Articles | Volume 22, issue 3
https://doi.org/10.5194/acp-22-1761-2022
© 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/acp-22-1761-2022
© Author(s) 2022. This work is distributed under
the Creative Commons Attribution 4.0 License.
the Creative Commons Attribution 4.0 License.
Research article
| 
04 Feb 2022
Research article |
| 04 Feb 2022
| 04 Feb 2022
NO3 chemistry of wildfire emissions: a kinetic study of the gas-phase reactions of furans with the NO3 radical
Mike J. Newland
CORRESPONDING AUTHOR
ICARE-CNRS, 1C, avenue de la Recherche Scientifique, 45071 Orléans CEDEX 2,
France
Yangang Ren
ICARE-CNRS, 1C, avenue de la Recherche Scientifique, 45071 Orléans CEDEX 2,
France
now at: Research Center for Eco-Environmental Sciences, Chinese Academy of Sciences, Beijing 100085, China
now at: University of Chinese Academy of Sciences, Beijing 100049, China
Max R. McGillen
ICARE-CNRS, 1C, avenue de la Recherche Scientifique, 45071 Orléans CEDEX 2,
France
Lisa Michelat
ICARE-CNRS, 1C, avenue de la Recherche Scientifique, 45071 Orléans CEDEX 2,
France
Véronique Daële
ICARE-CNRS, 1C, avenue de la Recherche Scientifique, 45071 Orléans CEDEX 2,
France
Abdelwahid Mellouki
CORRESPONDING AUTHOR
ICARE-CNRS, 1C, avenue de la Recherche Scientifique, 45071 Orléans CEDEX 2,
France
Related authors
No articles found.
Barbara Ervens, Andrew Rickard, Bernard Aumont, William P. L. Carter, Max McGillen, Abdelwahid Mellouki, John Orlando, Bénédicte Picquet-Varrault, Paul Seakins, William R. Stockwell, Luc Vereecken, and Timothy J. Wallington
Atmos. Chem. Phys., 24, 13317–13339, https://doi.org/10.5194/acp-24-13317-2024, https://doi.org/10.5194/acp-24-13317-2024, 2024
Short summary
Short summary
Chemical mechanisms describe the chemical processes in atmospheric models that are used to describe the changes in the atmospheric composition. Therefore, accurate chemical mechanisms are necessary to predict the evolution of air pollution and climate change. The article describes all steps that are needed to build chemical mechanisms and discusses the advances and needs of experimental and theoretical research activities needed to build reliable chemical mechanisms.
Simone T. Andersen, Rolf Sander, Patrick Dewald, Laura Wüst, Tobias Seubert, Gunther N. T. E. Türk, Jan Schuladen, Max R. McGillen, Chaoyang Xue, Abdelwahid Mellouki, Alexandre Kukui, Vincent Michoud, Manuela Cirtog, Mathieu Cazaunau, Astrid Bauville, Hichem Bouzidi, Paola Formenti, Cyrielle Denjean, Jean-Claude Etienne, Olivier Garrouste, Christopher Cantrell, Jos Lelieveld, and John N. Crowley
EGUsphere, https://doi.org/10.5194/egusphere-2024-3437, https://doi.org/10.5194/egusphere-2024-3437, 2024
This preprint is open for discussion and under review for Atmospheric Chemistry and Physics (ACP).
Short summary
Short summary
Measurements and modelling of reactive nitrogen gases observed in a suburban temperate forest in Rambouillet, France circa 50 km southwest of Paris in 2022 indicate that the biosphere rapidly scavenges organic nitrates of mixed biogenic and anthropogenic origin, resulting in short lifetimes for e.g. alkyl nitrates and peroxy nitrates.
Simone T. Andersen, Max R. McGillen, Chaoyang Xue, Tobias Seubert, Patrick Dewald, Gunther N. T. E. Türk, Jan Schuladen, Cyrielle Denjean, Jean-Claude Etienne, Olivier Garrouste, Marina Jamar, Sergio Harb, Manuela Cirtog, Vincent Michoud, Mathieu Cazaunau, Antonin Bergé, Christopher Cantrell, Sebastien Dusanter, Bénédicte Picquet-Varrault, Alexandre Kukui, Abdelwahid Mellouki, Lucy J. Carpenter, Jos Lelieveld, and John N. Crowley
Atmos. Chem. Phys., 24, 11603–11618, https://doi.org/10.5194/acp-24-11603-2024, https://doi.org/10.5194/acp-24-11603-2024, 2024
Short summary
Short summary
Using measurements of various trace gases in a suburban forest near Paris in the summer of 2022, we were able to gain insight into the sources and sinks of NOx (NO+NO2) with a special focus on their nighttime chemical and physical loss processes. NO was observed as a result of nighttime soil emissions when O3 levels were strongly depleted by deposition. NO oxidation products were not observed at night, indicating that soil and/or foliar surfaces are an efficient sink of reactive N.
Patrick Dewald, Tobias Seubert, Simone T. Andersen, Gunther N. T. E. Türk, Jan Schuladen, Max R. McGillen, Cyrielle Denjean, Jean-Claude Etienne, Olivier Garrouste, Marina Jamar, Sergio Harb, Manuela Cirtog, Vincent Michoud, Mathieu Cazaunau, Antonin Bergé, Christopher Cantrell, Sebastien Dusanter, Bénédicte Picquet-Varrault, Alexandre Kukui, Chaoyang Xue, Abdelwahid Mellouki, Jos Lelieveld, and John N. Crowley
Atmos. Chem. Phys., 24, 8983–8997, https://doi.org/10.5194/acp-24-8983-2024, https://doi.org/10.5194/acp-24-8983-2024, 2024
Short summary
Short summary
In the scope of a field campaign in a suburban forest near Paris in the summer of 2022, we measured the reactivity of the nitrate radical NO3 towards biogenic volatile organic compounds (BVOCs; e.g. monoterpenes) mainly below but also above the canopy. NO3 reactivity was the highest during nights with strong temperature inversions and decreased strongly with height. Reactions with BVOCs were the main removal process of NO3 throughout the diel cycle below the canopy.
Chaoyang Xue, Can Ye, Jörg Kleffmann, Chenglong Zhang, Valéry Catoire, Fengxia Bao, Abdelwahid Mellouki, Likun Xue, Jianmin Chen, Keding Lu, Yong Zhao, Hengde Liu, Zhaoxin Guo, and Yujing Mu
Atmos. Chem. Phys., 22, 3149–3167, https://doi.org/10.5194/acp-22-3149-2022, https://doi.org/10.5194/acp-22-3149-2022, 2022
Short summary
Short summary
Summertime measurements of nitrous acid (HONO) and related parameters were conducted at the foot and the summit of Mt. Tai (1534 m above sea level). We proposed a rapid vertical air mass exchange between the foot and the summit level, which enhances the role of HONO in the oxidizing capacity of the upper boundary layer. Kinetics for aerosol-derived HONO sources were constrained. HONO formation from different paths was quantified and discussed.
Chaoyang Xue, Can Ye, Jörg Kleffmann, Wenjin Zhang, Xiaowei He, Pengfei Liu, Chenglong Zhang, Xiaoxi Zhao, Chengtang Liu, Zhuobiao Ma, Junfeng Liu, Jinhe Wang, Keding Lu, Valéry Catoire, Abdelwahid Mellouki, and Yujing Mu
Atmos. Chem. Phys., 22, 1035–1057, https://doi.org/10.5194/acp-22-1035-2022, https://doi.org/10.5194/acp-22-1035-2022, 2022
Short summary
Short summary
Nitrous acid (HONO) and related parameters were measured at the foot and the summit of Mt. Tai in the summer of 2018. Based on measurements at the foot station, we utilized a box model to explore the roles of different sources in the HONO budget. We also studied radical chemistry in this high-ozone region.
