Articles | Volume 15, issue 14
https://doi.org/10.5194/amt-15-4385-2022
© Author(s) 2022. 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-15-4385-2022
© Author(s) 2022. This work is distributed under
the Creative Commons Attribution 4.0 License.
the Creative Commons Attribution 4.0 License.
Research article
| 
29 Jul 2022
Research article |
| 29 Jul 2022
| 29 Jul 2022
Combined application of online FIGAERO-CIMS and offline LC-Orbitrap mass spectrometry (MS) to characterize the chemical composition of secondary organic aerosol (SOA) in smog chamber studies
Centre for atmospheric science, Department of Earth and Environmental Science, School of Natural Sciences, The University of Manchester, Oxford Road, Manchester, M13 9PL, UK
Aristeidis Voliotis
Centre for atmospheric science, Department of Earth and Environmental Science, School of Natural Sciences, The University of Manchester, Oxford Road, Manchester, M13 9PL, UK
Yunqi Shao
Centre for atmospheric science, Department of Earth and Environmental Science, School of Natural Sciences, The University of Manchester, Oxford Road, Manchester, M13 9PL, UK
Centre for atmospheric science, Department of Earth and Environmental Science, School of Natural Sciences, The University of Manchester, Oxford Road, Manchester, M13 9PL, UK
Thomas J. Bannan
Centre for atmospheric science, Department of Earth and Environmental Science, School of Natural Sciences, The University of Manchester, Oxford Road, Manchester, M13 9PL, UK
Kelly L. Pereira
Wolfson Atmospheric Chemistry Laboratories, Department of Chemistry, University of York, York, YO10 5DD, UK
now at: Department of Life and Environmental Sciences, Bournemouth University, Dorest, BH12 5BB, UK
Jacqueline F. Hamilton
Wolfson Atmospheric Chemistry Laboratories, Department of Chemistry, University of York, York, YO10 5DD, UK
Carl J. Percival
NASA Jet Propulsion Laboratory, California Institute of Technology, 4800 Oak Grove Drive, Pasadena, CA 91109, USA
M. Rami Alfarra
Centre for atmospheric science, Department of Earth and Environmental Science, School of Natural Sciences, The University of Manchester, Oxford Road, Manchester, M13 9PL, UK
National Centre for Atmospheric Science, Department of Earth and Environmental Science, School of Natural Sciences, The University of Manchester, Oxford Road, Manchester, M13 9PL, UK
now at: Environment & Sustainability Center, Qatar Environment & Energy Research Institute, 34110, Doha, Qatar
Gordon McFiggans
CORRESPONDING AUTHOR
Centre for atmospheric science, Department of Earth and Environmental Science, School of Natural Sciences, The University of Manchester, Oxford Road, Manchester, M13 9PL, UK
Related authors
Yunqi Shao, Aristeidis Voliotis, Mao Du, Yu Wang, Jacqueline Hamilton, M. Rami Alfarra, and Gordon McFiggans
Aerosol Research Discuss., https://doi.org/10.5194/ar-2025-22, https://doi.org/10.5194/ar-2025-22, 2025
Preprint under review for AR
Short summary
Short summary
This study analysed the average carbon oxidation state (OSc) during secondary organic aerosol formation from mixed volatile organic compounds (VOCs) using three mass spectrometry techniques. Notable discrepancies in OSc were observed across the techniques, with FIGAERO-CIMS keep reporting higher values. The results also shown that OSc in mixed VOC systems is influenced not only by products from individual precursors but also by unique compounds formed through interactions between VOC products.
Aristeidis Voliotis, Mao Du, Yu Wang, Yunqi Shao, M. Rami Alfarra, Thomas J. Bannan, Dawei Hu, Kelly L. Pereira, Jaqueline F. Hamilton, Mattias Hallquist, Thomas F. Mentel, and Gordon McFiggans
Atmos. Chem. Phys., 22, 14147–14175, https://doi.org/10.5194/acp-22-14147-2022, https://doi.org/10.5194/acp-22-14147-2022, 2022
Short summary
Short summary
Mixing experiments are crucial and highly beneficial for our understanding of atmospheric chemical interactions. However, interpretation quickly becomes complex, and both the experimental design and evaluation need to be scrutinised carefully. Advanced online and offline compositional measurements can reveal substantial additional information to aid in the interpretation of yield data, including components uniquely found in mixtures and property changes in SOA formed from mixtures of VOCs.
Aristeidis Voliotis, Mao Du, Yu Wang, Yunqi Shao, Thomas J. Bannan, Michael Flynn, Spyros N. Pandis, Carl J. Percival, M. Rami Alfarra, and Gordon McFiggans
Atmos. Chem. Phys., 22, 13677–13693, https://doi.org/10.5194/acp-22-13677-2022, https://doi.org/10.5194/acp-22-13677-2022, 2022
Short summary
Short summary
The addition of a low-yield precursor to the reactive mixture of aVOC and bVOC can increase or decrease the SOA volatility that is system-dependent. Therefore, the SOA volatility of the mixtures cannot always be predicted based on the additivity. In complex mixtures the formation of lower-volatility products likely outweighs the formation of products with higher volatility. The unique products of each mixture contribute significantly to the signal, suggesting interactions can be important.
Yunqi Shao, Aristeidis Voliotis, Mao Du, Yu Wang, Kelly Pereira, Jacqueline Hamilton, M. Rami Alfarra, and Gordon McFiggans
Atmos. Chem. Phys., 22, 9799–9826, https://doi.org/10.5194/acp-22-9799-2022, https://doi.org/10.5194/acp-22-9799-2022, 2022
Short summary
Short summary
This study explored the chemical properties of secondary organic aerosol (SOA) that formed from photo-oxidation of single and mixed biogenic and anthropogenic precursors. We showed that SOA chemical properties in a mixed vapour system are mainly affected by the
higher-yield precursor's oxidation products and products from
cross-product formation. This study also identifies potential tracer compounds in a mixed vapour system that might be used in SOA source attribution in future ambient studies.
Yu Wang, Aristeidis Voliotis, Dawei Hu, Yunqi Shao, Mao Du, Ying Chen, Judith Kleinheins, Claudia Marcolli, M. Rami Alfarra, and Gordon McFiggans
Atmos. Chem. Phys., 22, 4149–4166, https://doi.org/10.5194/acp-22-4149-2022, https://doi.org/10.5194/acp-22-4149-2022, 2022
Short summary
Short summary
Aerosol water uptake plays a key role in atmospheric physicochemical processes. We designed chamber experiments on aerosol water uptake of secondary organic aerosol (SOA) from mixed biogenic and anthropogenic precursors with inorganic seed. Our results highlight this chemical composition influences the reconciliation of the sub- and super-saturated water uptake, providing laboratory evidence for understanding the chemical controls of water uptake of the multi-component aerosol.
Yunqi Shao, Yu Wang, Mao Du, Aristeidis Voliotis, M. Rami Alfarra, Simon P. O'Meara, S. Fiona Turner, and Gordon McFiggans
Atmos. Meas. Tech., 15, 539–559, https://doi.org/10.5194/amt-15-539-2022, https://doi.org/10.5194/amt-15-539-2022, 2022
Short summary
Short summary
A comprehensive description and characterisation of the Manchester Aerosol Chamber (MAC) was conducted. The MAC has good temperature and relative humidity homogeneity, fast mixing times, and comparable losses of gases and particles with other chambers. The MAC's bespoke control system allows improved duty cycles and repeatable experiments. Moreover, the effect of contamination on performance was also investigated. It is highly recommended to regularly track the chamber's performance.
Dawei Hu, M. Rami Alfarra, Kate Szpek, Justin M. Langridge, Michael I. Cotterell, Claire Belcher, Ian Rule, Zixia Liu, Chenjie Yu, Yunqi Shao, Aristeidis Voliotis, Mao Du, Brett Smith, Greg Smallwood, Prem Lobo, Dantong Liu, Jim M. Haywood, Hugh Coe, and James D. Allan
Atmos. Chem. Phys., 21, 16161–16182, https://doi.org/10.5194/acp-21-16161-2021, https://doi.org/10.5194/acp-21-16161-2021, 2021
Short summary
Short summary
Here, we developed new techniques for investigating these properties in the laboratory and applied these to BC and BrC from different sources, including diesel exhaust, inverted propane flame and wood combustion. These have allowed us to quantify the changes in shape and chemical composition of different soots according to source and variables such as the moisture content of wood.
Aristeidis Voliotis, Yu Wang, Yunqi Shao, Mao Du, Thomas J. Bannan, Carl J. Percival, Spyros N. Pandis, M. Rami Alfarra, and Gordon McFiggans
Atmos. Chem. Phys., 21, 14251–14273, https://doi.org/10.5194/acp-21-14251-2021, https://doi.org/10.5194/acp-21-14251-2021, 2021
Short summary
Short summary
Secondary organic aerosol (SOA) formation from mixtures of volatile precursors can be affected by the molecular interactions of the products. Composition and volatility measurements of SOA formed from mixtures of anthropogenic and biogenic precursors reveal processes that can increase or decrease the SOA volatility. The unique products of the mixture were more oxygenated and less volatile than those from either precursor. Analytical context is provided to explore the SOA volatility in mixtures.
Yu Wang, Aristeidis Voliotis, Yunqi Shao, Taomou Zong, Xiangxinyue Meng, Mao Du, Dawei Hu, Ying Chen, Zhijun Wu, M. Rami Alfarra, and Gordon McFiggans
Atmos. Chem. Phys., 21, 11303–11316, https://doi.org/10.5194/acp-21-11303-2021, https://doi.org/10.5194/acp-21-11303-2021, 2021
Short summary
Short summary
Aerosol phase behaviour plays a profound role in atmospheric physicochemical processes. We designed dedicated chamber experiments to study the phase state of secondary organic aerosol from biogenic and anthropogenic mixed precursors. Our results highlight the key role of the organic–inorganic ratio and relative humidity in phase state, but the sources and organic composition are less important. The result provides solid laboratory evidence for understanding aerosol phase in a complex atmosphere.
John W. Halfacre, Lewis Marden, Marvin D. Shaw, Lucy J. Carpenter, Emily Matthews, Thomas J. Bannan, Hugh Coe, Scott C. Herndon, Joseph R. Roscioli, Christoph Dyroff, Tara I. Yacovitch, Patrick R. Veres, Michael A. Robinson, Steven S. Brown, and Pete M. Edwards
Atmos. Meas. Tech., 18, 3799–3818, https://doi.org/10.5194/amt-18-3799-2025, https://doi.org/10.5194/amt-18-3799-2025, 2025
Short summary
Short summary
Nitryl chloride (ClNO2) is a reservoir of chlorine atoms and nitrogen oxides, both of which play important roles in atmospheric chemistry. However, all ambient ClNO2 observations so far have been made by a single technique, mass spectrometry, which needs complex calibrations. Here, we present a laser-based method that detects ClNO2 (TD-TILDAS – thermal dissociation–tunable infrared laser direct absorption spectrometry) without the need for complicated calibrations. The results show excellent agreement between these two methods from both laboratory and ambient samples.
Loren Temple, Stuart Young, Thomas Bannan, Stephanie Batten, Stéphane Bauguitte, Hugh Coe, Eve Grant, Stuart Lacy, James Lee, Emily Matthews, Dominika Pasternak, Samuel Rogers, Andrew Rollins, Jake Vallow, Mingxi Yang, and Pete Edwards
EGUsphere, https://doi.org/10.5194/egusphere-2025-3678, https://doi.org/10.5194/egusphere-2025-3678, 2025
This preprint is open for discussion and under review for Atmospheric Measurement Techniques (AMT).
