization for the sensitive determination of multi-oxygenated volatile compounds in air, Atmos. Meas. Tech., 14, 4989–4999, https://doi.org/10.5194/amt-14-4989-2021, 2021.
Buxmann, J., Balzer, N., Bleicher, S., Platt, U., and Zetzsch, C.: Observations of bromine explosions in smog chamber experiments above a model salt pan, Int. J. Chem. Kinet., 44, 312–326, https://doi.org/10.1002/kin.20714, 2012.
Cabrera-Perez, D., Taraborrelli, D., Sander, R., and Pozzer, A.: Global atmospheric budget of simple monocyclic aromatic compounds, Atmos. Chem. Phys., 16, 6931–6947, https://doi.org/10.5194/acp-16-6931-2016, 2016.
Carter, W. P. L., Winer, A. M., Darnall, K. R., and Pitts, J. N. Jr.: Smog chamber studies of temperature effects in photochemical smog, Environ. Sci. Technol., 13, 1094–1100, https://doi.org/10.1021/es60157a006, 1979.
Carter, W. P. L., Cocker, D. R., Fitz, D. R., Malkina, I. L., Bumiller, K., Sauer, C. G., Pisano, J. T., Bufalino, C., and Song, C.: A new environmental chamber for evaluation of gas-phase chemical mechanisms and secondary aerosol formation, Atmos. Environ., 39, 7768–7788, https://doi.org/10.1016/j.atmosenv.2005.08.040, 2005.
Charan, S. M., Buenconsejo, R. S., and Seinfeld, J. H.: Secondary organic aerosol yields from the oxidation of benzyl alcohol, Atmos. Chem. Phys., 20, 13167–13190, https://doi.org/10.5194/acp-20-13167-2020, 2020.
Chu, B., Chen, T., Liu, Y., Ma, Q., Mu, Y., Wang, Y., Ma, J., Zhang, P., Liu, J., Liu, C., Gui, H., Hu, R., Hu, B., Wang, X., Wang, Y., Liu, J., Xie, P., Chen, J., Liu, Q., Jiang, J., Li, J., He, K., Liu, W., Jiang, G., Hao, J., and He, H.: Application of smog chambers in atmospheric process studies, Natl. Sci. Rev., 9, nwab103, https://doi.org/10.1093/nsr/nwab103, 2022.
Dumdei, B. E., Kenny, D. V., Shepson, P. B., Kleindienst, T. E., Nero, C. M., Cupitt, L. T., and Claxton, L. D.: MS/MS analysis of the products of toluene photooxidation and measurement of their mutagenic activity, Environ. Sci. Technol., 22, 1493–1498, https://doi.org/10.1021/es00177a017, 1988.
Finlayson-Pitts, B. J. and Pitts Jr., J. N.: Chemistry of the Upper and Lower Atmosphere: Theory, Experiments, and Applications, Elsevier, 993 pp., https://doi.org/10.1016/B978-0-12-257060-5.X5000-X, 2000.
Galloway, M. M., Huisman, A. J., Yee, L. D., Chan, A. W. H., Loza, C. L., Seinfeld, J. H., and Keutsch, F. N.: Yields of oxidized volatile organic compounds during the OH radical initiated oxidation of isoprene, methyl vinyl ketone, and methacrolein under high-NOx conditions, Atmos. Chem. Phys., 11, 10779–10790, https://doi.org/10.5194/acp-11-10779-2011, 2011.
Gkatzelis, G. I., Hohaus, T., Tillmann, R., Gensch, I., Müller, M., Eichler, P., Xu, K.-M., Schlag, P., Schmitt, S. H., Yu, Z., Wegener, R., Kaminski, M., Holzinger, R., Wisthaler, A., and Kiendler-Scharr, A.: Gas-to-particle partitioning of major biogenic oxidation products: a study on freshly formed and aged biogenic SOA, Atmos. Chem. Phys., 18, 12969–12989, https://doi.org/10.5194/acp-18-12969-2018, 2018.
Gómez Alvarez, E., Viidanoja, J., Muñoz, A., Wirtz, K., and Hjorth, J.: Experimental Confirmation of the Dicarbonyl Route in the Photo-oxidation of Toluene and Benzene, Environ. Sci. Technol., 41, 8362–8369, https://doi.org/10.1021/es0713274, 2007.