Yangang Ren, Li Zhou, Abdelwahid Mellouki, Véronique Daële, Mahmoud Idir, Steven S. Brown, Branko Ruscic, Robert S. Paton, Max R. McGillen, and A. R. Ravishankara
Atmos. Chem. Phys., 21, 13537–13551, https://doi.org/10.5194/acp-21-13537-2021, https://doi.org/10.5194/acp-21-13537-2021, 2021
Short summary
Short summary
Aromatic aldehydes are a family of compounds emitted into the atmosphere from both anthropogenic and biogenic sources that are formed from the degradation of aromatic hydrocarbons. Their atmospheric degradation may impact air quality. We report on their atmospheric degradation through reaction with NO3, which is useful to estimate their atmospheric lifetimes. We have also attempted to elucidate the mechanism of these reactions via studies of isotopic substitution and quantum chemistry.
Abdelwahid Mellouki, Markus Ammann, R. Anthony Cox, John N. Crowley, Hartmut Herrmann, Michael E. Jenkin, V. Faye McNeill, Jürgen Troe, and Timothy J. Wallington
Atmos. Chem. Phys., 21, 4797–4808, https://doi.org/10.5194/acp-21-4797-2021, https://doi.org/10.5194/acp-21-4797-2021, 2021
Short summary
Short summary
Volatile organic compounds play an important role in atmospheric chemistry. This article, the eighth in the series, presents kinetic and photochemical data sheets evaluated by the IUPAC Task Group on Atmospheric Chemical Kinetic Data Evaluation. It covers the gas-phase reactions of organic species with four, or more, carbon atoms (≥ C4) including thermal reactions of closed-shell organic species with HO and NO3 radicals and their photolysis. These data are important for atmospheric models.
R. Anthony Cox, Markus Ammann, John N. Crowley, Hartmut Herrmann, Michael E. Jenkin, V. Faye McNeill, Abdelwahid Mellouki, Jürgen Troe, and Timothy J. Wallington
Atmos. Chem. Phys., 20, 13497–13519, https://doi.org/10.5194/acp-20-13497-2020, https://doi.org/10.5194/acp-20-13497-2020, 2020
Short summary
Short summary
Criegee intermediates, formed from alkene–ozone reactions, play a potentially important role as tropospheric oxidants. Evaluated kinetic data are provided for reactions governing their formation and removal for use in atmospheric models. These include their formation from reactions of simple and complex alkenes and removal by decomposition and reaction with a number of atmospheric species (e.g. H2O, SO2). An overview of the tropospheric chemistry of Criegee intermediates is also provided.
Yangang Ren, Bastian Stieger, Gerald Spindler, Benoit Grosselin, Abdelwahid Mellouki, Thomas Tuch, Alfred Wiedensohler, and Hartmut Herrmann
Atmos. Chem. Phys., 20, 13069–13089, https://doi.org/10.5194/acp-20-13069-2020, https://doi.org/10.5194/acp-20-13069-2020, 2020
Short summary
Short summary
We present HONO measurements from the TROPOS research site in Melpitz, Germany. Investigations of HONO sources and sinks revealed the nighttime formation by heterogeneous conversion of NO2 to HONO followed by a significant surface deposition at night. The evaporation of dew was identified as the main HONO source in the morning. In the following, dew measurements with a self-made dew collector were performed to estimate the amount of evaporated HONO from dew in the atmospheric HONO distribution.
Manuela van Pinxteren, Khanneh Wadinga Fomba, Nadja Triesch, Christian Stolle, Oliver Wurl, Enno Bahlmann, Xianda Gong, Jens Voigtländer, Heike Wex, Tiera-Brandy Robinson, Stefan Barthel, Sebastian Zeppenfeld, Erik Hans Hoffmann, Marie Roveretto, Chunlin Li, Benoit Grosselin, Veronique Daële, Fabian Senf, Dominik van Pinxteren, Malena Manzi, Nicolás Zabalegui, Sanja Frka, Blaženka Gašparović, Ryan Pereira, Tao Li, Liang Wen, Jiarong Li, Chao Zhu, Hui Chen, Jianmin Chen, Björn Fiedler, Wolf von Tümpling, Katie Alana Read, Shalini Punjabi, Alastair Charles Lewis, James Roland Hopkins, Lucy Jane Carpenter, Ilka Peeken, Tim Rixen, Detlef Schulz-Bull, María Eugenia Monge, Abdelwahid Mellouki, Christian George, Frank Stratmann, and Hartmut Herrmann
Atmos. Chem. Phys., 20, 6921–6951, https://doi.org/10.5194/acp-20-6921-2020, https://doi.org/10.5194/acp-20-6921-2020, 2020
Short summary
Short summary
An introduction to a comprehensive field campaign performed at the Cape Verde Atmospheric Observatory regarding ocean–atmosphere interactions is given. Chemical, physical, biological and meteorological techniques were applied, and measurements of bulk water, the sea surface microlayer, cloud water and ambient aerosol particles took place. Oceanic compounds were found to be transferred to atmospheric aerosol and to the cloud level; however, sea spray contributions to CCN and INPs were limited.
Zhong Li, Chunlin Li, Xingnan Ye, Hongbo Fu, Lin Wang, Xin Yang, Xinke Wang, Zhuohui Zhao, Haidong Kan, Abdelwahid Mellouki, and Jianmin Chen
Atmos. Chem. Phys., 18, 14445–14464, https://doi.org/10.5194/acp-18-14445-2018, https://doi.org/10.5194/acp-18-14445-2018, 2018
Short summary
Short summary
Air quality over the Yangtze River is important as it may significantly influence aquatic ecosystems, public health, and coastal areas. A comprehensive 15-day cruise campaign, TEMP, was performed in the mid–lower reaches of the Yangtze River in winter of 2015. Based on the filter samples, the chemical composition of PM2.5 greatly varied or fluctuated.
Ganglin Lv, Xiao Sui, Jianmin Chen, Rohan Jayaratne, and Abdelwahid Mellouki
Atmos. Chem. Phys., 18, 2243–2258, https://doi.org/10.5194/acp-18-2243-2018, https://doi.org/10.5194/acp-18-2243-2018, 2018
Short summary
Short summary
We conducted an investigation of new particle formation (NPF) at the summit of Mt. Tai, eastern China, based on simultaneous measurements of particle size distribution, meteorological parameters, gaseous species, mass concentration, and chemical composition of PM2.5. The general characteristics, favorable conditions, and potential precursor species of NPF events are discussed. An in-depth study of NPF on Mt. Tai is important for understanding the effect of particles on air quality.
Caihong Xu, Min Wei, Jianmin Chen, Chao Zhu, Jiarong Li, Ganglin Lv, Xianmang Xu, Lulu Zheng, Guodong Sui, Weijun Li, Bing Chen, Wenxing Wang, Qingzhu Zhang, Aijun Ding, and Abdelwahid Mellouki
Atmos. Chem. Phys., 17, 11247–11260, https://doi.org/10.5194/acp-17-11247-2017, https://doi.org/10.5194/acp-17-11247-2017, 2017
Short summary
Short summary
Fungi are ubiquitous throughout the near-surface atmosphere, where they represent an important component of primary biological aerosol particles. The diversity and composition of the fungal communities varied over the different seasons between the fine (PM2.5) and submicron (PM1) particles at the summit of Mt. Tai located in the North China Plain, China. This work may serve as an important reference for the fungal contribution to primary biological aerosol particles.
Sebastian Laufs, Mathieu Cazaunau, Patrick Stella, Ralf Kurtenbach, Pierre Cellier, Abdelwahid Mellouki, Benjamin Loubet, and Jörg Kleffmann
Atmos. Chem. Phys., 17, 6907–6923, https://doi.org/10.5194/acp-17-6907-2017, https://doi.org/10.5194/acp-17-6907-2017, 2017
Short summary
Short summary
Sources of nitrous acid (HONO), a major precursor of the OH radical, are still under controversial discussion. Since mainly ground surface sources have been proposed, HONO fluxes were measured above an agricultural field. Positive daytime fluxes were observed which showed strong correlation with the product of the NO2 concentration and J(NO2). These results indicate HONO formation by photosensitized heterogeneous conversion of NO2 on soil surfaces as observed in recent laboratory studies.