Short summary
Short summary
Sulfur dioxide (SO2) is a key precursor to aerosol formation, particularly in remote marine environments, ultimately affecting cloud properties and climate. Accurate quantification of atmospheric SO2 is therefore crucial. This work compares a custom-built laser-based instrument to two commercial SO2 analysers during measurements from a large research aircraft. Our results show that this custom-built system offers greater sensitivity at time resolutions required for aircraft measurements.
Yunqi Shao, Aristeidis Voliotis, Mao Du, Yu Wang, Jacqueline Hamilton, M. Rami Alfarra, and Gordon McFiggans
Aerosol Research Discuss., https://doi.org/10.5194/ar-2025-22, https://doi.org/10.5194/ar-2025-22, 2025
Preprint under review for AR
Short summary
Short summary
This study analysed the average carbon oxidation state (OSc) during secondary organic aerosol formation from mixed volatile organic compounds (VOCs) using three mass spectrometry techniques. Notable discrepancies in OSc were observed across the techniques, with FIGAERO-CIMS keep reporting higher values. The results also shown that OSc in mixed VOC systems is influenced not only by products from individual precursors but also by unique compounds formed through interactions between VOC products.
Lukas Pichelstorfer, Simon P. O'Meara, and Gordon McFiggans
Aerosol Research, 3, 417–428, https://doi.org/10.5194/ar-3-417-2025, https://doi.org/10.5194/ar-3-417-2025, 2025
Short summary
Short summary
Quantification of autoxidation chemistry is a complex task essential to our understanding of atmospheric secondary aerosol formation and its impact on climate. In this work, we introduce the autoCONSTRAINT module, a semi-empirical method for deducing reaction rate coefficients for lumped autoxidation chemistry schemes based on experimental data. The theoretical approach is analytical and provides mathematically correct though non-unique solutions with low computational cost.
Olivia M. Jackson, Aristeidis Voliotis, Thomas J. Bannan, Simon P. O'Meara, Gordon McFiggans, Dave Johnson, and Hugh Coe
Atmos. Chem. Phys., 25, 6257–6272, https://doi.org/10.5194/acp-25-6257-2025, https://doi.org/10.5194/acp-25-6257-2025, 2025
Short summary
Short summary
This paper details a novel method of measuring the volatility of pesticides using the Filter Inlet for Gases and AEROsols coupled with a chemical ionisation mass spectrometer (FIGAERO-CIMS) calibrated using a set of poly(ethylene) glycols. This is compared to literature values and common models. The results show that the method used primarily matches current literature values. Additionally, a pesticide’s volatility as an indicator of the likelihood of atmospheric transport occurring is explored.
Rhianna L. Evans, Daniel J. Bryant, Aristeidis Voliotis, Dawei Hu, Huihui Wu, Sara Aisyah Syafira, Osayomwanbor E. Oghama, Gordon McFiggans, Jacqueline F. Hamilton, and Andrew R. Rickard
Atmos. Chem. Phys., 25, 4367–4389, https://doi.org/10.5194/acp-25-4367-2025, https://doi.org/10.5194/acp-25-4367-2025, 2025
Short summary
Short summary
The chemical composition of organic aerosol derived from wood-burning emissions under different burning conditions was characterised. Fresh emissions from flaming and smouldering were largely aromatic in nature, whereas upon aging the aromatic content decreased. This decrease was greater for smouldering due to the loss of toxic polyaromatic species, whereas under flaming conditions highly toxic polyaromatic species were produced. These differences present an important challenge for future policy.
Sneha Aggarwal, Priyanka Bansal, Yuwei Wang, Spiro Jorga, Gabrielle Macgregor, Urs Rohner, Thomas Bannan, Matthew Salter, Paul Zieger, Claudia Mohr, and Felipe Lopez-Hilfiker
EGUsphere, https://doi.org/10.5194/egusphere-2025-696, https://doi.org/10.5194/egusphere-2025-696, 2025
Short summary
Short summary
Chemical ionization mass spectrometers used for trace gas analysis can be operated at various conditions, complicating quantitative comparisons. We evaluate sensitivity dependence on relatively few key instrument parameters and show that when these are held constant, consistent performance is achieved. We show that the maximum sensitivity of a given flow tube reactor across various reagent ion chemistries is a constant, which aids in the quantification of compounds lacking analytical standards.
Alex T. Archibald, Bablu Sinha, Maria R. Russo, Emily Matthews, Freya A. Squires, N. Luke Abraham, Stephane J.-B. Bauguitte, Thomas J. Bannan, Thomas G. Bell, David Berry, Lucy J. Carpenter, Hugh Coe, Andrew Coward, Peter Edwards, Daniel Feltham, Dwayne Heard, Jim Hopkins, James Keeble, Elizabeth C. Kent, Brian A. King, Isobel R. Lawrence, James Lee, Claire R. Macintosh, Alex Megann, Bengamin I. Moat, Katie Read, Chris Reed, Malcolm J. Roberts, Reinhard Schiemann, David Schroeder, Timothy J. Smyth, Loren Temple, Navaneeth Thamban, Lisa Whalley, Simon Williams, Huihui Wu, and Mingxi Yang
Earth Syst. Sci. Data, 17, 135–164, https://doi.org/10.5194/essd-17-135-2025, https://doi.org/10.5194/essd-17-135-2025, 2025
Short summary
Short summary
Here, we present an overview of the data generated as part of the North Atlantic Climate System Integrated Study (ACSIS) programme that are available through dedicated repositories at the Centre for Environmental Data Analysis (CEDA; www.ceda.ac.uk) and the British Oceanographic Data Centre (BODC; bodc.ac.uk). The datasets described here cover the North Atlantic Ocean, the atmosphere above (it including its composition), and Arctic sea ice.
Beth S. Nelson, Zhenze Liu, Freya A. Squires, Marvin Shaw, James R. Hopkins, Jacqueline F. Hamilton, Andrew R. Rickard, Alastair C. Lewis, Zongbo Shi, and James D. Lee
Atmos. Chem. Phys., 24, 9031–9044, https://doi.org/10.5194/acp-24-9031-2024, https://doi.org/10.5194/acp-24-9031-2024, 2024
Short summary
Short summary
The impact of combined air quality and carbon neutrality policies on O3 formation in Beijing was investigated. Emissions inventory data were used to estimate future pollutant mixing ratios relative to ground-level observations. O3 production was found to be most sensitive to changes in alkenes, but large reductions in less reactive compounds led to larger reductions in future O3 production. This study highlights the importance of understanding the emissions of organic pollutants.
Sebastian Diez, Stuart Lacy, Hugh Coe, Josefina Urquiza, Max Priestman, Michael Flynn, Nicholas Marsden, Nicholas A. Martin, Stefan Gillott, Thomas Bannan, and Pete M. Edwards
Atmos. Meas. Tech., 17, 3809–3827, https://doi.org/10.5194/amt-17-3809-2024, https://doi.org/10.5194/amt-17-3809-2024, 2024
Short summary
Short summary
In this paper we present an overview of the QUANT project, which to our knowledge is one of the largest evaluations of commercial sensors to date. The objective was to evaluate the performance of a range of commercial products and also to nourish the different applications in which these technologies can offer relevant information.
Yarê Baker, Sungah Kang, Hui Wang, Rongrong Wu, Jian Xu, Annika Zanders, Quanfu He, Thorsten Hohaus, Till Ziehm, Veronica Geretti, Thomas J. Bannan, Simon P. O'Meara, Aristeidis Voliotis, Mattias Hallquist, Gordon McFiggans, Sören R. Zorn, Andreas Wahner, and Thomas F. Mentel
Atmos. Chem. Phys., 24, 4789–4807, https://doi.org/10.5194/acp-24-4789-2024, https://doi.org/10.5194/acp-24-4789-2024, 2024
Short summary
Short summary
Highly oxygenated organic molecules are important contributors to secondary organic aerosol. Their yield depends on detailed atmospheric chemical composition. One important parameter is the ratio of hydroperoxy radicals to organic peroxy radicals (HO2/RO2), and we show that higher HO2/RO2 ratios lower the secondary organic aerosol yield. This is of importance as laboratory studies are often biased towards organic peroxy radicals.
Alfred W. Mayhew, Peter M. Edwards, and Jaqueline F. Hamilton
Atmos. Chem. Phys., 23, 8473–8485, https://doi.org/10.5194/acp-23-8473-2023, https://doi.org/10.5194/acp-23-8473-2023, 2023
Short summary
Short summary
Isoprene nitrates are chemical species commonly found in the atmosphere that are important for their impacts on air quality and climate. This paper investigates modelled changes to daytime isoprene nitrate concentrations resulting from changes in NOx and O3. The results highlight the complex, nonlinear chemistry of this group of species under typical conditions for megacities such as Beijing, with many species showing increased concentrations when NOx is decreased and/or ozone is increased.
Ernesto Reyes-Villegas, Douglas Lowe, Jill S. Johnson, Kenneth S. Carslaw, Eoghan Darbyshire, Michael Flynn, James D. Allan, Hugh Coe, Ying Chen, Oliver Wild, Scott Archer-Nicholls, Alex Archibald, Siddhartha Singh, Manish Shrivastava, Rahul A. Zaveri, Vikas Singh, Gufran Beig, Ranjeet Sokhi, and Gordon McFiggans
Atmos. Chem. Phys., 23, 5763–5782, https://doi.org/10.5194/acp-23-5763-2023, https://doi.org/10.5194/acp-23-5763-2023, 2023
Short summary
Short summary
Organic aerosols (OAs), their sources and their processes remain poorly understood. The volatility basis set (VBS) approach, implemented in air quality models such as WRF-Chem, can be a useful tool to describe primary OA (POA) production and aging. However, the main disadvantage is its complexity. We used a Gaussian process simulator to reproduce model results and to estimate the sources of model uncertainty. We do this by comparing the outputs with OA observations made at Delhi, India, in 2018.
Joanna E. Dyson, Lisa K. Whalley, Eloise J. Slater, Robert Woodward-Massey, Chunxiang Ye, James D. Lee, Freya Squires, James R. Hopkins, Rachel E. Dunmore, Marvin Shaw, Jacqueline F. Hamilton, Alastair C. Lewis, Stephen D. Worrall, Asan Bacak, Archit Mehra, Thomas J. Bannan, Hugh Coe, Carl J. Percival, Bin Ouyang, C. Nicholas Hewitt, Roderic L. Jones, Leigh R. Crilley, Louisa J. Kramer, W. Joe F. Acton, William J. Bloss, Supattarachai Saksakulkrai, Jingsha Xu, Zongbo Shi, Roy M. Harrison, Simone Kotthaus, Sue Grimmond, Yele Sun, Weiqi Xu, Siyao Yue, Lianfang Wei, Pingqing Fu, Xinming Wang, Stephen R. Arnold, and Dwayne E. Heard
Atmos. Chem. Phys., 23, 5679–5697, https://doi.org/10.5194/acp-23-5679-2023, https://doi.org/10.5194/acp-23-5679-2023, 2023
Short summary
Short summary
The hydroxyl (OH) and closely coupled hydroperoxyl (HO2) radicals are vital for their role in the removal of atmospheric pollutants. In less polluted regions, atmospheric models over-predict HO2 concentrations. In this modelling study, the impact of heterogeneous uptake of HO2 onto aerosol surfaces on radical concentrations and the ozone production regime in Beijing in the summertime is investigated, and the implications for emissions policies across China are considered.