Gómez Alvarez, E., Moreno, M. V., Gligorovski, S., Wortham, H., and Cases, M. V.: Characterisation and calibration of active sampling Solid Phase Microextraction applied to sensitive determination of gaseous carbonyls, Talanta, 88, 252–258, https://doi.org/10.1016/j.talanta.2011.10.039, 2012.
Grosjean, D.: Wall loss of gaseous pollutants in outdoor Teflon chambers, Environ. Sci. Technol., 19, 1059–1065, https://doi.org/10.1021/es00141a006, 1985.
Henze, D. K., Seinfeld, J. H., Ng, N. L., Kroll, J. H., Fu, T.-M., Jacob, D. J., and Heald, C. L.: Global modeling of secondary organic aerosol formation from aromatic hydrocarbons: high- vs. low-yield pathways, Atmos. Chem. Phys., 8, 2405–2420, https://doi.org/10.5194/acp-8-2405-2008, 2008.
Hu, D., Tolocka, M., Li, Q., and Kamens, R. M.: A kinetic mechanism for predicting secondary organic aerosol formation from toluene oxidation in the presence of NOx and natural sunlight, Atmos. Environ., 41, 6478–6496, https://doi.org/10.1016/j.atmosenv.2007.04.025, 2007.
Huang, Y., Coggon, M. M., Zhao, R., Lignell, H., Bauer, M. U., Flagan, R. C., and Seinfeld, J. H.: The Caltech Photooxidation Flow Tube reactor: design, fluid dynamics and characterization, Atmos. Meas. Tech., 10, 839–867, https://doi.org/10.5194/amt-10-839-2017, 2017.
IUPAC: Evaluated Kinetic Data, International Union of Pure and Applied Chemistry (IUPAC) Task Group on Atmospheric Chemical Kinetic Data Evaluation, https://iupac.aeris-data.fr/ (last access: 5 February 2024), 2024.
Jang, M. and Kamens, R. M.: Newly characterized products and composition of secondary aerosols from the reaction of á-pinene with ozone, Atmos. Environ., 33, 459–474, https://doi.org/10.1016/S1352-2310(98)00222-2, 1999.
Jenkin, M. E., Saunders, S. M., Wagner, V., and Pilling, M. J.: Protocol for the development of the Master Chemical Mechanism, MCM v3 (Part B): tropospheric degradation of aromatic volatile organic compounds, Atmos. Chem. Phys., 3, 181–193, https://doi.org/10.5194/acp-3-181-2003, 2003.
Jenkin, M. E., Glowacki, D. R., Rickard, A. R., and Pilling, M. J.: Comment on “Primary Atmospheric Oxidation Mechanism for Toluene,” J. Phys. Chem. A, 113, 8136–8138, https://doi.org/10.1021/jp903119k, 2009.
Ji, Y., Zhao, J., Terazono, H., Misawa, K., Levitt, N. P., Li, Y., Lin, Y., Peng, J., Wang, Y., Duan, L., Pan, B., Zhang, F., Feng, X., An, T., Marrero-Ortiz, W., Secrest, J., Zhang, A. L., Shibuya, K., Molina, M. J., and Zhang, R.: Reassessing the atmospheric oxidation mechanism of toluene, P. Natl. Acad. Sci. USA, 114, 8169–8174, https://doi.org/10.1073/pnas.1705463114, 2017.
Kanakidou, M., Seinfeld, J. H., Pandis, S. N., Barnes, I., Dentener, F. J., Facchini, M. C., Van Dingenen, R., Ervens, B., Nenes, A., Nielsen, C. J., Swietlicki, E., Putaud, J. P., Balkanski, Y., Fuzzi, S., Horth, J., Moortgat, G. K., Winterhalter, R., Myhre, C. E. L., Tsigaridis, K., Vignati, E., Stephanou, E. G., and Wilson, J.: Organic aerosol and global climate modelling: a review, Atmos. Chem. Phys., 5, 1053–1123, https://doi.org/10.5194/acp-5-1053-2005, 2005.