Chunlin Li, Yunjie Hu, Fei Zhang, Jianmin Chen, Zhen Ma, Xingnan Ye, Xin Yang, Lin Wang, Xingfu Tang, Renhe Zhang, Mu Mu, Guihua Wang, Haidong Kan, Xinming Wang, and Abdelwahid Mellouki
Atmos. Chem. Phys., 17, 4957–4988, https://doi.org/10.5194/acp-17-4957-2017, https://doi.org/10.5194/acp-17-4957-2017, 2017
Short summary
Short summary
Detailed emission factors for smoke particulate species in PM2.5 and PM1.0 were derived from laboratory simulation of crop straw burning using aerosol chamber systems. Based on this, emissions for crop residue field burning in China were calculated and characterized with respect to five different burning scenarios. Moreover, health effects and health-related economic loss from smoke particle exposure were assessed; a practical emission control policy for agricultural field burning was proposed.
Likun Xue, Rongrong Gu, Tao Wang, Xinfeng Wang, Sandra Saunders, Donald Blake, Peter K. K. Louie, Connie W. Y. Luk, Isobel Simpson, Zheng Xu, Zhe Wang, Yuan Gao, Shuncheng Lee, Abdelwahid Mellouki, and Wenxing Wang
Atmos. Chem. Phys., 16, 9891–9903, https://doi.org/10.5194/acp-16-9891-2016, https://doi.org/10.5194/acp-16-9891-2016, 2016
Short summary
Short summary
The chemical budgets and principal sources of ROx and NO3 radicals during a multi-day photochemical smog episode in Hong Kong are elucidated by an observation-constrained MCM model. NO3 was shown to be an important oxidant even during daytime in a pollution case when high aerosol loading attenuated the solar irradiation. This study suggests the potential important role of daytime NO3 chemistry in polluted atmospheres under conditions with the co-existence of abundant O3, NO2, VOCs, and aerosols.
Wei Deng, Qihou Hu, Tengyu Liu, Xinming Wang, Yanli Zhang, Xiang Ding, Yele Sun, Xinhui Bi, Jianzhen Yu, Weiqiang Yang, Xinyu Huang, Zhou Zhang, Zhonghui Huang, Quanfu He, A. Mellouki, and Christian George
Atmos. Chem. Phys. Discuss., https://doi.org/10.5194/acp-2016-50, https://doi.org/10.5194/acp-2016-50, 2016
Revised manuscript not accepted
M. Ammann, R. A. Cox, J. N. Crowley, M. E. Jenkin, A. Mellouki, M. J. Rossi, J. Troe, and T. J. Wallington
Atmos. Chem. Phys., 13, 8045–8228, https://doi.org/10.5194/acp-13-8045-2013, https://doi.org/10.5194/acp-13-8045-2013, 2013
Related subject area
Subject: Gases | Research Activity: Laboratory Studies | Altitude Range: Troposphere | Science Focus: Chemistry (chemical composition and reactions)
Exploring HONO production from particulate nitrate photolysis in representative regions of China: characteristics, influencing factors, and environmental implications
Formation of reactive nitrogen species promoted by iron ions through the photochemistry of a neonicotinoid insecticide
Rate coefficients for the reactions of OH radicals with C3–C11 alkanes determined by the relative-rate technique
Formation and temperature dependence of highly oxygenated organic molecules (HOMs) from Δ3-carene ozonolysis
Mechanistic insight into the kinetic fragmentation of norpinonic acid in the gas phase: an experimental and density functional theory (DFT) study
Temperature-dependent rate coefficients for the reaction of OH radicals with selected alkanes, aromatic compounds and monoterpenes
Secondary reactions of aromatics-derived oxygenated organic molecules lead to plentiful highly oxygenated organic molecules within an intraday OH exposure
Impact of HO2∕RO2 ratio on highly oxygenated α-pinene photooxidation products and secondary organic aerosol formation potential
Negligible temperature dependence of the ozone–iodide reaction and implications for oceanic emissions of iodine
Extension, development, and evaluation of the representation of the OH-initiated dimethyl sulfide (DMS) oxidation mechanism in the Master Chemical Mechanism (MCM) v3.3.1 framework
On the potential use of highly oxygenated organic molecules (HOMs) as indicators for ozone formation sensitivity
Oxygenated organic molecules produced by low-NOx photooxidation of aromatic compounds: contributions to secondary organic aerosol and steric hindrance
Impact of temperature on the role of Criegee intermediates and peroxy radicals in dimer formation from β-pinene ozonolysis
Atmospheric impact of 2-methylpentanal emissions: kinetics, photochemistry, and formation of secondary pollutants
Quantifying primary oxidation products in the OH-initiated reaction of benzyl alcohol
Technical note: Gas-phase nitrate radical generation via irradiation of aerated ceric ammonium nitrate mixtures
Direct probing of acylperoxy radicals during ozonolysis of α-pinene: constraints on radical chemistry and production of highly oxygenated organic molecules
Atmospheric photooxidation and ozonolysis of sabinene: reaction rate coefficients, product yields, and chemical budget of radicals
Compilation of Henry's law constants (version 5.0.0) for water as solvent
Measurement report: Carbonyl sulfide production during dimethyl sulfide oxidation in the atmospheric simulation chamber SAPHIR
An aldehyde as a rapid source of secondary aerosol precursors: theoretical and experimental study of hexanal autoxidation
Measuring and modeling investigation of the net photochemical ozone production rate via an improved dual-channel reaction chamber technique
Evolution of organic carbon in the laboratory oxidation of biomass-burning emissions
Atmospheric oxidation of new “green” solvents – Part 2: methyl pivalate and pinacolone
On the formation of highly oxidized pollutants by autoxidation of terpenes under low-temperature-combustion conditions: the case of limonene and α-pinene
Selective deuteration as a tool for resolving autoxidation mechanisms in α-pinene ozonolysis
Comparison of isoprene chemical mechanisms under atmospheric night-time conditions in chamber experiments: evidence of hydroperoxy aldehydes and epoxy products from NO3 oxidation
Measurement of Henry's law and liquid-phase loss rate constants of peroxypropionic nitric anhydride (PPN) in deionized water and in n-octanol
Product distribution, kinetics, and aerosol formation from the OH oxidation of dimethyl sulfide under different RO2 regimes
Atmospheric breakdown chemistry of the new “green” solvent 2,2,5,5-tetramethyloxolane via gas-phase reactions with OH and Cl radicals
Impact of cooking style and oil on semi-volatile and intermediate volatility organic compound emissions from Chinese domestic cooking
Observations of gas-phase products from the nitrate-radical-initiated oxidation of four monoterpenes
Investigation of the limonene photooxidation by OH at different NO concentrations in the atmospheric simulation chamber SAPHIR (Simulation of Atmospheric PHotochemistry In a large Reaction Chamber)
Kinetic study of the atmospheric oxidation of a series of epoxy compounds by OH radicals
An experimental study of the reactivity of terpinolene and β-caryophyllene with the nitrate radical
Oxidation product characterization from ozonolysis of the diterpene ent-kaurene
Kinetics of OH + SO2 + M: temperature-dependent rate coefficients in the fall-off regime and the influence of water vapour
Formation of organic sulfur compounds through SO2-initiated photochemistry of PAHs and dimethylsulfoxide at the air-water interface
Stable carbon isotopic composition of biomass burning emissions – implications for estimating the contribution of C3 and C4 plants
Evaluation of the daytime tropospheric loss of 2-methylbutanal
Investigations into the gas-phase photolysis and OH radical kinetics of nitrocatechols: implications of intramolecular interactions on their atmospheric behaviour
Reproducing Arctic springtime tropospheric ozone and mercury depletion events in an outdoor mesocosm sea ice facility
N2O5 uptake onto saline mineral dust: a potential missing source of tropospheric ClNO2 in inland China
Marine gas-phase sulfur emissions during an induced phytoplankton bloom
Biomass burning plume chemistry: OH-radical-initiated oxidation of 3-penten-2-one and its main oxidation product 2-hydroxypropanal
Atmospheric photo-oxidation of myrcene: OH reaction rate constant, gas-phase oxidation products and radical budgets
Characterization of ambient volatile organic compounds, source apportionment, and the ozone–NOx–VOC sensitivities in a heavily polluted megacity of central China: effect of sporting events and emission reductions
Atmospheric oxidation of α,β-unsaturated ketones: kinetics and mechanism of the OH radical reaction
Reactions of NO3 with aromatic aldehydes: gas-phase kinetics and insights into the mechanism of the reaction
Atmospheric photooxidation and ozonolysis of Δ3-carene and 3-caronaldehyde: rate constants and product yields
Bowen Li, Jian Gao, Chun Chen, Liang Wen, Yuechong Zhang, Junling Li, Yuzhe Zhang, Xiaohui Du, Kai Zhang, and Jiaqi Wang
Atmos. Chem. Phys., 24, 13183–13198, https://doi.org/10.5194/acp-24-13183-2024, https://doi.org/10.5194/acp-24-13183-2024, 2024
Short summary
Short summary
The photolysis rate constant of particulate nitrate for HONO production (JNO3−–HONO), derived from PM2.5 samples collected at five representative sites in China, exhibited a wide range of variation. A parameterization equation relating JNO3−–HONO to OC/NO3− has been established and can be used to estimate JNO3−–HONO in different environments. Our work provides an important reference for research in other regions of the world where aerosol samples have a high proportion of organic components.