Daniel J. Bryant, Beth S. Nelson, Stefan J. Swift, Sri Hapsari Budisulistiorini, Will S. Drysdale, Adam R. Vaughan, Mike J. Newland, James R. Hopkins, James M. Cash, Ben Langford, Eiko Nemitz, W. Joe F. Acton, C. Nicholas Hewitt, Tuhin Mandal, Bhola R. Gurjar, Shivani, Ranu Gadi, James D. Lee, Andrew R. Rickard, and Jacqueline F. Hamilton
Atmos. Chem. Phys., 23, 61–83, https://doi.org/10.5194/acp-23-61-2023, https://doi.org/10.5194/acp-23-61-2023, 2023
Short summary
Short summary
This paper investigates the sources of isoprene and monoterpene compounds and their particulate-phase oxidation products in Delhi, India. This was done to improve our understanding of the sources, concentrations, and fate of volatile emissions in megacities. By studying the chemical composition of offline filter samples, we report that a significant share of the oxidised organic aerosol in Delhi is from isoprene and monoterpenes. This has implications for human health and policy development.
Alfred W. Mayhew, Ben H. Lee, Joel A. Thornton, Thomas J. Bannan, James Brean, James R. Hopkins, James D. Lee, Beth S. Nelson, Carl Percival, Andrew R. Rickard, Marvin D. Shaw, Peter M. Edwards, and Jaqueline F. Hamilton
Atmos. Chem. Phys., 22, 14783–14798, https://doi.org/10.5194/acp-22-14783-2022, https://doi.org/10.5194/acp-22-14783-2022, 2022
Short summary
Short summary
Isoprene nitrates are chemical species commonly found in the atmosphere that are important for their impacts on air quality and climate. This paper compares 3 different representations of the chemistry of isoprene nitrates in computational models highlighting cases where the choice of chemistry included has significant impacts on the concentration and composition of the modelled nitrates. Calibration of mass spectrometers is also shown to be an important factor when analysing isoprene nitrates.
Aristeidis Voliotis, Mao Du, Yu Wang, Yunqi Shao, M. Rami Alfarra, Thomas J. Bannan, Dawei Hu, Kelly L. Pereira, Jaqueline F. Hamilton, Mattias Hallquist, Thomas F. Mentel, and Gordon McFiggans
Atmos. Chem. Phys., 22, 14147–14175, https://doi.org/10.5194/acp-22-14147-2022, https://doi.org/10.5194/acp-22-14147-2022, 2022
Short summary
Short summary
Mixing experiments are crucial and highly beneficial for our understanding of atmospheric chemical interactions. However, interpretation quickly becomes complex, and both the experimental design and evaluation need to be scrutinised carefully. Advanced online and offline compositional measurements can reveal substantial additional information to aid in the interpretation of yield data, including components uniquely found in mixtures and property changes in SOA formed from mixtures of VOCs.
Aristeidis Voliotis, Mao Du, Yu Wang, Yunqi Shao, Thomas J. Bannan, Michael Flynn, Spyros N. Pandis, Carl J. Percival, M. Rami Alfarra, and Gordon McFiggans
Atmos. Chem. Phys., 22, 13677–13693, https://doi.org/10.5194/acp-22-13677-2022, https://doi.org/10.5194/acp-22-13677-2022, 2022
Short summary
Short summary
The addition of a low-yield precursor to the reactive mixture of aVOC and bVOC can increase or decrease the SOA volatility that is system-dependent. Therefore, the SOA volatility of the mixtures cannot always be predicted based on the additivity. In complex mixtures the formation of lower-volatility products likely outweighs the formation of products with higher volatility. The unique products of each mixture contribute significantly to the signal, suggesting interactions can be important.
Ruiqi Man, Zhijun Wu, Taomou Zong, Aristeidis Voliotis, Yanting Qiu, Johannes Größ, Dominik van Pinxteren, Limin Zeng, Hartmut Herrmann, Alfred Wiedensohler, and Min Hu
Atmos. Chem. Phys., 22, 12387–12399, https://doi.org/10.5194/acp-22-12387-2022, https://doi.org/10.5194/acp-22-12387-2022, 2022
Short summary
Short summary
Regional and total deposition doses for different age groups were quantified based on explicit hygroscopicity measurements. We found that particle hygroscopic growth led to a reduction (~24 %) in the total dose. The deposition rate of hygroscopic particles was higher in the daytime, while hydrophobic particles exhibited a higher rate at night and during rush hours. The results will deepen the understanding of the impact of hygroscopicity and the mixing state on deposition patterns in the lungs.
Yunqi Shao, Aristeidis Voliotis, Mao Du, Yu Wang, Kelly Pereira, Jacqueline Hamilton, M. Rami Alfarra, and Gordon McFiggans
Atmos. Chem. Phys., 22, 9799–9826, https://doi.org/10.5194/acp-22-9799-2022, https://doi.org/10.5194/acp-22-9799-2022, 2022
Short summary
Short summary
This study explored the chemical properties of secondary organic aerosol (SOA) that formed from photo-oxidation of single and mixed biogenic and anthropogenic precursors. We showed that SOA chemical properties in a mixed vapour system are mainly affected by the
higher-yield precursor's oxidation products and products from
cross-product formation. This study also identifies potential tracer compounds in a mixed vapour system that might be used in SOA source attribution in future ambient studies.
Sebastian Diez, Stuart E. Lacy, Thomas J. Bannan, Michael Flynn, Tom Gardiner, David Harrison, Nicholas Marsden, Nicholas A. Martin, Katie Read, and Pete M. Edwards
Atmos. Meas. Tech., 15, 4091–4105, https://doi.org/10.5194/amt-15-4091-2022, https://doi.org/10.5194/amt-15-4091-2022, 2022
Short summary
Short summary
Regardless of the cost of the measuring instrument, there are no perfect measurements. For this reason, we compare the quality of the information provided by cheap devices when they are used to measure air pollutants and we try to emphasise that before judging the potential usefulness of the devices, the user must specify his own needs. Since commonly used performance indices/metrics can be misleading in qualifying this, we propose complementary visual analysis to the more commonly used metrics.
Yu Wang, Aristeidis Voliotis, Dawei Hu, Yunqi Shao, Mao Du, Ying Chen, Judith Kleinheins, Claudia Marcolli, M. Rami Alfarra, and Gordon McFiggans
Atmos. Chem. Phys., 22, 4149–4166, https://doi.org/10.5194/acp-22-4149-2022, https://doi.org/10.5194/acp-22-4149-2022, 2022
Short summary
Short summary
Aerosol water uptake plays a key role in atmospheric physicochemical processes. We designed chamber experiments on aerosol water uptake of secondary organic aerosol (SOA) from mixed biogenic and anthropogenic precursors with inorganic seed. Our results highlight this chemical composition influences the reconciliation of the sub- and super-saturated water uptake, providing laboratory evidence for understanding the chemical controls of water uptake of the multi-component aerosol.
Jessica Slater, Hugh Coe, Gordon McFiggans, Juha Tonttila, and Sami Romakkaniemi
Atmos. Chem. Phys., 22, 2937–2953, https://doi.org/10.5194/acp-22-2937-2022, https://doi.org/10.5194/acp-22-2937-2022, 2022
Short summary
Short summary
This paper shows the specific impact of black carbon (BC) on the aerosol–planetary boundary layer (PBL) feedback and its influence on a Beijing haze episode. Overall, this paper shows that strong temperature inversions prevent BC heating within the PBL from significantly increasing PBL height, while BC above the PBL suppresses PBL development significantly through the day. From this we suggest a method by which both locally and regionally emitted BC may impact urban pollution episodes.
Yunqi Shao, Yu Wang, Mao Du, Aristeidis Voliotis, M. Rami Alfarra, Simon P. O'Meara, S. Fiona Turner, and Gordon McFiggans
Atmos. Meas. Tech., 15, 539–559, https://doi.org/10.5194/amt-15-539-2022, https://doi.org/10.5194/amt-15-539-2022, 2022
Short summary
Short summary
A comprehensive description and characterisation of the Manchester Aerosol Chamber (MAC) was conducted. The MAC has good temperature and relative humidity homogeneity, fast mixing times, and comparable losses of gases and particles with other chambers. The MAC's bespoke control system allows improved duty cycles and repeatable experiments. Moreover, the effect of contamination on performance was also investigated. It is highly recommended to regularly track the chamber's performance.
Dawei Hu, M. Rami Alfarra, Kate Szpek, Justin M. Langridge, Michael I. Cotterell, Claire Belcher, Ian Rule, Zixia Liu, Chenjie Yu, Yunqi Shao, Aristeidis Voliotis, Mao Du, Brett Smith, Greg Smallwood, Prem Lobo, Dantong Liu, Jim M. Haywood, Hugh Coe, and James D. Allan
Atmos. Chem. Phys., 21, 16161–16182, https://doi.org/10.5194/acp-21-16161-2021, https://doi.org/10.5194/acp-21-16161-2021, 2021
Short summary
Short summary
Here, we developed new techniques for investigating these properties in the laboratory and applied these to BC and BrC from different sources, including diesel exhaust, inverted propane flame and wood combustion. These have allowed us to quantify the changes in shape and chemical composition of different soots according to source and variables such as the moisture content of wood.
Aristeidis Voliotis, Yu Wang, Yunqi Shao, Mao Du, Thomas J. Bannan, Carl J. Percival, Spyros N. Pandis, M. Rami Alfarra, and Gordon McFiggans
Atmos. Chem. Phys., 21, 14251–14273, https://doi.org/10.5194/acp-21-14251-2021, https://doi.org/10.5194/acp-21-14251-2021, 2021
Short summary
Short summary
Secondary organic aerosol (SOA) formation from mixtures of volatile precursors can be affected by the molecular interactions of the products. Composition and volatility measurements of SOA formed from mixtures of anthropogenic and biogenic precursors reveal processes that can increase or decrease the SOA volatility. The unique products of the mixture were more oxygenated and less volatile than those from either precursor. Analytical context is provided to explore the SOA volatility in mixtures.
Xuan Wang, Daniel J. Jacob, William Downs, Shuting Zhai, Lei Zhu, Viral Shah, Christopher D. Holmes, Tomás Sherwen, Becky Alexander, Mathew J. Evans, Sebastian D. Eastham, J. Andrew Neuman, Patrick R. Veres, Theodore K. Koenig, Rainer Volkamer, L. Gregory Huey, Thomas J. Bannan, Carl J. Percival, Ben H. Lee, and Joel A. Thornton
Atmos. Chem. Phys., 21, 13973–13996, https://doi.org/10.5194/acp-21-13973-2021, https://doi.org/10.5194/acp-21-13973-2021, 2021
Short summary
Short summary
Halogen radicals have a broad range of implications for tropospheric chemistry, air quality, and climate. We present a new mechanistic description and comprehensive simulation of tropospheric halogens in a global 3-D model and compare the model results with surface and aircraft measurements. We find that halogen chemistry decreases the global tropospheric burden of ozone by 11 %, NOx by 6 %, and OH by 4 %.
Beth S. Nelson, Gareth J. Stewart, Will S. Drysdale, Mike J. Newland, Adam R. Vaughan, Rachel E. Dunmore, Pete M. Edwards, Alastair C. Lewis, Jacqueline F. Hamilton, W. Joe Acton, C. Nicholas Hewitt, Leigh R. Crilley, Mohammed S. Alam, Ülkü A. Şahin, David C. S. Beddows, William J. Bloss, Eloise Slater, Lisa K. Whalley, Dwayne E. Heard, James M. Cash, Ben Langford, Eiko Nemitz, Roberto Sommariva, Sam Cox, Shivani, Ranu Gadi, Bhola R. Gurjar, James R. Hopkins, Andrew R. Rickard, and James D. Lee
Atmos. Chem. Phys., 21, 13609–13630, https://doi.org/10.5194/acp-21-13609-2021, https://doi.org/10.5194/acp-21-13609-2021, 2021
Short summary
Short summary
Ozone production at an urban site in Delhi is sensitive to volatile organic compound (VOC) concentrations, particularly those of the aromatic, monoterpene, and alkene VOC classes. The change in ozone production by varying atmospheric pollutants according to their sources, as defined in an emissions inventory, is investigated. The study suggests that reducing road transport emissions alone does not reduce reactive VOCs in the atmosphere enough to perturb an increase in ozone production.