Kiendler-Scharr, A., Becker, K.-H., Doussin, J.-F., Fuchs, H., Seakins, P., Wenger, J., and Wiesen, P.: Introduction to Atmospheric Simulation Chambers and Their Applications, in: A Practical Guide to Atmospheric Simulation Chambers, edited by: Doussin, J.-F., Fuchs, H., Kiendler-Scharr, A., Seakins, P., and Wenger, J., Springer International Publishing, Cham, 1–72, https://doi.org/10.1007/978-3-031-22277-1_1, 2023.
Klotz, B., Sørensen, S., Barnes, I., Becker, K. H., Etzkorn, T., Volkamer, R., Platt, U., Wirtz, K., and Martín-Reviejo, M.: Atmospheric Oxidation of Toluene in a Large-Volume Outdoor Photoreactor: In Situ Determination of Ring-Retaining Product Yields, J. Phys. Chem. A, 102, 10289–10299, https://doi.org/10.1021/jp982719n, 1998.
Koss, A. R., Sekimoto, K., Gilman, J. B., Selimovic, V., Coggon, M. M., Zarzana, K. J., Yuan, B., Lerner, B. M., Brown, S. S., Jimenez, J. L., Krechmer, J., Roberts, J. M., Warneke, C., Yokelson, R. J., and de Gouw, J.: Non-methane organic gas emissions from biomass burning: identification, quantification, and emission factors from PTR-ToF during the FIREX 2016 laboratory experiment, Atmos. Chem. Phys., 18, 3299–3319, https://doi.org/10.5194/acp-18-3299-2018, 2018.
Koziel, J. A. and Pawliszyn, J.: Air sampling and analysis of volatile organic compounds with solid phase microextraction, J. Air Waste Manag. Assoc., 51, 173–184, https://doi.org/10.1080/10473289.2001.10464263, 2001.
Krechmer, J. E., Day, D. A., and Jimenez, J. L.: Always Lost but Never Forgotten: Gas-Phase Wall Losses Are Important in All Teflon Environmental Chambers, Environ. Sci. Technol., 54, 12890–12897, https://doi.org/10.1021/acs.est.0c03381, 2020.
Lelieveld, J., Butler, T. M., Crowley, J. N., Dillon, T. J., Fischer, H., Ganzeveld, L., Harder, H., Lawrence, M. G., Martinez, M., Taraborrelli, D., and Williams, J.: Atmospheric oxidation capacity sustained by a tropical forest, Nature, 452, 737–740, https://doi.org/10.1038/nature06870, 2008.
Leskinen, A., Yli-Pirilä, P., Kuuspalo, K., Sippula, O., Jalava, P., Hirvonen, M.-R., Jokiniemi, J., Virtanen, A., Komppula, M., and Lehtinen, K. E. J.: Characterization and testing of a new environmental chamber, Atmos. Meas. Tech., 8, 2267–2278, https://doi.org/10.5194/amt-8-2267-2015, 2015.
Lindinger, W., Hansel, A., and Jordan, A.: On-line monitoring of volatile organic compounds at pptv levels by means of proton-transfer-reaction mass spectrometry (PTR-MS) medical applications, food control and environmental research, Int. J. Mass Spectrom. Ion Process., 173, 191–241, https://doi.org/10.1016/S0168-1176(97)00281-4, 1998.
Liu, X., Jeffries, H. E., and Sexton, K. G.: Atmospheric Photochemical Degradation of 1,4-Unsaturated Dicarbonyls, Environ. Sci. Technol., 33, 4212–4220, https://doi.org/10.1021/es990469y, 1999.
Lumiaro, E., Todorović, M., Kurten, T., Vehkamäki, H., and Rinke, P.: Predicting gas–particle partitioning coefficients of atmospheric molecules with machine learning, Atmos. Chem. Phys., 21, 13227–13246, https://doi.org/10.5194/acp-21-13227-2021, 2021.
Ma, W., Liu, Y., Zhang, Y., Feng, Z., Zhan, J., Hua, C., Ma, L., Guo, Y., Zhang, Y., Zhou, W., Yan, C., Chu, B., Chen, T., Ma, Q., Liu, C., Kulmala, M., Mu, Y., and He, H.: A New Type of Quartz Smog Chamber: Design and Characterization, Environ. Sci. Technol., 56, 2181–2190, https://doi.org/10.1021/acs.est.1c06341, 2022.