Zhu Ran, Yanan Hu, Yuanzhe Li, Xiaoya Gao, Can Ye, Shuai Li, Xiao Lu, Yongming Luo, Sasho Gligorovski, and Jiangping Liu
Atmos. Chem. Phys., 24, 11943–11954, https://doi.org/10.5194/acp-24-11943-2024, https://doi.org/10.5194/acp-24-11943-2024, 2024
Short summary
Short summary
We report enhanced formation of nitrous acid (HONO) and NOx (NO + NO2) triggered by iron ions during photolysis of neonicotinoid insecticides at the air–water interface. This novel previously overlooked source of atmospheric HONO and NOx may be an important contribution to the global nitrogen cycle and affects atmospheric oxidizing capacity and climate change.
Yanyan Xin, Chengtang Liu, Xiaoxiu Lun, Shuyang Xie, Junfeng Liu, and Yujing Mu
Atmos. Chem. Phys., 24, 11409–11429, https://doi.org/10.5194/acp-24-11409-2024, https://doi.org/10.5194/acp-24-11409-2024, 2024
Short summary
Short summary
Rate coefficients for the reactions of OH radicals with C3–C11 alkanes were determined using the multivariate relative-rate technique. A total of 25 relative-rate coefficients at room temperature and 24 Arrhenius expressions in the temperature range of 273–323 K were obtained, which expanded the data available.
Yuanyuan Luo, Ditte Thomsen, Emil Mark Iversen, Pontus Roldin, Jane Tygesen Skønager, Linjie Li, Michael Priestley, Henrik B. Pedersen, Mattias Hallquist, Merete Bilde, Marianne Glasius, and Mikael Ehn
Atmos. Chem. Phys., 24, 9459–9473, https://doi.org/10.5194/acp-24-9459-2024, https://doi.org/10.5194/acp-24-9459-2024, 2024
Short summary
Short summary
∆3-carene is abundantly emitted from vegetation, but its atmospheric oxidation chemistry has received limited attention. We explored highly oxygenated organic molecule (HOM) formation from ∆3-carene ozonolysis in chambers and investigated the impact of temperature and relative humidity on HOM formation. Our findings provide new insights into ∆3-carene oxidation pathways and their potential to impact atmospheric aerosols.
Izabela Kurzydym, Agata Błaziak, Kinga Podgórniak, Karol Kułacz, and Kacper Błaziak
Atmos. Chem. Phys., 24, 9309–9322, https://doi.org/10.5194/acp-24-9309-2024, https://doi.org/10.5194/acp-24-9309-2024, 2024
Short summary
Short summary
This paper outlines a unique scientific strategy for studying the reactivity of atmospherically relevant norpinonic acid (NA). The publication offers a new toolbox, illustrating NA's fragmentation and pattern of kinetic degradation leading to the formation of new small molecules. Furthermore, the research strategy presented here demonstrates how a mass spectrometer can function as a gas-phase reactor and the quantum chemistry method can serve as a reaction model builder.
Florian Berg, Anna Novelli, René Dubus, Andreas Hofzumahaus, Frank Holland, Andreas Wahner, and Hendrik Fuchs
EGUsphere, https://doi.org/10.5194/egusphere-2024-2614, https://doi.org/10.5194/egusphere-2024-2614, 2024
Short summary
Short summary
This study reports temperature dependent reaction rate constants of the reaction of atmospherically relevant hydrocarbons from biogenic sources (MVK, monoterpenes) and anthropogenic sources (alkanes, aromatics). Measurements were done at atmospheric conditions (ambient pressure, temperature range) in air.
Yuwei Wang, Chuang Li, Ying Zhang, Yueyang Li, Gan Yang, Xueyan Yang, Yizhen Wu, Lei Yao, Hefeng Zhang, and Lin Wang
Atmos. Chem. Phys., 24, 7961–7981, https://doi.org/10.5194/acp-24-7961-2024, https://doi.org/10.5194/acp-24-7961-2024, 2024
Short summary
Short summary
The formation and evolution mechanisms of aromatics-derived highly oxygenated organic molecules (HOMs) are essential to understand the formation of secondary organic aerosol pollution. Our conclusion highlights an underappreciated formation pathway of aromatics-derived HOMs and elucidates detailed formation mechanisms of certain HOMs, which advances our understanding of HOMs and potentially explains the existing gap between model prediction and ambient measurement of the HOMs' concentrations.
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.
Lucy V. Brown, Ryan J. Pound, Lyndsay S. Ives, Matthew R. Jones, Stephen J. Andrews, and Lucy J. Carpenter
Atmos. Chem. Phys., 24, 3905–3923, https://doi.org/10.5194/acp-24-3905-2024, https://doi.org/10.5194/acp-24-3905-2024, 2024
Short summary
Short summary
Ozone is deposited from the lower atmosphere to the surface of the ocean; however, the chemical reactions which drive this deposition are currently not well understood. Of particular importance is the reaction between ozone and iodide, and this work measures the kinetics of this reaction and its temperature dependence, which we find to be negligible. We then investigate the subsequent emissions of iodine-containing species from the surface ocean, which can further impact ozone.
Lorrie Simone Denise Jacob, Chiara Giorio, and Alexander Thomas Archibald
Atmos. Chem. Phys., 24, 3329–3347, https://doi.org/10.5194/acp-24-3329-2024, https://doi.org/10.5194/acp-24-3329-2024, 2024
Short summary
Short summary
Recent studies on DMS have provided new challenges to our mechanistic understanding. Here we synthesise a number of recent studies to further develop and extend a state-of-the-art mechanism. Our new mechanism is shown to outperform all existing mechanisms when compared over a wide set of conditions. The development of an improved DMS mechanism will help lead the way to better the understanding the climate impacts of DMS emissions in past, present, and future atmospheric conditions.
Jiangyi Zhang, Jian Zhao, Yuanyuan Luo, Valter Mickwitz, Douglas Worsnop, and Mikael Ehn
Atmos. Chem. Phys., 24, 2885–2911, https://doi.org/10.5194/acp-24-2885-2024, https://doi.org/10.5194/acp-24-2885-2024, 2024
Short summary
Short summary
Due to the intrinsic connection between the formation pathways of O3 and HOMs, the ratio of HOM dimers or non-nitrate monomers to HOM organic nitrates could be used to determine O3 formation regimes. Owing to the fast formation and short lifetimes of HOMs, HOM-based indicating ratios can describe O3 formation in real time. Despite the success of our approach in this simple laboratory system, applicability to the much more complex atmosphere remains to be determined.
Xi Cheng, Yong Jie Li, Yan Zheng, Keren Liao, Theodore K. Koenig, Yanli Ge, Tong Zhu, Chunxiang Ye, Xinghua Qiu, and Qi Chen
Atmos. Chem. Phys., 24, 2099–2112, https://doi.org/10.5194/acp-24-2099-2024, https://doi.org/10.5194/acp-24-2099-2024, 2024
Short summary
Short summary
In this study we conducted laboratory measurements to investigate the formation of gas-phase oxygenated organic molecules (OOMs) from six aromatic volatile organic compounds (VOCs). We provide a thorough analysis on the effects of precursor structure (substituents and ring numbers) on product distribution and highlight from a laboratory perspective that heavy (e.g., double-ring) aromatic VOCs are important in initial particle growth during secondary organic aerosol formation.