James Weber, Scott Archer-Nicholls, Nathan Luke Abraham, Youngsub M. Shin, Thomas J. Bannan, Carl J. Percival, Asan Bacak, Paulo Artaxo, Michael Jenkin, M. Anwar H. Khan, Dudley E. Shallcross, Rebecca H. Schwantes, Jonathan Williams, and Alex T. Archibald
Geosci. Model Dev., 14, 5239–5268, https://doi.org/10.5194/gmd-14-5239-2021, https://doi.org/10.5194/gmd-14-5239-2021, 2021
Short summary
Short summary
The new mechanism CRI-Strat 2 features state-of-the-art isoprene chemistry not previously available in UKCA and improves UKCA's ability to reproduce observed concentrations of isoprene, monoterpenes, and OH in tropical regions. The enhanced ability to model isoprene, the most widely emitted non-methane volatile organic compound (VOC), will allow understanding of how isoprene and other biogenic VOCs affect atmospheric composition and, through biosphere–atmosphere feedbacks, climate change.
Ernesto Reyes-Villegas, Upasana Panda, Eoghan Darbyshire, James M. Cash, Rutambhara Joshi, Ben Langford, Chiara F. Di Marco, Neil J. Mullinger, Mohammed S. Alam, Leigh R. Crilley, Daniel J. Rooney, W. Joe F. Acton, Will Drysdale, Eiko Nemitz, Michael Flynn, Aristeidis Voliotis, Gordon McFiggans, Hugh Coe, James Lee, C. Nicholas Hewitt, Mathew R. Heal, Sachin S. Gunthe, Tuhin K. Mandal, Bhola R. Gurjar, Shivani, Ranu Gadi, Siddhartha Singh, Vijay Soni, and James D. Allan
Atmos. Chem. Phys., 21, 11655–11667, https://doi.org/10.5194/acp-21-11655-2021, https://doi.org/10.5194/acp-21-11655-2021, 2021
Short summary
Short summary
This paper shows the first multisite online measurements of PM1 in Delhi, India, with measurements over different seasons in Old Delhi and New Delhi in 2018. Organic aerosol (OA) source apportionment was performed using positive matrix factorisation (PMF). Traffic was the main primary aerosol source for both OAs and black carbon, seen with PMF and Aethalometer model analysis, indicating that control of primary traffic exhaust emissions would make a significant reduction to Delhi air pollution.
Yu Wang, Aristeidis Voliotis, Yunqi Shao, Taomou Zong, Xiangxinyue Meng, Mao Du, Dawei Hu, Ying Chen, Zhijun Wu, M. Rami Alfarra, and Gordon McFiggans
Atmos. Chem. Phys., 21, 11303–11316, https://doi.org/10.5194/acp-21-11303-2021, https://doi.org/10.5194/acp-21-11303-2021, 2021
Short summary
Short summary
Aerosol phase behaviour plays a profound role in atmospheric physicochemical processes. We designed dedicated chamber experiments to study the phase state of secondary organic aerosol from biogenic and anthropogenic mixed precursors. Our results highlight the key role of the organic–inorganic ratio and relative humidity in phase state, but the sources and organic composition are less important. The result provides solid laboratory evidence for understanding aerosol phase in a complex atmosphere.
Benjamin A. Nault, Duseong S. Jo, Brian C. McDonald, Pedro Campuzano-Jost, Douglas A. Day, Weiwei Hu, Jason C. Schroder, James Allan, Donald R. Blake, Manjula R. Canagaratna, Hugh Coe, Matthew M. Coggon, Peter F. DeCarlo, Glenn S. Diskin, Rachel Dunmore, Frank Flocke, Alan Fried, Jessica B. Gilman, Georgios Gkatzelis, Jacqui F. Hamilton, Thomas F. Hanisco, Patrick L. Hayes, Daven K. Henze, Alma Hodzic, James Hopkins, Min Hu, L. Greggory Huey, B. Thomas Jobson, William C. Kuster, Alastair Lewis, Meng Li, Jin Liao, M. Omar Nawaz, Ilana B. Pollack, Jeffrey Peischl, Bernhard Rappenglück, Claire E. Reeves, Dirk Richter, James M. Roberts, Thomas B. Ryerson, Min Shao, Jacob M. Sommers, James Walega, Carsten Warneke, Petter Weibring, Glenn M. Wolfe, Dominique E. Young, Bin Yuan, Qiang Zhang, Joost A. de Gouw, and Jose L. Jimenez
Atmos. Chem. Phys., 21, 11201–11224, https://doi.org/10.5194/acp-21-11201-2021, https://doi.org/10.5194/acp-21-11201-2021, 2021
Short summary
Short summary
Secondary organic aerosol (SOA) is an important aspect of poor air quality for urban regions around the world, where a large fraction of the population lives. However, there is still large uncertainty in predicting SOA in urban regions. Here, we used data from 11 urban campaigns and show that the variability in SOA production in these regions is predictable and is explained by key emissions. These results are used to estimate the premature mortality associated with SOA in urban regions.
Zainab Bibi, Hugh Coe, James Brooks, Paul I. Williams, Ernesto Reyes-Villegas, Michael Priestley, Carl J. Percival, and James D. Allan
Atmos. Chem. Phys., 21, 10763–10777, https://doi.org/10.5194/acp-21-10763-2021, https://doi.org/10.5194/acp-21-10763-2021, 2021
Short summary
Short summary
We are presenting a new method to apportion black carbon/soot into multiple sources through the inclusion of fullerene and metal data into HR-SP-AMS factorisation. While this itself would be considered a technical development, we can present a budget of contributions to measured BC during the event studied, including the conclusion that fireworks contributed little compared to the bonfire, traffic, and domestic wood-burning emissions.
Michael Priestley, Thomas J. Bannan, Michael Le Breton, Stephen D. Worrall, Sungah Kang, Iida Pullinen, Sebastian Schmitt, Ralf Tillmann, Einhard Kleist, Defeng Zhao, Jürgen Wildt, Olga Garmash, Archit Mehra, Asan Bacak, Dudley E. Shallcross, Astrid Kiendler-Scharr, Åsa M. Hallquist, Mikael Ehn, Hugh Coe, Carl J. Percival, Mattias Hallquist, Thomas F. Mentel, and Gordon McFiggans
Atmos. Chem. Phys., 21, 3473–3490, https://doi.org/10.5194/acp-21-3473-2021, https://doi.org/10.5194/acp-21-3473-2021, 2021
Short summary
Short summary
A significant fraction of emissions from human activity consists of aromatic hydrocarbons, e.g. benzene, which oxidise to form new compounds important for particle growth. Characterisation of benzene oxidation products highlights the range of species produced as well as their chemical properties and contextualises them within relevant frameworks, e.g. MCM. Cluster analysis of the oxidation product time series distinguishes behaviours of CHON compounds that could aid in identifying functionality.
Gareth J. Stewart, Beth S. Nelson, W. Joe F. Acton, Adam R. Vaughan, Naomi J. Farren, James R. Hopkins, Martyn W. Ward, Stefan J. Swift, Rahul Arya, Arnab Mondal, Ritu Jangirh, Sakshi Ahlawat, Lokesh Yadav, Sudhir K. Sharma, Siti S. M. Yunus, C. Nicholas Hewitt, Eiko Nemitz, Neil Mullinger, Ranu Gadi, Lokesh K. Sahu, Nidhi Tripathi, Andrew R. Rickard, James D. Lee, Tuhin K. Mandal, and Jacqueline F. Hamilton
Atmos. Chem. Phys., 21, 2407–2426, https://doi.org/10.5194/acp-21-2407-2021, https://doi.org/10.5194/acp-21-2407-2021, 2021
Short summary
Short summary
Biomass burning releases many lower-molecular-weight organic species which are difficult to analyse but important for the formation of organic aerosol. This study examined a new high-resolution technique to better characterise these difficult-to-analyse organic components. Some burning sources analysed in this study, such as cow dung cake and municipal solid waste, released extremely complex mixtures containing many thousands of different lower-volatility organic compounds.
Gareth J. Stewart, W. Joe F. Acton, Beth S. Nelson, Adam R. Vaughan, James R. Hopkins, Rahul Arya, Arnab Mondal, Ritu Jangirh, Sakshi Ahlawat, Lokesh Yadav, Sudhir K. Sharma, Rachel E. Dunmore, Siti S. M. Yunus, C. Nicholas Hewitt, Eiko Nemitz, Neil Mullinger, Ranu Gadi, Lokesh K. Sahu, Nidhi Tripathi, Andrew R. Rickard, James D. Lee, Tuhin K. Mandal, and Jacqueline F. Hamilton
Atmos. Chem. Phys., 21, 2383–2406, https://doi.org/10.5194/acp-21-2383-2021, https://doi.org/10.5194/acp-21-2383-2021, 2021
Short summary
Short summary
Biomass burning is a major source of trace gases to the troposphere; however, the composition and quantity of emissions vary greatly between different fuel types. This work provided near-total quantitation of non-methane volatile organic compounds from combustion of biofuels from India. Emissions from cow dung cake combustion were significantly larger than conventional fuelwood combustion, potentially indicating that this source has a disproportionately large impact on regional air quality.
Lisa K. Whalley, Eloise J. Slater, Robert Woodward-Massey, Chunxiang Ye, James D. Lee, Freya Squires, James R. Hopkins, Rachel E. Dunmore, Marvin Shaw, Jacqueline F. Hamilton, Alastair C. Lewis, Archit Mehra, Stephen D. Worrall, Asan Bacak, Thomas J. Bannan, Hugh Coe, Carl J. Percival, Bin Ouyang, Roderic L. Jones, Leigh R. Crilley, Louisa J. Kramer, William J. Bloss, Tuan Vu, Simone Kotthaus, Sue Grimmond, Yele Sun, Weiqi Xu, Siyao Yue, Lujie Ren, W. Joe F. Acton, C. Nicholas Hewitt, Xinming Wang, Pingqing Fu, and Dwayne E. Heard
Atmos. Chem. Phys., 21, 2125–2147, https://doi.org/10.5194/acp-21-2125-2021, https://doi.org/10.5194/acp-21-2125-2021, 2021
Short summary
Short summary
To understand how emission controls will impact ozone, an understanding of the sources and sinks of OH and the chemical cycling between peroxy radicals is needed. This paper presents measurements of OH, HO2 and total RO2 taken in central Beijing. The radical observations are compared to a detailed chemistry model, which shows that under low NO conditions, there is a missing OH source. Under high NOx conditions, the model under-predicts RO2 and impacts our ability to model ozone.