Majer, J. R., Naman, S.-A. M. A., and Robb, J. C.: Photolysis of aromatic aldehydes, Trans. Faraday Soc., 65, 1846–1853, https://doi.org/10.1039/TF9696501846, 1969.
Martos, P. A. and Pawliszyn, J.: Calibration of Solid Phase Microextraction for Air Analyses Based on Physical Chemical Properties of the Coating, Anal. Chem., 69, 206–215, https://doi.org/10.1021/ac960415w, 1997.
Martos, P. A. and Pawliszyn, J.: Sampling and Determination of Formaldehyde Using Solid-Phase Microextraction with On-Fiber Derivatization, Anal. Chem., 70, 2311–2320, https://doi.org/10.1021/ac9711394, 1998.
Matsunaga, A. and Ziemann, P. J.: Gas-Wall Partitioning of Organic Compounds in a Teflon Film Chamber and Potential Effects on Reaction Product and Aerosol Yield Measurements, Aerosol Sci. Technol., 44, 881–892, https://doi.org/10.1080/02786826.2010.501044, 2010.
McMurry, P. H. and Grosjean, D.: Gas and aerosol wall losses in Teflon film smog chambers, Environ. Sci. Technol., 19, 1176–1182, https://doi.org/10.1021/es00142a006, 1985.
Michoud, V., Sauvage, S., Léonardis, T., Fronval, I., Kukui, A., Locoge, N., and Dusanter, S.: Field measurements of methylglyoxal using proton transfer reaction time-of-flight mass spectrometry and comparison to the DNPH–HPLC–UV method, Atmos. Meas. Tech., 11, 5729–5740, https://doi.org/10.5194/amt-11-5729-2018, 2018.
Moschonas, N., Danalatos, D., and Glavas, S.: The effect of O2 and NO2 on the ring retaining products of the reaction of toluene with hydroxyl radicals, Atmos. Environ., 33, 111–116, https://doi.org/10.1016/S1352-2310(98)00134-4, 1998.
Müller, M., Graus, M., Wisthaler, A., Hansel, A., Metzger, A., Dommen, J., and Baltensperger, U.: Analysis of high mass resolution PTR-TOF mass spectra from 1,3,5-trimethylbenzene (TMB) environmental chamber experiments, Atmos. Chem. Phys., 12, 829–843, https://doi.org/10.5194/acp-12-829-2012, 2012.
Munday, E. B., Mullins, J. C., and Edie, D. D.: Vapor pressure data for toluene, 1-pentanol, 1-butanol, water, and 1-propanol and for the water and 1-propanol system from 273.15 to 323.15 K, J. Chem. Eng. Data, 25, 191–194, https://doi.org/10.1021/je60086a006, 1980.
Muñoz, A., Borrás, E., Ródenas, M., Vera, T., and Pedersen, H. A.: Atmospheric Oxidation of a Thiocarbamate Herbicide Used in Winter Cereals, Environ. Sci. Technol., 52, 9136–9144, https://doi.org/10.1021/acs.est.8b02157, 2018.
NCAR: Tropospheric Ultraviolet and Visible (TUV) Radiation Model, v5.3, National Center for Atmospheric Research (NCAR), web version of model, https://www.acom.ucar.edu/Models/TUV/Interactive_TUV/ (last access: 5 February 2024), 2024.
Newland, M. J., Jenkin, M. E., and Rickard, A. R.: Elucidating the fate of the OH-adduct in toluene oxidation under tropospheric boundary layer conditions, P. Natl. Acad. Sci. USA, 114, E7856–E7857, https://doi.org/10.1073/pnas.1713678114, 2017.
Newland, M. J., Rea, G. J., Thüner, L. P., Henderson, A. P., Golding, B. T., Rickard, A. R., Barnes, I., and Wenger, J.: Photochemistry of 2-butenedial and 4-oxo-2-pentenal under atmospheric boundary layer conditions, Phys. Chem. Chem. Phys., 21, 1160–1171, https://doi.org/10.1039/C8CP06437G, 2019.
Olariu, R. I., Klotz, B., Barnes, I., Becker, K. H., and Mocanu, R.: FT–IR study of the ring-retaining products from the reaction of OH radicals with phenol, o-, m-, and p-cresol, Atmos. Environ., 36, 3685–3697, https://doi.org/10.1016/S1352-2310(02)00202-9, 2002.