Yiwei Gong, Feng Jiang, Yanxia Li, Thomas Leisner, and Harald Saathoff
Atmos. Chem. Phys., 24, 167–184, https://doi.org/10.5194/acp-24-167-2024, https://doi.org/10.5194/acp-24-167-2024, 2024
Short summary
Short summary
This study investigates the role of the important atmospheric reactive intermediates in the formation of dimers and aerosol in monoterpene ozonolysis at different temperatures. Through conducting a series of chamber experiments and utilizing chemical kinetic and aerosol dynamic models, the SOA formation processes are better described, especially for colder regions. The results can be used to improve the chemical mechanism modeling of monoterpenes and SOA parameterization in transport models.
María Asensio, Sergio Blázquez, María Antiñolo, José Albaladejo, and Elena Jiménez
Atmos. Chem. Phys., 23, 14115–14126, https://doi.org/10.5194/acp-23-14115-2023, https://doi.org/10.5194/acp-23-14115-2023, 2023
Short summary
Short summary
In this work, we focus on the atmospheric chemistry and consequences for air quality of 2-methylpentanal (2MP), which is widely used as a flavoring ingredient and as an intermediate in the synthesis of dyes, resins, and pharmaceuticals. Measurements are presented on how fast 2MP is degraded by sunlight and oxidants like hydroxyl (OH) radicals and chlorine (Cl) atoms and what products are generated. We conclude that 2MP will be degraded in a few hours, affecting local air quality.
Reina S. Buenconsejo, Sophia M. Charan, John H. Seinfeld, and Paul O. Wennberg
EGUsphere, https://doi.org/10.5194/egusphere-2023-2483, https://doi.org/10.5194/egusphere-2023-2483, 2023
Short summary
Short summary
We look at the atmospheric chemistry of a volatile chemical product (VCP), benzyl alcohol. Benzyl alcohol and other VCPs may play a significant role in the formation of urban smog. By better understanding the chemistry of VCPs like benzyl alcohol, we may better understand observed data and how VCPs affect air quality. We identify products formed from benzyl alcohol chemistry and use this chemistry to understand how benzyl alcohol forms a key component of smog, secondary organic aerosol.
Andrew T. Lambe, Bin Bai, Masayuki Takeuchi, Nicole Orwat, Paul M. Zimmerman, Mitchell W. Alton, Nga L. Ng, Andrew Freedman, Megan S. Claflin, Drew R. Gentner, Douglas R. Worsnop, and Pengfei Liu
Atmos. Chem. Phys., 23, 13869–13882, https://doi.org/10.5194/acp-23-13869-2023, https://doi.org/10.5194/acp-23-13869-2023, 2023
Short summary
Short summary
We developed a new method to generate nitrate radicals (NO3) for atmospheric chemistry applications that works by irradiating mixtures containing ceric ammonium nitrate with a UV light at room temperature. It has several advantages over traditional NO3 sources. We characterized its performance over a range of mixture and reactor conditions as well as other irradiation products. Proof of concept was demonstrated by generating and characterizing oxidation products of the β-pinene + NO3 reaction.
Han Zang, Dandan Huang, Jiali Zhong, Ziyue Li, Chenxi Li, Huayun Xiao, and Yue Zhao
Atmos. Chem. Phys., 23, 12691–12705, https://doi.org/10.5194/acp-23-12691-2023, https://doi.org/10.5194/acp-23-12691-2023, 2023
Short summary
Short summary
Acylperoxy radicals (RO2) are key intermediates in the atmospheric oxidation of organic compounds, yet our knowledge of their identities and chemistry remains poor. Using direct measurements and kinetic modeling, we identify the composition and formation pathways of acyl RO2 and quantify their contribution to highly oxygenated organic molecules during α-pinene ozonolysis, which will help to understand oxidation chemistry of monoterpenes and sources of low-volatility organics in the atmosphere.
Jacky Y. S. Pang, Florian Berg, Anna Novelli, Birger Bohn, Michelle Färber, Philip T. M. Carlsson, René Dubus, Georgios I. Gkatzelis, Franz Rohrer, Sergej Wedel, Andreas Wahner, and Hendrik Fuchs
Atmos. Chem. Phys., 23, 12631–12649, https://doi.org/10.5194/acp-23-12631-2023, https://doi.org/10.5194/acp-23-12631-2023, 2023
Short summary
Short summary
In this study, the oxidations of sabinene by OH radicals and ozone were investigated with an atmospheric simulation chamber. Reaction rate coefficients of the OH-oxidation reaction at temperatures between 284 to 340 K were determined for the first time in the laboratory by measuring the OH reactivity. Product yields determined in chamber experiments had good agreement with literature values, but discrepancies were found between experimental yields and expected yields from oxidation mechanisms.
Rolf Sander
Atmos. Chem. Phys., 23, 10901–12440, https://doi.org/10.5194/acp-23-10901-2023, https://doi.org/10.5194/acp-23-10901-2023, 2023
Short summary
Short summary
According to Henry's law, the equilibrium ratio between the abundances in the gas phase and in the aqueous phase is constant for a dilute solution. Henry’s law constants of trace gases of potential importance in environmental chemistry have been collected and converted into a uniform format. The compilation contains 46 434 values of Henry's law constants for 10 173 species, collected from 995 references. It is also available on the internet at https://www.henrys-law.org.
Marc von Hobe, Domenico Taraborrelli, Sascha Alber, Birger Bohn, Hans-Peter Dorn, Hendrik Fuchs, Yun Li, Chenxi Qiu, Franz Rohrer, Roberto Sommariva, Fred Stroh, Zhaofeng Tan, Sergej Wedel, and Anna Novelli
Atmos. Chem. Phys., 23, 10609–10623, https://doi.org/10.5194/acp-23-10609-2023, https://doi.org/10.5194/acp-23-10609-2023, 2023
Short summary
Short summary
The trace gas carbonyl sulfide (OCS) transports sulfur from the troposphere to the stratosphere, where sulfate aerosols are formed that influence climate and stratospheric chemistry. An uncertain OCS source in the troposphere is chemical production form dimethyl sulfide (DMS), a gas released in large quantities from the oceans. We carried out experiments in a large atmospheric simulation chamber to further elucidate the chemical mechanism of OCS production from DMS.
Shawon Barua, Siddharth Iyer, Avinash Kumar, Prasenjit Seal, and Matti Rissanen
Atmos. Chem. Phys., 23, 10517–10532, https://doi.org/10.5194/acp-23-10517-2023, https://doi.org/10.5194/acp-23-10517-2023, 2023
Short summary
Short summary
This work illustrates how a common volatile hydrocarbon, hexanal, has the potential to undergo atmospheric autoxidation that leads to prompt formation of condensable material that subsequently contributes to aerosol formation, deteriorating the air quality of urban atmospheres. We used the combined state-of-the-art quantum chemical modeling and experimental flow reactor experiments under atmospheric conditions to resolve the autoxidation mechanism of hexanal initiated by a common oxidant.
Yixin Hao, Jun Zhou, Jie-Ping Zhou, Yan Wang, Suxia Yang, Yibo Huangfu, Xiao-Bing Li, Chunsheng Zhang, Aiming Liu, Yanfeng Wu, Yaqing Zhou, Shuchun Yang, Yuwen Peng, Jipeng Qi, Xianjun He, Xin Song, Yubin Chen, Bin Yuan, and Min Shao
Atmos. Chem. Phys., 23, 9891–9910, https://doi.org/10.5194/acp-23-9891-2023, https://doi.org/10.5194/acp-23-9891-2023, 2023
Short summary
Short summary
By employing an improved net photochemical ozone production rate (NPOPR) detection system based on the dual-channel reaction chamber technique, we measured the net photochemical ozone production rate in the Pearl River Delta in China. The photochemical ozone formation mechanisms in the reaction and reference chambers were investigated using the observation-data-constrained box model, which helped us to validate the NPOPR detection system and understand photochemical ozone formation mechanism.