Mike J. Newland, Daniel J. Bryant, Rachel E. Dunmore, Thomas J. Bannan, W. Joe F. Acton, Ben Langford, James R. Hopkins, Freya A. Squires, William Dixon, William S. Drysdale, Peter D. Ivatt, Mathew J. Evans, Peter M. Edwards, Lisa K. Whalley, Dwayne E. Heard, Eloise J. Slater, Robert Woodward-Massey, Chunxiang Ye, Archit Mehra, Stephen D. Worrall, Asan Bacak, Hugh Coe, Carl J. Percival, C. Nicholas Hewitt, James D. Lee, Tianqu Cui, Jason D. Surratt, Xinming Wang, Alastair C. Lewis, Andrew R. Rickard, and Jacqueline F. Hamilton
Atmos. Chem. Phys., 21, 1613–1625, https://doi.org/10.5194/acp-21-1613-2021, https://doi.org/10.5194/acp-21-1613-2021, 2021
Short summary
Short summary
We report the formation of secondary pollutants in the urban megacity of Beijing that are typically associated with remote regions such as rainforests. This is caused by extremely low levels of nitric oxide (NO), typically expected to be high in urban areas, observed in the afternoon. This work has significant implications for how we understand atmospheric chemistry in the urban environment and thus for how to implement effective policies to improve urban air quality.
Simon Patrick O'Meara, Shuxuan Xu, David Topping, M. Rami Alfarra, Gerard Capes, Douglas Lowe, Yunqi Shao, and Gordon McFiggans
Geosci. Model Dev., 14, 675–702, https://doi.org/10.5194/gmd-14-675-2021, https://doi.org/10.5194/gmd-14-675-2021, 2021
Short summary
Short summary
User-friendly and open-source software for simulating aerosol chambers is a valuable tool for research scientists in designing and analysing their experiments. This paper describes a new version of such software and will therefore provide a useful reference for those applying it. Central to the paper is an assessment of the software's accuracy through comparison against previously published simulations.
Patrick A. Barker, Grant Allen, Martin Gallagher, Joseph R. Pitt, Rebecca E. Fisher, Thomas Bannan, Euan G. Nisbet, Stéphane J.-B. Bauguitte, Dominika Pasternak, Samuel Cliff, Marina B. Schimpf, Archit Mehra, Keith N. Bower, James D. Lee, Hugh Coe, and Carl J. Percival
Atmos. Chem. Phys., 20, 15443–15459, https://doi.org/10.5194/acp-20-15443-2020, https://doi.org/10.5194/acp-20-15443-2020, 2020
Short summary
Short summary
Africa is estimated to account for approximately 52 % of global biomass burning (BB) carbon emissions. Despite this, there has been little previous in situ study of African BB emissions. This work presents BB emission factors for various atmospheric trace gases sampled from an aircraft in two distinct areas of Africa (Senegal and Uganda). Intracontinental variability in biomass burning methane emission is identified, which is attributed to difference in the specific fuel mixtures burnt.
Eloise J. Slater, Lisa K. Whalley, Robert Woodward-Massey, Chunxiang Ye, James D. Lee, Freya Squires, James R. Hopkins, Rachel E. Dunmore, Marvin Shaw, Jacqueline F. Hamilton, Alastair C. Lewis, Leigh R. Crilley, Louisa Kramer, William Bloss, Tuan Vu, Yele Sun, Weiqi Xu, Siyao Yue, Lujie Ren, W. Joe F. Acton, C. Nicholas Hewitt, Xinming Wang, Pingqing Fu, and Dwayne E. Heard
Atmos. Chem. Phys., 20, 14847–14871, https://doi.org/10.5194/acp-20-14847-2020, https://doi.org/10.5194/acp-20-14847-2020, 2020
Short summary
Short summary
The paper details atmospheric chemistry in a megacity (Beijing), focussing on radicals which mediate the formation of secondary pollutants such as ozone and particles. Highly polluted conditions were experienced, including the highest ever levels of nitric oxide (NO), with simultaneous radical measurements. Radical concentrations were large during "haze" events, demonstrating active photochemistry. Modelling showed that our understanding of the chemistry at high NOx levels is incomplete.
Jingsha Xu, Shaojie Song, Roy M. Harrison, Congbo Song, Lianfang Wei, Qiang Zhang, Yele Sun, Lu Lei, Chao Zhang, Xiaohong Yao, Dihui Chen, Weijun Li, Miaomiao Wu, Hezhong Tian, Lining Luo, Shengrui Tong, Weiran Li, Junling Wang, Guoliang Shi, Yanqi Huangfu, Yingze Tian, Baozhu Ge, Shaoli Su, Chao Peng, Yang Chen, Fumo Yang, Aleksandra Mihajlidi-Zelić, Dragana Đorđević, Stefan J. Swift, Imogen Andrews, Jacqueline F. Hamilton, Ye Sun, Agung Kramawijaya, Jinxiu Han, Supattarachai Saksakulkrai, Clarissa Baldo, Siqi Hou, Feixue Zheng, Kaspar R. Daellenbach, Chao Yan, Yongchun Liu, Markku Kulmala, Pingqing Fu, and Zongbo Shi
Atmos. Meas. Tech., 13, 6325–6341, https://doi.org/10.5194/amt-13-6325-2020, https://doi.org/10.5194/amt-13-6325-2020, 2020
Short summary
Short summary
An interlaboratory comparison was conducted for the first time to examine differences in water-soluble inorganic ions (WSIIs) measured by 10 labs using ion chromatography (IC) and by two online aerosol chemical speciation monitor (ACSM) methods. Major ions including SO42−, NO3− and NH4+ agreed well in 10 IC labs and correlated well with ACSM data. WSII interlab variability strongly affected aerosol acidity results based on ion balance, but aerosol pH computed by ISORROPIA II was very similar.
Atallah Elzein, Gareth J. Stewart, Stefan J. Swift, Beth S. Nelson, Leigh R. Crilley, Mohammed S. Alam, Ernesto Reyes-Villegas, Ranu Gadi, Roy M. Harrison, Jacqueline F. Hamilton, and Alastair C. Lewis
Atmos. Chem. Phys., 20, 14303–14319, https://doi.org/10.5194/acp-20-14303-2020, https://doi.org/10.5194/acp-20-14303-2020, 2020
Short summary
Short summary
We collected high-frequency air particle samples (PM2.5) in Beijing (China) and Delhi (India) and measured the concentration of PAHs in daytime and night-time. PAHs were higher in Delhi than in Beijing, and the five-ring PAHs contribute the most to the total PAH concentration. We compared the emission sources and identified the major sectors that could be subject to mitigation measures. The adverse health effects from inhalation exposure to PAHs in Delhi are 2.2 times higher than in Beijing.
Jessica Slater, Juha Tonttila, Gordon McFiggans, Paul Connolly, Sami Romakkaniemi, Thomas Kühn, and Hugh Coe
Atmos. Chem. Phys., 20, 11893–11906, https://doi.org/10.5194/acp-20-11893-2020, https://doi.org/10.5194/acp-20-11893-2020, 2020
Short summary
Short summary
The feedback effect between aerosol particles, radiation and meteorology reduces turbulent motion and results in increased surface aerosol concentrations during Beijing haze. Observational analysis and regional modelling studies have examined the feedback effect but these studies are limited. In this work, we set up a high-resolution model for the Beijing environment to examine the sensitivity of the aerosol feedback effect to initial meteorological conditions and aerosol loading.
David Topping, David Watts, Hugh Coe, James Evans, Thomas J. Bannan, Douglas Lowe, Caroline Jay, and Jonathan W. Taylor
Geosci. Model Dev. Discuss., https://doi.org/10.5194/gmd-2020-270, https://doi.org/10.5194/gmd-2020-270, 2020
Publication in GMD not foreseen
Short summary
Short summary
Time-series forecasting methods have often been used to mitigate some of the challenges associated with deploying chemical transport models. In this study we deploy and evaluate Facebook’s Prophetmodel v0.6 in predicting hourly concentrations of Nitrogen Dioxide [NO2]. et. Overall we find the Prophet model offers a relatively effective and simple way to make predictions about NO2 at local levels.
Cited articles
Alfarra, M. R., Hamilton, J. F., Wyche, K. P., Good, N., Ward, M. W., Carr, T., Barley, M. H., Monks, P. S., Jenkin, M. E., Lewis, A. C., and McFiggans, G. B.: The effect of photochemical ageing and initial precursor concentration on the composition and hygroscopic properties of β-caryophyllene secondary organic aerosol, Atmos. Chem. Phys., 12, 6417–6436, https://doi.org/10.5194/acp-12-6417-2012, 2012.
Banerjee, S. and Mazumdar, S.: Electrospray ionization mass spectrometry: a
technique to access the information beyond the molecular weight of the
analyte, Int. J. Anal. Chem., 2012, 282574, https://doi.org/10.1155/2012/282574, 2012.
Bannan, T. J., Le Breton, M., Priestley, M., Worrall, S. D., Bacak, A., Marsden, N. A., Mehra, A., Hammes, J., Hallquist, M., Alfarra, M. R., Krieger, U. K., Reid, J. P., Jayne, J., Robinson, W., McFiggans, G., Coe, H., Percival, C. J., and Topping, D.: A method for extracting calibrated volatility information from the FIGAERO-HR-ToF-CIMS and its experimental application, Atmos. Meas. Tech., 12, 1429–1439, https://doi.org/10.5194/amt-12-1429-2019, 2019.
Bar-Joseph, Z., Gifford, D. K., and Jaakkola, T. S.: Fast optimal leaf ordering for hierarchical clustering, Bioinformatics, 17(suppl_1), S22–S29, https://doi.org/10.1093/bioinformatics/17.suppl_1.S22, 2001.
Barley, M. H. and McFiggans, G.: The critical assessment of vapour pressure estimation methods for use in modelling the formation of atmospheric organic aerosol, Atmos. Chem. Phys., 10, 749–767, https://doi.org/10.5194/acp-10-749-2010, 2010.
Bateman, A. P., Nizkorodov, S. A., Laskin, J., and Laskin, A.:
High-resolution electrospray ionization mass spectrometry analysis of
water-soluble organic aerosols collected with a particle into liquid
sampler, Anal. Chem., 82, 8010–8016, https://doi.org/10.1021/ac1014386, 2010.
Bilde, M., Barsanti, K., Booth, M., Cappa, C. D., Donahue, N. M.,
Emanuelsson, E. U., McFiggans, G., Krieger, U. K., Marcolli, C., Topping,
D., Ziemann, P., Barley, M., Clegg, S., Dennis-Smither, B., Hallquist, M.,
Hallquist, A. M., Khlystov, A., Kulmala, M., Mogensen, D., Percival, C. J.,
Pope, F., Reid, J. P., Ribeiro da Silva, M. A., Rosenoern, T., Salo, K.,
Soonsin, V. P., Yli-Juuti, T., Prisle, N. L., Pagels, J., Rarey, J.,
Zardini, A. A., and Riipinen, I.: Saturation vapor pressures and transition
enthalpies of low-volatility organic molecules of atmospheric relevance:
from dicarboxylic acids to complex mixtures, Chem. Rev., 115, 4115–4156,
https://doi.org/10.1021/cr5005502, 2015.
Bryant, D. J., Dixon, W. J., Hopkins, J. R., Dunmore, R. E., Pereira, K. L., Shaw, M., Squires, F. A., Bannan, T. J., Mehra, A., Worrall, S. D., Bacak, A., Coe, H., Percival, C. J., Whalley, L. K., Heard, D. E., Slater, E. J., Ouyang, B., Cui, T., Surratt, J. D., Liu, D., Shi, Z., Harrison, R., Sun, Y., Xu, W., Lewis, A. C., Lee, J. D., Rickard, A. R., and Hamilton, J. F.: Strong anthropogenic control of secondary organic aerosol formation from isoprene in Beijing, Atmos. Chem. Phys., 20, 7531–7552, https://doi.org/10.5194/acp-20-7531-2020, 2020.
Burkholder, J. B., Abbatt, J. P., Barnes, I., Roberts, J. M., Melamed, M.
L., Ammann, M., Bertram, A. K., Cappa, C. D., Carlton, A. G., Carpenter, L.