Pindado Jiménez, O., Pérez Pastor, R. M., Vivanco, M. G., and Santiago Aladro, M.: A chromatographic method to analyze products from photo-oxidation of anthropogenic and biogenic mixtures of volatile organic compounds in smog chambers, Talanta, 106, 20–28, https://doi.org/10.1016/j.talanta.2012.11.081, 2013.
Rissanen, M.: Anthropogenic Volatile Organic Compound (AVOC) Autoxidation as a Source of Highly Oxygenated Organic Molecules (HOM), J. Phys. Chem. A, 125, 9027–9039, https://doi.org/10.1021/acs.jpca.1c06465, 2021.
Rivera-Rios, J. C., Nguyen, T. B., Crounse, J. D., Jud, W., St. Clair, J. M., Mikoviny, T., Gilman, J. B., Lerner, B. M., Kaiser, J. B., de Gouw, J., Wisthaler, A., Hansel, A., Wennberg, P. O., Seinfeld, J. H., and Keutsch, F. N.: Conversion of hydroperoxides to carbonyls in field and laboratory instrumentation: Observational bias in diagnosing pristine versus anthropogenically controlled atmospheric chemistry, Geophys. Res. Lett., 41, 8645–8651, https://doi.org/10.1002/2014GL061919, 2014.
Rohrer, F., Bohn, B., Brauers, T., Brüning, D., Johnen, F.-J., Wahner, A., and Kleffmann, J.: Characterisation of the photolytic HONO-source in the atmosphere simulation chamber SAPHIR, Atmos. Chem. Phys., 5, 2189–2201, https://doi.org/10.5194/acp-5-2189-2005, 2005.
Romano, A. and Hanna, G. B.: Identification and quantification of VOCs by proton transfer reaction time of flight mass spectrometry: An experimental workflow for the optimization of specificity, sensitivity, and accuracy, J. Mass Spectrom., 53, 287–295, https://doi.org/10.1002/jms.4063, 2018.
Salazar Gómez, J. I., Sojka, M., Klucken, C., Schlögl, R., and Ruland, H.: Determination of trace compounds and artifacts in nitrogen background measurements by proton transfer reaction time-of-flight mass spectrometry under dry and humid conditions, J. Mass Spectrom., 56, e4777, https://doi.org/10.1002/jms.4777, 2021.
Saunders, S. M., Jenkin, M. E., Derwent, R. G., and Pilling, M. J.: Protocol for the development of the Master Chemical Mechanism, MCM v3 (Part A): tropospheric degradation of non-aromatic volatile organic compounds, Atmos. Chem. Phys., 3, 161–180, https://doi.org/10.5194/acp-3-161-2003, 2003.
Schmarr, H.-G., Sang, W., Ganss, S., Fischer, U., Köpp, B., Schulz, C., and Potouridis, T.: Analysis of aldehydes via headspace SPME with on-fiber derivatization to their O-(2,3,4,5,6-pentafluorobenzyl)oxime derivatives and comprehensive 2D-GC-MS, J. Sep. Sci., 31, 3458–3465, https://doi.org/10.1002/jssc.200800294, 2008.
Schwantes, R. H., Schilling, K. A., McVay, R. C., Lignell, H., Coggon, M. M., Zhang, X., Wennberg, P. O., and Seinfeld, J. H.: Formation of highly oxygenated low-volatility products from cresol oxidation, Atmos. Chem. Phys., 17, 3453–3474, https://doi.org/10.5194/acp-17-3453-2017, 2017.
Seuwen, R. and Warneck, P.: Oxidation of toluene in NOx free air: Product distribution and mechanism, Int. J. Chem. Kinet., 28, 315–332, https://doi.org/10.1002/(SICI)1097-4601(1996)28:5<315::AID-KIN1>3.0.CO;2-Y, 1996.
Shaw, J. T., Lidster, R. T., Cryer, D. R., Ramirez, N., Whiting, F. C., Boustead, G. A., Whalley, L. K., Ingham, T., Rickard, A. R., Dunmore, R. E., Heard, D. E., Lewis, A. C., Carpenter, L. J., Hamilton, J. F., and Dillon, T. J.: A self-consistent, multivariate method for the determination of gas-phase rate coefficients, applied to reactions of atmospheric VOCs and the hydroxyl radical, Atmos. Chem. Phys., 18, 4039–4054, https://doi.org/10.5194/acp-18-4039-2018, 2018.