Kevin J. Nihill, Matthew M. Coggon, Christopher Y. Lim, Abigail R. Koss, Bin Yuan, Jordan E. Krechmer, Kanako Sekimoto, Jose L. Jimenez, Joost de Gouw, Christopher D. Cappa, Colette L. Heald, Carsten Warneke, and Jesse H. Kroll
Atmos. Chem. Phys., 23, 7887–7899, https://doi.org/10.5194/acp-23-7887-2023, https://doi.org/10.5194/acp-23-7887-2023, 2023
Short summary
Short summary
In this work, we collect emissions from controlled burns of biomass fuels that can be found in the western United States into an environmental chamber in order to simulate their oxidation as they pass through the atmosphere. These findings provide a detailed characterization of the composition of the atmosphere downwind of wildfires. In turn, this will help to explore the effects of these changing emissions on downwind populations and will also directly inform atmospheric and climate models.
Caterina Mapelli, James K. Donnelly, Úna E. Hogan, Andrew R. Rickard, Abbie T. Robinson, Fergal Byrne, Con Rob McElroy, Basile F. E. Curchod, Daniel Hollas, and Terry J. Dillon
Atmos. Chem. Phys., 23, 7767–7779, https://doi.org/10.5194/acp-23-7767-2023, https://doi.org/10.5194/acp-23-7767-2023, 2023
Short summary
Short summary
Solvents are chemical compounds with countless uses in the chemical industry, and they also represent one of the main sources of pollution in the chemical sector. Scientists are trying to develop new
greensafer solvents which present favourable advantages when compared to traditional solvents. Since the assessment of these green solvents often lacks air quality considerations, this study aims to understand the behaviour of these compounds, investigating their reactivity in the troposphere.
Roland Benoit, Nesrine Belhadj, Zahraa Dbouk, Maxence Lailliau, and Philippe Dagaut
Atmos. Chem. Phys., 23, 5715–5733, https://doi.org/10.5194/acp-23-5715-2023, https://doi.org/10.5194/acp-23-5715-2023, 2023
Short summary
Short summary
We observed a surprisingly similar set of oxidation product chemical formulas from limonene and α-pinene, including oligomers, formed under cool-flame (present experiments) and simulated atmospheric oxidation (literature). Data analysis indicated that a subset of chemical formulas is common to all experiments independently of experimental conditions. Also, this study indicates that many detected chemical formulas can be ascribed to an autooxidation reaction.
Melissa Meder, Otso Peräkylä, Jonathan G. Varelas, Jingyi Luo, Runlong Cai, Yanjun Zhang, Theo Kurtén, Matthieu Riva, Matti Rissanen, Franz M. Geiger, Regan J. Thomson, and Mikael Ehn
Atmos. Chem. Phys., 23, 4373–4390, https://doi.org/10.5194/acp-23-4373-2023, https://doi.org/10.5194/acp-23-4373-2023, 2023
Short summary
Short summary
We discuss and show the viability of a method where multiple isotopically labelled precursors are used for probing the formation pathways of highly oxygenated organic molecules (HOMs) from the oxidation of the monoterpene a-pinene. HOMs are very important for secondary organic aerosol (SOA) formation in forested regions, and monoterpenes are the single largest source of SOA globally. The fast reactions forming HOMs have thus far remained elusive despite considerable efforts over the last decade.
Philip T. M. Carlsson, Luc Vereecken, Anna Novelli, François Bernard, Steven S. Brown, Bellamy Brownwood, Changmin Cho, John N. Crowley, Patrick Dewald, Peter M. Edwards, Nils Friedrich, Juliane L. Fry, Mattias Hallquist, Luisa Hantschke, Thorsten Hohaus, Sungah Kang, Jonathan Liebmann, Alfred W. Mayhew, Thomas Mentel, David Reimer, Franz Rohrer, Justin Shenolikar, Ralf Tillmann, Epameinondas Tsiligiannis, Rongrong Wu, Andreas Wahner, Astrid Kiendler-Scharr, and Hendrik Fuchs
Atmos. Chem. Phys., 23, 3147–3180, https://doi.org/10.5194/acp-23-3147-2023, https://doi.org/10.5194/acp-23-3147-2023, 2023
Short summary
Short summary
The investigation of the night-time oxidation of the most abundant hydrocarbon, isoprene, in chamber experiments shows the importance of reaction pathways leading to epoxy products, which could enhance particle formation, that have so far not been accounted for. The chemical lifetime of organic nitrates from isoprene is long enough for the majority to be further oxidized the next day by daytime oxidants.
Kevin D. Easterbrook, Mitchell A. Vona, Kiana Nayebi-Astaneh, Amanda M. Miller, and Hans D. Osthoff
Atmos. Chem. Phys., 23, 311–322, https://doi.org/10.5194/acp-23-311-2023, https://doi.org/10.5194/acp-23-311-2023, 2023
Short summary
Short summary
The trace gas peroxypropionyl nitrate (PPN) is generated in photochemical smog, phytotoxic, a strong eye irritant, and possibly mutagenic. Here, its solubility and reactivity in water and in octanol were investigated using a bubble flow apparatus, yielding its Henry's law constant and octanol–water partition coefficient (Kow). The results allow the fate of PPN to be more accurately constrained in atmospheric chemical transport models, including its uptake on clouds, organic aerosol, and leaves.
Qing Ye, Matthew B. Goss, Jordan E. Krechmer, Francesca Majluf, Alexander Zaytsev, Yaowei Li, Joseph R. Roscioli, Manjula Canagaratna, Frank N. Keutsch, Colette L. Heald, and Jesse H. Kroll
Atmos. Chem. Phys., 22, 16003–16015, https://doi.org/10.5194/acp-22-16003-2022, https://doi.org/10.5194/acp-22-16003-2022, 2022
Short summary
Short summary
The atmospheric oxidation of dimethyl sulfide (DMS) is a major natural source of sulfate particles in the atmosphere. However, its mechanism is poorly constrained. In our work, laboratory measurements and mechanistic modeling were conducted to comprehensively investigate DMS oxidation products and key reaction rates. We find that the peroxy radical (RO2) has a controlling effect on product distribution and aerosol yield, with the isomerization of RO2 leading to the suppression of aerosol yield.
Caterina Mapelli, Juliette V. Schleicher, Alex Hawtin, Conor D. Rankine, Fiona C. Whiting, Fergal Byrne, C. Rob McElroy, Claudiu Roman, Cecilia Arsene, Romeo I. Olariu, Iustinian G. Bejan, and Terry J. Dillon
Atmos. Chem. Phys., 22, 14589–14602, https://doi.org/10.5194/acp-22-14589-2022, https://doi.org/10.5194/acp-22-14589-2022, 2022
Short summary
Short summary
Solvents represent an important source of pollution from the chemical industry. New "green" solvents aim to replace toxic solvents with new molecules made from renewable sources and designed to be less harmful. Whilst these new molecules are selected according to toxicity and other characteristics, no consideration has yet been included on air quality. Studying the solvent breakdown in air, we found that TMO has a lower impact on air quality than traditional solvents with similar properties.
Kai Song, Song Guo, Yuanzheng Gong, Daqi Lv, Yuan Zhang, Zichao Wan, Tianyu Li, Wenfei Zhu, Hui Wang, Ying Yu, Rui Tan, Ruizhe Shen, Sihua Lu, Shuangde Li, Yunfa Chen, and Min Hu
Atmos. Chem. Phys., 22, 9827–9841, https://doi.org/10.5194/acp-22-9827-2022, https://doi.org/10.5194/acp-22-9827-2022, 2022
Short summary
Short summary
Emissions from four typical Chinese domestic cooking and fried chicken using four kinds of oils were investigated to illustrate the impact of cooking style and oil. Of the estimated SOA, 10.2 %–32.0 % could be explained by S/IVOC oxidation. Multiway principal component analysis (MPCA) emphasizes the importance of the unsaturated fatty acid-alkadienal volatile product mechanism (oil autoxidation) accelerated by the cooking and heating procedure.
Michelia Dam, Danielle C. Draper, Andrey Marsavin, Juliane L. Fry, and James N. Smith
Atmos. Chem. Phys., 22, 9017–9031, https://doi.org/10.5194/acp-22-9017-2022, https://doi.org/10.5194/acp-22-9017-2022, 2022
Short summary
Short summary
We performed chamber experiments to measure the composition of the gas-phase reaction products of nitrate-radical-initiated oxidation of four monoterpenes. The total organic yield, effective oxygen-to-carbon ratio, and dimer-to-monomer ratio were correlated with the observed particle formation for the monoterpene systems with some exceptions. The Δ-carene system produced the most particles, followed by β-pinene, with the α-pinene and α-thujene systems producing no particles.