J., Crowley, J. N., Dubowski, Y., George, C., Heard, D. E., Herrmann, H.,
Keutsch, F. N., Kroll, J. H., McNeill, V. F., Ng, N. L., Nizkorodov, S. A.,
Orlando, J. J., Percival, C. J., Picquet-Varrault, B., Rudich, Y., Seakins,
P. W., Surratt, J. D., Tanimoto, H., Thornton, J. A., Tong, Z., Tyndall, G.
S., Wahner, A., Weschler, C. J., Wilson, K. R., and Ziemann, P. J.: The
Essential Role for Laboratory Studies in Atmospheric Chemistry, Environ. Sci.
Technol., 51, 2519–2528, https://doi.org/10.1021/acs.est.6b04947, 2017.
Calvo, A. I., Alves, C., Castro, A., Pont, V., Vicente, A. M., and Fraile,
R.: Research on aerosol sources and chemical composition: Past, current and
emerging issues, Atmos. Res., 120–121, 1–28,
https://doi.org/10.1016/j.atmosres.2012.09.021, 2013.
Chen, Y., Zhang, Y., Lambe, A. T., Xu, R., Lei, Z., Olson, N. E., Zhang, Z.,
Szalkowski, T., Cui, T., Vizuete, W., Gold, A., Turpin, B. J., Ault, A. P.,
Chan, M. N., and Surratt, J. D.: Heterogeneous Hydroxyl Radical Oxidation of
Isoprene-Epoxydiol-Derived Methyltetrol Sulfates: Plausible Formation
Mechanisms of Previously Unexplained Organosulfates in Ambient Fine
Aerosols, Environ. Sci. Tech. Let., 7, 460–468,
https://doi.org/10.1021/acs.estlett.0c00276, 2020.
Chhabra, P. S., Ng, N. L., Canagaratna, M. R., Corrigan, A. L., Russell, L. M., Worsnop, D. R., Flagan, R. C., and Seinfeld, J. H.: Elemental composition and oxidation of chamber organic aerosol, Atmos. Chem. Phys., 11, 8827–8845, https://doi.org/10.5194/acp-11-8827-2011, 2011.
Claeys, M., Iinuma, Y., Szmigielski, R., Surratt, J. D., Blockhuys, F., Van
Alsenoy, C., Boge, O., Sierau, B., Gomez-Gonzalez, Y., Vermeylen, R., Van
der Veken, P., Shahgholi, M., Chan, A. W., Herrmann, H., Seinfeld, J. H.,
and Maenhaut, W.: Terpenylic acid and related compounds from the oxidation
of α-pinene: implications for new particle formation and growth above
forests, Environ. Sci. Technol., 43, 6976–6982, https://doi.org/10.1021/es9007596, 2009.
Cocker, D. R., Flagan, R. C., and Seinfeld, J. H.: State-of-the-art chamber facility for studying atmospheric aerosol chemistry, Environ. Sci. Technol., 35, 2594–2601, https://doi.org/10.1021/es0019169, 2001.
Compernolle, S., Ceulemans, K., and Müller, J.-F.: EVAPORATION: a new vapour pressure estimation methodfor organic molecules including non-additivity and intramolecular interactions, Atmos. Chem. Phys., 11, 9431–9450, https://doi.org/10.5194/acp-11-9431-2011, 2011.
D'Ambro, E. L., Schobesberger, S., Gaston, C. J., Lopez-Hilfiker, F. D., Lee, B. H., Liu, J., Zelenyuk, A., Bell, D., Cappa, C. D., Helgestad, T., Li, Z., Guenther, A., Wang, J., Wise, M., Caylor, R., Surratt, J. D., Riedel, T., Hyttinen, N., Salo, V.-T., Hasan, G., Kurtén, T., Shilling, J. E., and Thornton, J. A.: Chamber-based insights into the factors controlling epoxydiol (IEPOX) secondary organic aerosol (SOA) yield, composition, and volatility, Atmos. Chem. Phys., 19, 11253–11265, https://doi.org/10.5194/acp-19-11253-2019, 2019.
Demarque, D. P., Crotti, A. E., Vessecchi, R., Lopes, J. L., and Lopes, N.
P.: Fragmentation reactions using electrospray ionization mass spectrometry:
an important tool for the structural elucidation and characterization of
synthetic and natural products, Nat. Prod. Rep., 33, 432–455,
https://doi.org/10.1039/c5np00073d, 2016.
Donahue, N. M., Robinson, A. L., Stanier, C. O., and Pandis, S. N.: Coupled
partitioning, dilution, and chemical aging of semivolatile organics, Environ.
Sci. Technol., 40, 2635–2643, https://doi.org/10.1021/es052297c, 2006.
Eddingsaas, N. C., Loza, C. L., Yee, L. D., Seinfeld, J. H., and Wennberg, P. O.: α-pinene photooxidation under controlled chemical conditions – Part 1: Gas-phase composition in low- and high-NOx environments, Atmos. Chem. Phys., 12, 6489–6504, https://doi.org/10.5194/acp-12-6489-2012, 2012a.
Eddingsaas, N. C., Loza, C. L., Yee, L. D., Chan, M., Schilling, K. A., Chhabra, P. S., Seinfeld, J. H., and Wennberg, P. O.: α-pinene photooxidation under controlled chemical conditions – Part 2: SOA yield and composition in low- and high-NOx environments, Atmos. Chem. Phys., 12, 7413–7427, https://doi.org/10.5194/acp-12-7413-2012, 2012b.
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.
Goldstein, A. H. and Galbally, I. E.: Known and unknown organic constituents
in the Earth' s atmosphere, Environ. Sci. Technol., 41, 1514–1521,
https://doi.org/10.1021/es072476p, 2007.
Guenther, A. B., Jiang, X., Heald, C. L., Sakulyanontvittaya, T., Duhl, T., Emmons, L. K., and Wang, X.: The Model of Emissions of Gases and Aerosols from Nature version 2.1 (MEGAN2.1): an extended and updated framework for modeling biogenic emissions, Geosci. Model Dev., 5, 1471–1492, https://doi.org/10.5194/gmd-5-1471-2012, 2012.
Hallquist, M., Wenger, J. C., Baltensperger, U., Rudich, Y., Simpson, D., Claeys, M., Dommen, J., Donahue, N. M., George, C., Goldstein, A. H., Hamilton, J. F., Herrmann, H., Hoffmann, T., Iinuma, Y., Jang, M., Jenkin, M. E., Jimenez, J. L., Kiendler-Scharr, A., Maenhaut, W., McFiggans, G., Mentel, Th. F., Monod, A., Prévôt, A. S. H., Seinfeld, J. H., Surratt, J. D., Szmigielski, R., and Wildt, J.: The formation, properties and impact of secondary organic aerosol: current and emerging issues, Atmos. Chem. Phys., 9, 5155–5236, https://doi.org/10.5194/acp-9-5155-2009,
2009.
Hamilton, J. F., Alfarra, M. R., Robinson, N., Ward, M. W., Lewis, A. C., McFiggans, G. B., Coe, H., and Allan, J. D.: Linking biogenic hydrocarbons to biogenic aerosol in the Borneo rainforest, Atmos. Chem. Phys., 13, 11295–11305, https://doi.org/10.5194/acp-13-11295-2013, 2013.
Hammes, J., Lutz, A., Mentel, T., Faxon, C., and Hallquist, M.: Carboxylic acids from limonene oxidation by ozone and hydroxyl radicals: insights into mechanisms derived using a FIGAERO-CIMS, Atmos. Chem. Phys., 19, 13037–13052, https://doi.org/10.5194/acp-19-13037-2019, 2019.
Hoyle, C. R., Myhre, G., Berntsen, T. K., and Isaksen, I. S. A.: Anthropogenic influence on SOA and the resulting radiative forcing, Atmos. Chem. Phys., 9, 2715–2728, https://doi.org/10.5194/acp-9-2715-2009,
2009.
Huang, W., Saathoff, H., Pajunoja, A., Shen, X., Naumann, K.-H., Wagner, R., Virtanen, A., Leisner, T., and Mohr, C.: α-Pinene secondary organic aerosol at low temperature: chemical composition and implications for particle viscosity, Atmos. Chem. Phys., 18, 2883–2898, https://doi.org/10.5194/acp-18-2883-2018, 2018.
Iinuma, Y., Muller, C., Berndt, T., Boge, O., Claeys, M., and Herrmann, H.:
Evidence for the existence of organosulfates from β-pinene ozonolysis in ambient secondary organic aerosol, Environ. Sci. Technol., 41, 6678–6683,
https://doi.org/10.1021/es070938t, 2007.
Iinuma, Y., Boge, O., Grafe, R., and Herrmann, H.: Methyl-nitrocatechols:
atmospheric tracer compounds for biomass burning secondary organic aerosols,
Environ. Sci. Technol., 44, 8453–8459, https://doi.org/10.1021/es102938a, 2010.
Isaacman-VanWertz, G., Yee, L. D., Kreisberg, N. M., Wernis, R., Moss, J.
A., Hering, S. V., de Sa, S. S., Martin, S. T., Alexander, M. L., Palm, B.
B., Hu, W., Campuzano-Jost, P., Day, D. A., Jimenez, J. L., Riva, M.,
Surratt, J. D., Viegas, J., Manzi, A., Edgerton, E., Baumann, K., Souza, R.,
Artaxo, P., and Goldstein, A. H.: Ambient Gas-Particle Partitioning of
Tracers for Biogenic Oxidation, Environ. Sci. Technol., 50, 9952–9962,
https://doi.org/10.1021/acs.est.6b01674, 2016.
Isaacman-VanWertz, G., Massoli, P., O'Brien, R. E., Nowak, J. B.,
Canagaratna, M. R., Jayne, J. T., Worsnop, D. R., Su, L., Knopf, D. A.,
Misztal, P. K., Arata, C., Goldstein, A. H., and Kroll, J. H.: Using
advanced mass spectrometry techniques to fully characterize atmospheric
organic carbon: current capabilities and remaining gaps, Faraday Discuss.,
200, 579–598, https://doi.org/10.1039/c7fd00021a, 2017.
Isaacman-VanWertz, G., Massoli, P., O'Brien, R., Lim, C., Franklin, J. P.,
Moss, J. A., Hunter, J. F., Nowak, J. B., Canagaratna, M. R., Misztal, P.
K., Arata, C., Roscioli, J. R., Herndon, S. T., Onasch, T. B., Lambe, A. T.,
Jayne, J. T., Su, L., Knopf, D. A., Goldstein, A. H., Worsnop, D. R., and
Kroll, J. H.: Chemical evolution of atmospheric organic carbon over multiple
generations of oxidation, Nat. Chem., 10, 462–468, https://doi.org/10.1038/s41557-018-0002-2, 2018.
Koss, A. R., Canagaratna, M. R., Zaytsev, A., Krechmer, J. E., Breitenlechner, M., Nihill, K. J., Lim, C. Y., Rowe, J. C., Roscioli, J. R., Keutsch, F. N., and Kroll, J. H.: Dimensionality-reduction techniques for complex mass spectrometric datasets: application to laboratory atmospheric organic oxidation experiments, Atmos. Chem. Phys., 20, 1021–1041, https://doi.org/10.5194/acp-20-1021-2020, 2020.
Kristensen, K., Cui, T., Zhang, H., Gold, A., Glasius, M., and Surratt, J. D.: Dimers in α-pinene secondary organic aerosol: effect of hydroxyl radical, ozone, relative humidity and aerosol acidity, Atmos. Chem. Phys., 14, 4201–4218, https://doi.org/10.5194/acp-14-4201-2014, 2014.