Siekmann, F.: Freisetzung von photolabilen und reaktiven Halogenverbindungen aus salzhaltigen Aerosolen unter simulierten troposphärischen Reinluftbedingungen in einer Aerosol-Smogkammer, Doctoral thesis, University of Bayreuth, Bayreuth, 139 pp., URN urn:nbn:de:bvb:703-opus-4917, 2018.
Smith, D. F., McIver, C. D., and Kleindienst, T. E.: Primary Product Distribution from the Reaction of Hydroxyl Radicals with Toluene at ppb NOx Mixing Ratios, J. Atmos. Chem., 30, 209–228, https://doi.org/10.1023/A:1005980301720, 1998.
Stönner, C., Derstroff, B., Klüpfel, T., Crowley, J. N., and Williams, J.: Glyoxal measurement with a proton transfer reaction time of flight mass spectrometer (PTR-TOF-MS): characterization and calibration, J. Mass Spectrom., 52, 30–35, https://doi.org/10.1002/jms.3893, 2017.
Tumbiolo, S., Gal, J.-F., Maria, P.-C., and Zerbinati, O.: Determination of benzene, toluene, ethylbenzene and xylenes in air by solid phase micro-extraction/gas chromatography/mass spectrometry, Anal. Bioanal. Chem., 380, 824–830, https://doi.org/10.1007/s00216-004-2837-1, 2004.
Vaghjiani, G. L. and Ravishankara, A. R.: Photodissociation of H2O2 and CH3OOH at 248 nm and 298 K: Quantum yields for OH, O(3P) and H(2S), J. Chem. Phys., 92, 996–1003, https://doi.org/10.1063/1.458081, 1990.
Vasquez, K. T., Allen, H. M., Crounse, J. D., Praske, E., Xu, L., Noelscher, A. C., and Wennberg, P. O.: Low-pressure gas chromatography with chemical ionization mass spectrometry for quantification of multifunctional organic compounds in the atmosphere, Atmos. Meas. Tech., 11, 6815–6832, https://doi.org/10.5194/amt-11-6815-2018, 2018.
Volkamer, R., Platt, U., and Wirtz, K.: Primary and Secondary Glyoxal Formation from Aromatics: Experimental Evidence for the Bicycloalkyl-Radical Pathway from Benzene, Toluene, and p-Xylene, J. Phys. Chem. A, 105, 7865–7874, https://doi.org/10.1021/jp010152w, 2001.
von Schneidemesser, E., Monks, P. S., Allan, J. D., Bruhwiler, L., Forster, P., Fowler, D., Lauer, A., Morgan, W. T., Paasonen, P., Righi, M., Sindelarova, K., and Sutton, M. A.: Chemistry and the Linkages between Air Quality and Climate Change, Chem. Rev., 115, 3856–3897, https://doi.org/10.1021/acs.chemrev.5b00089, 2015.
Wagner, V., Jenkin, M. E., Saunders, S. M., Stanton, J., Wirtz, K., and Pilling, M. J.: Modelling of the photooxidation of toluene: conceptual ideas for validating detailed mechanisms, Atmos. Chem. Phys., 3, 89–106, https://doi.org/10.5194/acp-3-89-2003, 2003.
White, S. J., Jamie, I. M., and Angove, D. E.: Chemical characterisation of semi-volatile and aerosol compounds from the photooxidation of toluene and NOx, Atmos. Environ., 83, 237–244, https://doi.org/10.1016/j.atmosenv.2013.11.023, 2014.
Williams, J., Keßel, S. U., Nölscher, A. C., Yang, Y., Lee, Y., Yáñez-Serrano, A. M., Wolff, S., Kesselmeier, J., Klüpfel, T., Lelieveld, J., and Shao, M.: Opposite OH reactivity and ozone cycles in the Amazon rainforest and megacity Beijing: Subversion of biospheric oxidant control by anthropogenic emissions, Atmos. Environ., 125, 112–118, https://doi.org/10.1016/j.atmosenv.2015.11.007, 2016.