Jacky Yat Sing Pang, Anna Novelli, Martin Kaminski, Ismail-Hakki Acir, Birger Bohn, Philip T. M. Carlsson, Changmin Cho, Hans-Peter Dorn, Andreas Hofzumahaus, Xin Li, Anna Lutz, Sascha Nehr, David Reimer, Franz Rohrer, Ralf Tillmann, Robert Wegener, Astrid Kiendler-Scharr, Andreas Wahner, and Hendrik Fuchs
Atmos. Chem. Phys., 22, 8497–8527, https://doi.org/10.5194/acp-22-8497-2022, https://doi.org/10.5194/acp-22-8497-2022, 2022
Short summary
Short summary
This study investigates the radical chemical budget during the limonene oxidation at different atmospheric-relevant NO concentrations in chamber experiments under atmospheric conditions. It is found that the model–measurement discrepancies of HO2 and RO2 are very large at low NO concentrations that are typical for forested environments. Possible additional processes impacting HO2 and RO2 concentrations are discussed.
Carmen Maria Tovar, Ian Barnes, Iustinian Gabriel Bejan, and Peter Wiesen
Atmos. Chem. Phys., 22, 6989–7004, https://doi.org/10.5194/acp-22-6989-2022, https://doi.org/10.5194/acp-22-6989-2022, 2022
Short summary
Short summary
This work explores the kinetics and reactivity of epoxides towards the OH radical using two different simulation chambers. Estimation of the rate coefficients has also been made using different structure–activity relationship (SAR) approaches. The results indicate a direct influence of the structural and geometric properties of the epoxides not considered in SAR estimations, influencing the reactivity of these compounds. The outcomes of this work are in very good agreement with previous studies.
Axel Fouqueau, Manuela Cirtog, Mathieu Cazaunau, Edouard Pangui, Jean-François Doussin, and Bénédicte Picquet-Varrault
Atmos. Chem. Phys., 22, 6411–6434, https://doi.org/10.5194/acp-22-6411-2022, https://doi.org/10.5194/acp-22-6411-2022, 2022
Short summary
Short summary
Biogenic volatile organic compounds are intensely emitted by forests and crops and react with the nitrate radical during the nighttime to form functionalized products. The purpose of this study is to furnish kinetic and mechanistic data for terpinolene and β-caryophyllene, using simulation chamber experiments. Rate constants have been measured using both relative and absolute methods, and mechanistic studies have been conducted in order to identify and quantify the main reaction products.
Yuanyuan Luo, Olga Garmash, Haiyan Li, Frans Graeffe, Arnaud P. Praplan, Anssi Liikanen, Yanjun Zhang, Melissa Meder, Otso Peräkylä, Josep Peñuelas, Ana María Yáñez-Serrano, and Mikael Ehn
Atmos. Chem. Phys., 22, 5619–5637, https://doi.org/10.5194/acp-22-5619-2022, https://doi.org/10.5194/acp-22-5619-2022, 2022
Short summary
Short summary
Diterpenes were only recently observed in the atmosphere, and little is known of their atmospheric fates. We explored the ozonolysis of the diterpene kaurene in a chamber, and we characterized the oxidation products for the first time using chemical ionization mass spectrometry. Our findings highlight similarities and differences between diterpenes and smaller terpenes during their atmospheric oxidation.
Wenyu Sun, Matias Berasategui, Andrea Pozzer, Jos Lelieveld, and John N. Crowley
Atmos. Chem. Phys., 22, 4969–4984, https://doi.org/10.5194/acp-22-4969-2022, https://doi.org/10.5194/acp-22-4969-2022, 2022
Short summary
Short summary
The reaction between OH and SO2 is a termolecular process that in the atmosphere results in the formation of H2SO4 and thus aerosols. We present the first temperature- and pressure-dependent measurements of the rate coefficients in N2. This is also the first study to examine the effects of water vapour on the kinetics of this reaction. Our results indicate the rate coefficient is larger than that recommended by evaluation panels, with deviations of up to 30 % in some parts of the atmosphere.
Haoyu Jiang, Yingyao He, Yiqun Wang, Sheng Li, Bin Jiang, Luca Carena, Xue Li, Lihua Yang, Tiangang Luan, Davide Vione, and Sasho Gligorovski
Atmos. Chem. Phys., 22, 4237–4252, https://doi.org/10.5194/acp-22-4237-2022, https://doi.org/10.5194/acp-22-4237-2022, 2022
Short summary
Short summary
Heterogeneous oxidation of SO2 is suggested to be one of the most important pathways for sulfate formation during extreme haze events in China, yet the exact mechanism remains highly uncertain. Our study reveals that ubiquitous compounds at the sea surface PAHS and DMSO, when exposed to SO2 under simulated sunlight irradiation, generate abundant organic sulfur compounds, providing implications for air-sea interaction and secondary organic aerosols formation processes.
Roland Vernooij, Ulrike Dusek, Maria Elena Popa, Peng Yao, Anupam Shaikat, Chenxi Qiu, Patrik Winiger, Carina van der Veen, Thomas Callum Eames, Natasha Ribeiro, and Guido R. van der Werf
Atmos. Chem. Phys., 22, 2871–2890, https://doi.org/10.5194/acp-22-2871-2022, https://doi.org/10.5194/acp-22-2871-2022, 2022
Short summary
Short summary
Landscape fires are a major source of greenhouse gases and aerosols, particularly in sub-tropical savannas. Stable carbon isotopes in emissions can be used to trace the contribution of C3 plants (e.g. trees or shrubs) and C4 plants (e.g. savanna grasses) to greenhouse gases and aerosols if the process is well understood. This helps us to link individual vegetation types to emissions, identify biomass burning emissions in the atmosphere, and improve the reconstruction of historic fire regimes.
María Asensio, María Antiñolo, Sergio Blázquez, José Albaladejo, and Elena Jiménez
Atmos. Chem. Phys., 22, 2689–2701, https://doi.org/10.5194/acp-22-2689-2022, https://doi.org/10.5194/acp-22-2689-2022, 2022
Short summary
Short summary
The diurnal atmospheric degradation of 2-methylbutanal, 2 MB, emitted by sources like vegetation or the poultry industry is evaluated in this work. Sunlight and oxidants like hydroxyl (OH) radicals and chlorine (Cl) atoms initiate this degradation. Measurements of how fast 2 MB is degraded and what products are generated are presented. The lifetime of 2 MB is around 1 h at noon, when the OH reaction dominates. Thus, 2 MB will not be transported far, affecting only local air quality.
Claudiu Roman, Cecilia Arsene, Iustinian Gabriel Bejan, and Romeo Iulian Olariu
Atmos. Chem. Phys., 22, 2203–2219, https://doi.org/10.5194/acp-22-2203-2022, https://doi.org/10.5194/acp-22-2203-2022, 2022
Short summary
Short summary
Gas-phase reaction rate coefficients of OH radicals with four nitrocatechols have been investigated for the first time by using ESC-Q-UAIC chamber facilities. The reactivity of all investigated nitrocatechols is influenced by the formation of the intramolecular H-bonds that are connected to the deactivating electromeric effect of the NO2 group. For the 3-nitrocatechol compounds, the electromeric effect of the
freeOH group is diminished by the deactivating E-effect of the NO2 group.
Zhiyuan Gao, Nicolas-Xavier Geilfus, Alfonso Saiz-Lopez, and Feiyue Wang
Atmos. Chem. Phys., 22, 1811–1824, https://doi.org/10.5194/acp-22-1811-2022, https://doi.org/10.5194/acp-22-1811-2022, 2022
Short summary
Short summary
Every spring in the Arctic, a series of photochemical events occur over the ice-covered ocean, known as bromine explosion events, ozone depletion events, and mercury depletion events. Here we report the re-creation of these events at an outdoor sea ice facility in Winnipeg, Canada, far away from the Arctic. The success provides a new platform with new opportunities to uncover fundamental mechanisms of these Arctic springtime phenomena and how they may change in a changing climate.