Kroll, J. H. and Seinfeld, J. H.: Chemistry of secondary organic aerosol:
Formation and evolution of low-volatility organics in the atmosphere,
Atmos. Environ., 42, 3593–3624, https://doi.org/10.1016/j.atmosenv.2008.01.003,
2008.
Kroll, J. H., Donahue, N. M., Jimenez, J. L., Kessler, S. H., Canagaratna,
M. R., Wilson, K. R., Altieri, K. E., Mazzoleni, L. R., Wozniak, A. S.,
Bluhm, H., Mysak, E. R., Smith, J. D., Kolb, C. E., and Worsnop, D. R.:
Carbon oxidation state as a metric for describing the chemistry of
atmospheric organic aerosol, Nat. Chem., 3, 133–139,
https://doi.org/10.1038/nchem.948, 2011.
Laj, P., Klausen, J., Bilde, M., Plaß-Duelmer, C., Pappalardo, G.,
Clerbaux, C., Baltensperger, U., Hjorth, J., Simpson, D., Reimann, S.,
Coheur, P. F., Richter, A., De Mazière, M., Rudich, Y., McFiggans, G.,
Torseth, K., Wiedensohler, A., Morin, S., Schulz, M., Allan, J. D.,
Attié, J. L., Barnes, I., Birmili, W., Cammas, J. P., Dommen, J., Dorn,
H. P., Fowler, D., Fuzzi, S., Glasius, M., Granier, C., Hermann, M.,
Isaksen, I. S. A., Kinne, S., Koren, I., Madonna, F., Maione, M., Massling,
A., Moehler, O., Mona, L., Monks, P. S., Müller, D., Müller, T.,
Orphal, J., Peuch, V. H., Stratmann, F., Tanré, D., Tyndall, G., Abo
Riziq, A., Van Roozendael, M., Villani, P., Wehner, B., Wex, H., and
Zardini, A. A.: Measuring atmospheric composition change, Atmos.
Environ., 43, 5351–5414, https://doi.org/10.1016/j.atmosenv.2009.08.020, 2009.
Laskin, A., Laskin, J., and Nizkorodov, S. A.: Mass spectrometric approaches
for chemical characterisation of atmospheric aerosols: critical review of
the most recent advances, Environ. Chem., 9, 163–189, https://doi.org/10.1071/en12052, 2012.
Lee, B. H., Lopez-Hilfiker, F. D., Mohr, C., Kurten, T., Worsnop, D. R., and
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., 48, 6309–6317,
https://doi.org/10.1021/es500362a, 2014.
Lee, B. H., D'Ambro, E. L., Lopez-Hilfiker, F. D., Schobesberger, S., Mohr,
C., Zawadowicz, M. A., Liu, J., Shilling, J. E., Hu, W., Palm, B. B.,
Jimenez, J. L., Hao, L., Virtanen, A., Zhang, H., Goldstein, A. H., Pye, H.
O. T., and Thornton, J. A.: Resolving ambient organic aerosol formation and
aging pathways with simultaneous molecular composition and volatility
observations, ACS Earth Space Chem., 4, 391–402,
https://doi.org/10.1021/acsearthspacechem.9b00302, 2020.
Lopez-Hilfiker, F. D., Mohr, C., Ehn, M., Rubach, F., Kleist, E., Wildt, J., Mentel, Th. F., Lutz, A., Hallquist, M., Worsnop, D., and Thornton, J. A.: A novel method for online analysis of gas and particle composition: description and evaluation of a Filter Inlet for Gases and AEROsols (FIGAERO), Atmos. Meas. Tech., 7, 983–1001, https://doi.org/10.5194/amt-7-983-2014, 2014.
Lopez-Hilfiker, F. D., Mohr, C., Ehn, M., Rubach, F., Kleist, E., Wildt, J., Mentel, Th. F., Carrasquillo, A. J., Daumit, K. E., Hunter, J. F., Kroll, J. H., Worsnop, D. R., and Thornton, J. A.: Phase partitioning and volatility of secondary organic aerosol components formed from α-pinene ozonolysis and OH oxidation: the importance of accretion products and other low volatility compounds, Atmos. Chem. Phys., 15, 7765–7776, https://doi.org/10.5194/acp-15-7765-2015, 2015.
Lopez-Hilfiker, F. D., Iyer, S., Mohr, C., Lee, B. H., D'Ambro, E. L., Kurtén, T., and Thornton, J. A.: Constraining the sensitivity of iodide adduct chemical ionization mass spectrometry to multifunctional organic molecules using the collision limit and thermodynamic stability of iodide ion adducts, Atmos. Meas. Tech., 9, 1505–1512, https://doi.org/10.5194/amt-9-1505-2016, 2016a.
Lopez-Hilfiker, F. D., Mohr, C., D'Ambro, E. L., Lutz, A., Riedel, T. P.,
Gaston, C. J., Iyer, S., Zhang, Z., Gold, A., Surratt, J. D., Lee, B. H.,
Kurten, T., Hu, W. W., Jimenez, J., Hallquist, M., and Thornton, J. A.:
Molecular Composition and Volatility of Organic Aerosol in the Southeastern
U.S.: Implications for IEPOX Derived SOA, Environ. Sci. Technol., 50,
2200–2209, https://doi.org/10.1021/acs.est.5b04769, 2016b.
Lutz, A., Mohr, C., Le Breton, M., Lopez-Hilfiker, F. D., Priestley, M.,
Thornton, J. A., and Hallquist, M.: Gas to Particle Partitioning of Organic
Acids in the Boreal Atmosphere, ACS Earth Space Chem., 3, 1279–1287,
https://doi.org/10.1021/acsearthspacechem.9b00041, 2019.
Ma, Y., Russell, A. T., and Marston, G.: Mechanisms for the formation of
secondary organic aerosol components from the gas-phase ozonolysis of
alpha-pinene, Phys. Chem. Chem. Phys., 10, 4294–4312, https://doi.org/10.1039/b803283a, 2008.
Mai, H., Shiraiwa, M., Flagan, R. C., and Seinfeld, J. H.: Under What
Conditions Can Equilibrium Gas-Particle Partitioning Be Expected to Hold in
the Atmosphere?, Environ. Sci. Technol., 49, 11485–11491,
https://doi.org/10.1021/acs.est.5b02587, 2015.
McFiggans, G., Mentel, T. F., Wildt, J., Pullinen, I., Kang, S., Kleist, E.,
Schmitt, S., Springer, M., Tillmann, R., Wu, C., Zhao, D., Hallquist, M.,
Faxon, C., Le Breton, M., Hallquist, A. M., Simpson, D., Bergstrom, R.,
Jenkin, M. E., Ehn, M., Thornton, J. A., Alfarra, M. R., Bannan, T. J.,
Percival, C. J., Priestley, M., Topping, D., and Kiendler-Scharr, A.:
Secondary organic aerosol reduced by mixture of atmospheric vapours, Nature,
565, 587–593, https://doi.org/10.1038/s41586-018-0871-y, 2019.
Mehra, A., Wang, Y., Krechmer, J. E., Lambe, A., Majluf, F., Morris, M. A., Priestley, M., Bannan, T. J., Bryant, D. J., Pereira, K. L., Hamilton, J. F., Rickard, A. R., Newland, M. J., Stark, H., Croteau, P., Jayne, J. T., Worsnop, D. R., Canagaratna, M. R., Wang, L., and Coe, H.: Evaluation of the chemical composition of gas- and particle-phase products of aromatic oxidation, Atmos. Chem. Phys., 20, 9783–9803, https://doi.org/10.5194/acp-20-9783-2020, 2020.
Mentel, T. F., Springer, M., Ehn, M., Kleist, E., Pullinen, I., Kurtén, T., Rissanen, M., Wahner, A., and Wildt, J.: Formation of highly oxidized multifunctional compounds: autoxidation of peroxy radicals formed in the ozonolysis of alkenes – deduced from structure–product relationships, Atmos. Chem. Phys., 15, 6745–6765, https://doi.org/10.5194/acp-15-6745-2015, 2015.
Mohr, C., Thornton, J. A., Heitto, A., Lopez-Hilfiker, F. D., Lutz, A.,
Riipinen, I., Hong, J., Donahue, N. M., Hallquist, M., Petaja, T., Kulmala,
M., and Yli-Juuti, T.: Molecular identification of organic vapors driving
atmospheric nanoparticle growth, Nat. Commun., 10, 4442,
https://doi.org/10.1038/s41467-019-12473-2, 2019.
Müllner, D.:. Modern hierarchical, agglomerative clustering algorithms, arXiv [preprint], arXiv:1109.2378, https://doi.org/10.48550/arXiv.1109.2378, 2011.
Mutzel, A., Poulain, L., Berndt, T., Iinuma, Y., Rodigast, M., Boge, O.,
Richters, S., Spindler, G., Sipila, M., Jokinen, T., Kulmala, M., and
Herrmann, H.: Highly Oxidized Multifunctional Organic Compounds Observed in
Tropospheric Particles: A Field and Laboratory Study, Environ. Sci. Technol.,
49, 7754–7761, https://doi.org/10.1021/acs.est.5b00885, 2015.
Mutzel, A., Zhang, Y., Böge, O., Rodigast, M., Kolodziejczyk, A., Wang, X., and Herrmann, H.: Importance of secondary organic aerosol formation of α-pinene, limonene, and m-cresol comparing day- and nighttime radical chemistry, Atmos. Chem. Phys., 21, 8479–8498, https://doi.org/10.5194/acp-21-8479-2021, 2021.
Nel, A.: Atmosphere. Air pollution-related illness: effects of particles,
Science, 308, 804–806, https://doi.org/10.1126/science.1108752, 2005.
Ng, N. L., Kroll, J. H., Keywood, M. D., Bahreini, R., Varutbangkul, V.,
Flagan, R. C., Seinfeld, J. H., Lee, A., and Goldstein, A. H.: Contribution
of first- versus second-generation products to secondary organic aerosols
formed in the oxidation of biogenic hydrocarbons, Environ. Sci. Technol., 40,
2283–2297, https://doi.org/10.1021/es052269u, 2006.
Nguyen, T. B., Bateman, A. P., Bones, D. L., Nizkorodov, S. A., Laskin, J.,
and Laskin, A.: High-resolution mass spectrometry analysis of secondary
organic aerosol generated by ozonolysis of isoprene, Atmos. Environ., 44, 1032–1042, https://doi.org/10.1016/j.atmosenv.2009.12.019, 2010.
Nielsen, F.: Introduction to HPC with MPI for Data Science, Springer,
ISBN: 978-3-319-21902-8, 2016.
Nizkorodov, S. A., Laskin, J., and Laskin, A.: Molecular chemistry of
organic aerosols through the application of high resolution mass
spectrometry, Phys. Chem. Chem. Phys., 13, 3612–3629, https://doi.org/10.1039/c0cp02032j, 2011.
O'Haver, T.: A Pragmatic Introduction to Signal Processing With applications in scientific measurement, Kindle Direct Publishing, ISBN: 9798611266687, 2021.
O'Meara, S., Booth, A. M., Barley, M. H., Topping, D., and McFiggans, G.: An
assessment of vapour pressure estimation methods, Phys. Chem. Chem. Phys., 16, 19453–19469, https://doi.org/10.1039/c4cp00857j, 2014.
Pankow, J. F.: An absorption model of the gas/aerosol partitioning involved
in the formation of secondary organic aerosol, Atmos. Environ., 28,
189–193, https://doi.org/10.1016/1352-2310(94)90094-9, 1994.
Parshintsev, J., Vaikkinen, A., Lipponen, K., Vrkoslav, V., Cvacka, J.,
Kostiainen, R., Kotiaho, T., Hartonen, K., Riekkola, M. L., and Kauppila, T.