Wittmer, J., Bleicher, S., and Zetzsch, C.: Iron(III)-Induced Activation of Chloride and Bromide from Modeled Salt Pans, J. Phys. Chem. A, 119, 4373–4385, https://doi.org/10.1021/jp508006s, 2015.
Wróblewski, T., Ziemczonek, L., Alhasan, A. M., and Karwasz, G. P.: Ab initio and density functional theory calculations of proton affinities for volatile organic compounds, Eur. Phys. J. Spec. Top., 144, 191–195, https://doi.org/10.1140/epjst/e2007-00126-7, 2007.
Wu, R., Pan, S., Li, Y., and Wang, L.: Atmospheric Oxidation Mechanism of Toluene, J. Phys. Chem. A, 118, 4533–4547, https://doi.org/10.1021/jp500077f, 2014.
Ye, P., Ding, X., Hakala, J., Hofbauer, V., Robinson, E. S., and Donahue, N. M.: Vapor wall loss of semi-volatile organic compounds in a Teflon chamber, Aerosol Sci. Tech., 50, 822–834, https://doi.org/10.1080/02786826.2016.1195905, 2016.
Yeh, G. K. and Ziemann, P. J.: Gas-Wall Partitioning of Oxygenated Organic Compounds: Measurements, Structure–Activity Relationships, and Correlation with Gas Chromatographic Retention Factor, Aerosol Sci. Tech., 49, 727–738, https://doi.org/10.1080/02786826.2015.1068427, 2015.
Yeoman, A. M., Shaw, M., and Lewis, A. C.: Estimating person-to-person variability in VOC emissions from personal care products used during showering, Indoor Air, 31, 1281–1291, https://doi.org/10.1111/ina.12811, 2021.
Yu, J., Flagan, R. C., and Seinfeld, J. H.: Identification of Products Containing -COOH, -OH, and -CO in Atmospheric Oxidation of Hydrocarbons, Environ. Sci. Technol., 32, 2357–2370, https://doi.org/10.1021/es980129x, 1998.
Zádor, J., Turányi, T., Wirtz, K., and Pilling, M. J.: Measurement and investigation of chamber radical sources in the European Photoreactor (EUPHORE), J. Atmos. Chem., 55, 147–166, https://doi.org/10.1007/s10874-006-9033-y, 2006.
Zaytsev, A., Koss, A. R., Breitenlechner, M., Krechmer, J. E., Nihill, K. J., Lim, C. Y., Rowe, J. C., Cox, J. L., Moss, J., Roscioli, J. R., Canagaratna, M. R., Worsnop, D. R., Kroll, J. H., and Keutsch, F. N.: Mechanistic study of the formation of ring-retaining and ring-opening products from the oxidation of aromatic compounds under urban atmospheric conditions, Atmos. Chem. Phys., 19, 15117–15129, https://doi.org/10.5194/acp-19-15117-2019, 2019.
Zhang, R. M., Truhlar, D. G., and Xu, X.: Kinetics of the Toluene Reaction with OH Radical, Research, 2019, 5373785, https://doi.org/10.34133/2019/5373785, 2019.
Zhang, X., Schwantes, R. H., McVay, R. C., Lignell, H., Coggon, M. M., Flagan, R. C., and Seinfeld, J. H.: Vapor wall deposition in Teflon chambers, Atmos. Chem. Phys., 15, 4197–4214, https://doi.org/10.5194/acp-15-4197-2015, 2015.
Zhao, Y., Li, Y., Kumar, A., Ying, Q., Vandenberghe, F., and Kleeman, M. J.: Separately resolving NOx and VOC contributions to ozone formation, Atmos. Environ., 285, 119224, https://doi.org/10.1016/j.atmosenv.2022.119224, 2022.
Short summary
We constructed and characterized a new indoor Teflon atmospheric simulation chamber. We evaluated wall losses, photolysis rates, and secondary reactions of multifunctional photooxidation products in the chamber. To measure these products on-line, we combined chromatographic and mass spectrometric analyses to obtain both isomeric information and a high temporal resolution. For method validation, we studied the formation yields of the main ring-retaining products of toluene.
We constructed and characterized a new indoor Teflon atmospheric simulation chamber. We...