J.: Desorption atmospheric pressure photoionization high-resolution mass
spectrometry: a complementary approach for the chemical analysis of
atmospheric aerosols, Rapid Commun. Mass Sp., 29, 1233–1241,
https://doi.org/10.1002/rcm.7219, 2015.
Pereira, K. L., Hamilton, J. F., Rickard, A. R., Bloss, W. J., Alam, M. S., Camredon, M., Muñoz, A., Vázquez, M., Borrás, E., and Ródenas, M.: Secondary organic aerosol formation and composition from the photo-oxidation of methyl chavicol (estragole), Atmos. Chem. Phys., 14, 5349–5368, https://doi.org/10.5194/acp-14-5349-2014, 2014.
Pereira, K. L., Ward, M. W., Wilkinson, J. L., Sallach, J. B., Bryant, D.
J., Dixon, W. J., Hamilton, J. F., and Lewis, A. C.: An Automated
Methodology for Non-targeted Compositional Analysis of Small Molecules in
High Complexity Environmental Matrices Using Coupled Ultra Performance
Liquid Chromatography Orbitrap Mass Spectrometry, Environ. Sci. Technol., 55,
7365–7375, https://doi.org/10.1021/acs.est.0c08208, 2021.
Perry, R. H., Cooks, R. G., and Noll, R. J.: Orbitrap mass spectrometry:
instrumentation, ion motion and applications, Mass Spectrom. Rev., 27,
661–699, https://doi.org/10.1002/mas.20186, 2008.
Priestley, M., Bannan, T. J., Le Breton, M., Worrall, S. D., Kang, S., Pullinen, I., Schmitt, S., Tillmann, R., Kleist, E., Zhao, D., Wildt, J., Garmash, O., Mehra, A., Bacak, A., Shallcross, D. E., Kiendler-Scharr, A., Hallquist, Å. M., Ehn, M., Coe, H., Percival, C. J., Hallquist, M., Mentel, T. F., and McFiggans, G.: Chemical characterisation of benzene oxidation products under high- and low-NOx conditions using chemical ionisation mass spectrometry, Atmos. Chem. Phys., 21, 3473–3490, https://doi.org/10.5194/acp-21-3473-2021, 2021.
Ren, Y., Grosselin, B., Daele, V., and Mellouki, A.: Investigation of the
reaction of ozone with isoprene, methacrolein and methyl vinyl ketone using
the HELIOS chamber, Faraday Discuss., 200, 289–311, https://doi.org/10.1039/c7fd00014f, 2017.
Reyes-Villegas, E., Bannan, T., Le Breton, M., Mehra, A., Priestley, M.,
Percival, C., Coe, H., and Allan, J. D.: Online Chemical Characterization of
Food-Cooking Organic Aerosols: Implications for Source Apportionment,
Environ. Sci. Technol., 52, 5308–5318, https://doi.org/10.1021/acs.est.7b06278, 2018.
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.
Rosati, B., Teiwes, R., Kristensen, K., Bossi, R., Skov, H., Glasius, M.,
Pedersen, H. B., and Bilde, M.: Factor analysis of chemical ionization
experiments: Numerical simulations and an experimental case study of the
ozonolysis of α-pinene using a PTR-ToF-MS, Atmos. Environ., 199, 15–31, https://doi.org/10.1016/j.atmosenv.2018.11.012, 2019.
Samy, S. and Hays, M. D.: Quantitative LC–MS for water-soluble heterocyclic
amines in fine aerosols (PM2.5) at Duke Forest, USA, Atmos. Environ., 72, 77–80, https://doi.org/10.1016/j.atmosenv.2013.02.032, 2013.
Sánchez-López, J. A., Zimmermann, R., and Yeretzian, C.: Insight
into the Time-Resolved Extraction of Aroma Compounds during Espresso Coffee
Preparation: Online Monitoring by PTR-ToF-MS, Anal. Chem., 86, 11696–11704, https://doi.org/10.1021/ac502992k, 2014.
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.
Shao, Y., Wang, Y., Du, M., Voliotis, A., Alfarra, M. R., O'Meara, S. P., Turner, S. F., and McFiggans, G.: Characterisation of the Manchester Aerosol Chamber facility, Atmos. Meas. Tech., 15, 539–559, https://doi.org/10.5194/amt-15-539-2022, 2022.
Stark, H., Yatavelli, R. L. N., Thompson, S. L., Kimmel, J. R., Cubison, M.
J., Chhabra, P. S., Canagaratna, M. R., Jayne, J. T., Worsnop, D. R., and
Jimenez, J. L.: Methods to extract molecular and bulk chemical information
from series of complex mass spectra with limited mass resolution,
Int. J. Mass Spectrom., 389, 26–38, https://doi.org/10.1016/j.ijms.2015.08.011, 2015.
Stark, H., Yatavelli, R. L. N., Thompson, S. L., Kang, H., Krechmer, J. E.,
Kimmel, J. R., Palm, B. B., Hu, W., Hayes, P. L., Day, D. A.,
Campuzano-Jost, P., Canagaratna, M. R., Jayne, J. T., Worsnop, D. R., and
Jimenez, J. L.: Impact of Thermal Decomposition on Thermal Desorption
Instruments: Advantage of Thermogram Analysis for Quantifying Volatility
Distributions of Organic Species, Environ. Sci. Technol., 51, 8491–8500,
https://doi.org/10.1021/acs.est.7b00160, 2017.
Thornton, J. A., Mohr, C., Schobesberger, S., D'Ambro, E. L., Lee, B. H.,
and Lopez-Hilfiker, F. D.: Evaluating Organic Aerosol Sources and Evolution
with a Combined Molecular Composition and Volatility Framework Using the
Filter Inlet for Gases and Aerosols (FIGAERO), Acc. Chem. Res., 53, 1415–1426, https://doi.org/10.1021/acs.accounts.0c00259, 2020.
Topping, D., Barley, M., Bane, M. K., Higham, N., Aumont, B., Dingle, N., and McFiggans, G.: UManSysProp v1.0: an online and open-source facility for molecular property prediction and atmospheric aerosol calculations, Geosci. Model Dev., 9, 899–914, https://doi.org/10.5194/gmd-9-899-2016, 2016.
Voliotis, A., Wang, Y., Shao, Y., Du, M., Bannan, T. J., Percival, C. J., Pandis, S. N., Alfarra, M. R., and McFiggans, G.: Exploring the composition and volatility of secondary organic aerosols in mixed anthropogenic and biogenic precursor systems, Atmos. Chem. Phys., 21, 14251–14273, https://doi.org/10.5194/acp-21-14251-2021, 2021.
Voliotis, A., Du, M., Wang, Y., Shao, Y., Alfarra, M. R., Bannan, T. J., Hu, D., Pereira, K. L., Hamilton, J. F., Hallquist, M., Mentel, T. F., and McFiggans, G.: Chamber investigation of the formation and transformation of secondary organic aerosol in mixtures of biogenic and anthropogenic volatile organic compounds, Atmos. Chem. Phys. Discuss. [preprint], https://doi.org/10.5194/acp-2021-1080, in review, 2022.
Wang, D. S. and Hildebrandt Ruiz, L.: Chlorine-initiated oxidation of n-alkanes under high-NOx conditions: insights into secondary organic aerosol composition and volatility using a FIGAERO–CIMS, Atmos. Chem. Phys., 18, 15535–15553, https://doi.org/10.5194/acp-18-15535-2018, 2018.
Wang, J., Doussin, J. F., Perrier, S., Perraudin, E., Katrib, Y., Pangui, E., and Picquet-Varrault, B.: Design of a new multi-phase experimental simulation chamber for atmospheric photosmog, aerosol and cloud chemistry research, Atmos. Meas. Tech., 4, 2465–2494, https://doi.org/10.5194/amt-4-2465-2011, 2011.
Winterhalter, R., Van Dingenen, R., Larsen, B. R., Jensen, N. R., and Hjorth, J.: LC-MS analysis of aerosol particles from the oxidation of α-pinene by ozone and OH-radicals, Atmos. Chem. Phys. Discuss., 3, 1–39, https://doi.org/10.5194/acpd-3-1-2003, 2003.
Xu, L., Middlebrook, A. M., Liao, J., de Gouw, J. A., Guo, H., Weber, R. J.,
Nenes, A., Lopez-Hilfiker, F. D., Lee, B. H., Thornton, J. A., Brock, C. A.,
Neuman, J. A., Nowak, J. B., Pollack, I. B., Welti, A., Graus, M., Warneke,
C., and Ng, N. L.: Enhanced formation of isoprene-derived organic aerosol in
sulfur-rich power plant plumes during Southeast Nexus, J. Geophys. Res.-Atmos., 121, 11137–111153, https://doi.org/10.1002/2016jd025156, 2016.
Yasmeen, F., Szmigielski, R., Vermeylen, R., Gomez-Gonzalez, Y., Surratt, J.
D., Chan, A. W., Seinfeld, J. H., Maenhaut, W., and Claeys, M.: Mass
spectrometric characterization of isomeric terpenoic acids from the
oxidation of α-pinene, β-pinene, d-limonene, and Δ3-carene in fine forest aerosol, J. Mass. Spectrom., 46, 425-442, https://doi.org/10.1002/jms.1911, 2011.
Yli-Juuti, T., Pajunoja, A., Tikkanen, O. P., Buchholz, A., Faiola, C.,
Vaisanen, O., Hao, L., Kari, E., Perakyla, O., Garmash, O., Shiraiwa, M.,
Ehn, M., Lehtinen, K., and Virtanen, A.: Factors controlling the evaporation
of secondary organic aerosol from alpha-pinene ozonolysis, Geophys. Res. Lett., 44, 2562–2570, https://doi.org/10.1002/2016GL072364, 2017.
Zhang, H., Yee, L. D., Lee, B. H., Curtis, M. P., Worton, D. R.,
Isaacman-VanWertz, G., Offenberg, J. H., Lewandowski, M., Kleindienst, T.
E., Beaver, M. R., Holder, A. L., Lonneman, W. A., Docherty, K. S., Jaoui,
M., Pye, H. O. T., Hu, W., Day, D. A., Campuzano-Jost, P., Jimenez, J. L.,
Guo, H., Weber, R. J., de Gouw, J., Koss, A. R., Edgerton, E. S., Brune, W.,
Mohr, C., Lopez-Hilfiker, F. D., Lutz, A., Kreisberg, N. M., Spielman, S.
R., Hering, S. V., Wilson, K. R., Thornton, J. A., and Goldstein, A. H.:
Monoterpenes are the largest source of summertime organic aerosol in the
southeastern United States, P. Natl. Acad. Sci. USA, 115, 2038–2043,
https://doi.org/10.1073/pnas.1717513115, 2018.
Zhang, X., McVay, R. C., Huang, D. D., Dalleska, N. F., Aumont, B., Flagan,
R. C., and Seinfeld, J. H.: Formation and evolution of molecular products in
alpha-pinene secondary organic aerosol, P. Natl. Acad. Sci. USA, 112,
14168–14173, https://doi.org/10.1073/pnas.1517742112, 2015.
Download
- Article
(3503 KB) - Full-text XML
Short summary
Atmospheric chemistry plays a key role in the understanding of aerosol formation and air pollution. We designed chamber experiments for the characterization of secondary organic aerosol (SOA) from a biogenic precursor with inorganic seed. Our results highlight the advantages of a combination of online FIGAERO-CIMS and offline LC-Orbitrap MS analytical techniques to characterize the chemical composition of SOA in chamber studies.
Atmospheric chemistry plays a key role in the understanding of aerosol formation and air...