Haichao Wang, Chao Peng, Xuan Wang, Shengrong Lou, Keding Lu, Guicheng Gan, Xiaohong Jia, Xiaorui Chen, Jun Chen, Hongli Wang, Shaojia Fan, Xinming Wang, and Mingjin Tang
Atmos. Chem. Phys., 22, 1845–1859, https://doi.org/10.5194/acp-22-1845-2022, https://doi.org/10.5194/acp-22-1845-2022, 2022
Short summary
Short summary
Via combining laboratory and modeling work, we found that heterogeneous reaction of N2O5 with saline mineral dust aerosol could be an important source of tropospheric ClNO2 in inland regions.
Delaney B. Kilgour, Gordon A. Novak, Jon S. Sauer, Alexia N. Moore, Julie Dinasquet, Sarah Amiri, Emily B. Franklin, Kathryn Mayer, Margaux Winter, Clare K. Morris, Tyler Price, Francesca Malfatti, Daniel R. Crocker, Christopher Lee, Christopher D. Cappa, Allen H. Goldstein, Kimberly A. Prather, and Timothy H. Bertram
Atmos. Chem. Phys., 22, 1601–1613, https://doi.org/10.5194/acp-22-1601-2022, https://doi.org/10.5194/acp-22-1601-2022, 2022
Short summary
Short summary
We report measurements of gas-phase volatile organosulfur molecules made during a mesocosm phytoplankton bloom experiment. Dimethyl sulfide (DMS), methanethiol (MeSH), and benzothiazole accounted for on average over 90 % of total gas-phase sulfur emissions. This work focuses on factors controlling the production and emission of DMS and MeSH and the role of non-DMS molecules (such as MeSH and benzothiazole) in secondary sulfate formation in coastal marine environments.
Niklas Illmann, Iulia Patroescu-Klotz, and Peter Wiesen
Atmos. Chem. Phys., 21, 18557–18572, https://doi.org/10.5194/acp-21-18557-2021, https://doi.org/10.5194/acp-21-18557-2021, 2021
Short summary
Short summary
Understanding the chemistry of biomass burning plumes is of global interest. Within this work we investigated the OH radical reaction of 3-penten-2-one, which has been identified in biomass burning emissions. We observed the primary formation of peroxyacetyl nitrate (PAN), a key NOx reservoir species. Besides, PAN precursors were also identified as main oxidation products. 3-Penten-2-one is shown to be an example explaining rapid PAN formation within young biomass burning plumes.
Zhaofeng Tan, Luisa Hantschke, Martin Kaminski, Ismail-Hakki Acir, Birger Bohn, Changmin Cho, Hans-Peter Dorn, Xin Li, Anna Novelli, Sascha Nehr, Franz Rohrer, Ralf Tillmann, Robert Wegener, Andreas Hofzumahaus, Astrid Kiendler-Scharr, Andreas Wahner, and Hendrik Fuchs
Atmos. Chem. Phys., 21, 16067–16091, https://doi.org/10.5194/acp-21-16067-2021, https://doi.org/10.5194/acp-21-16067-2021, 2021
Short summary
Short summary
The photo-oxidation of myrcene, a monoterpene species emitted by plants, was investigated at atmospheric conditions in the outdoor simulation chamber SAPHIR. The chemical structure of myrcene is partly similar to isoprene. Therefore, it can be expected that hydrogen shift reactions could play a role as observed for isoprene. In this work, their potential impact on the regeneration efficiency of hydroxyl radicals is investigated.
Shijie Yu, Fangcheng Su, Shasha Yin, Shenbo Wang, Ruixin Xu, Bing He, Xiangge Fan, Minghao Yuan, and Ruiqin Zhang
Atmos. Chem. Phys., 21, 15239–15257, https://doi.org/10.5194/acp-21-15239-2021, https://doi.org/10.5194/acp-21-15239-2021, 2021
Short summary
Short summary
This study measured 106 VOC species using a GC-MS/FID. Meanwhile, the WRF-CMAQ model was used to investigate the nonlinearity of the O3 response to precursor reductions. This study highlights the effectiveness of stringent emission controls in relation to solvent utilization and coal combustion. However, unreasonable emission reduction may aggravate ozone pollution during control periods. It is suggested that emission-reduction ratios of the precursors (VOC : NOx) should be more than 2.
Niklas Illmann, Rodrigo Gastón Gibilisco, Iustinian Gabriel Bejan, Iulia Patroescu-Klotz, and Peter Wiesen
Atmos. Chem. Phys., 21, 13667–13686, https://doi.org/10.5194/acp-21-13667-2021, https://doi.org/10.5194/acp-21-13667-2021, 2021
Short summary
Short summary
Within this work we determined the rate coefficients and products of the reaction of unsaturated ketones with OH radicals in an effort to complete the gaps in the knowledge needed for modelling chemistry in the atmosphere. Both substances are potentially emitted by biomass burning, industrial activities or formed in the troposphere by oxidation of terpenes. As products we identified aldehydes and ketones which in turn are known to be responsible for the transportation of NOx species.
Yangang Ren, Li Zhou, Abdelwahid Mellouki, Véronique Daële, Mahmoud Idir, Steven S. Brown, Branko Ruscic, Robert S. Paton, Max R. McGillen, and A. R. Ravishankara
Atmos. Chem. Phys., 21, 13537–13551, https://doi.org/10.5194/acp-21-13537-2021, https://doi.org/10.5194/acp-21-13537-2021, 2021
Short summary
Short summary
Aromatic aldehydes are a family of compounds emitted into the atmosphere from both anthropogenic and biogenic sources that are formed from the degradation of aromatic hydrocarbons. Their atmospheric degradation may impact air quality. We report on their atmospheric degradation through reaction with NO3, which is useful to estimate their atmospheric lifetimes. We have also attempted to elucidate the mechanism of these reactions via studies of isotopic substitution and quantum chemistry.
Luisa Hantschke, Anna Novelli, Birger Bohn, Changmin Cho, David Reimer, Franz Rohrer, Ralf Tillmann, Marvin Glowania, Andreas Hofzumahaus, Astrid Kiendler-Scharr, Andreas Wahner, and Hendrik Fuchs
Atmos. Chem. Phys., 21, 12665–12685, https://doi.org/10.5194/acp-21-12665-2021, https://doi.org/10.5194/acp-21-12665-2021, 2021
Short summary
Short summary
The reactions of Δ3-carene with ozone and the hydroxyl radical (OH) and the photolysis and OH reaction of caronaldehyde were investigated in the simulation chamber SAPHIR. Reaction rate constants of these reactions were determined. Caronaldehyde yields of the ozonolysis and OH reaction were determined. The organic nitrate yield of the reaction of Δ3-carene and caronaldehyde-derived peroxy radicals with NO was determined. The ROx budget (ROx = OH+HO2+RO2) was also investigated.
Cited articles
Ahern, A. T., Robinson, E. S., Tkacik, D. S., Saleh, R., Hatch, L. E.,
Barsanti, K. C., Stockwell, C. E., Yokelson, R. J., Presto, A. A., Robinson,
A. L., Sullivan, R. C., and Donahue, N. M.: Production of Secondary Organic
Aerosol During Aging of Biomass Burning Smoke From Fresh Fuels and Its
Relationship to VOC Precursors, J. Geophys. Res.-Atmos., 124, 3583–3606,
2019.
Akherati, A., He, Y., Coggon, M. M., Koss, A. R., Hodshire, A. L., Sekimoto,
K., Warneke, C., de Gouw, J., Yee, L., Seinfeld, J. H., Onasch, T. B.,
Herndon, S. C., Knighton, W. B., Cappa, C. D., Kleeman, M. J., Lim, C. Y.,
Kroll, J. H., Pierce, J. R., and Jathar, S. H.: Oxygenated Aromatic
Compounds are Important Precursors of Secondary Organic Aerosol in Biomass
Burning Emissions, Environ. Sci. Technol., 54, 8568–8579,
https://doi.org/10.1021/acs.est.0c01345, 2020.
Andreae, M. O.: Emission of trace gases and aerosols from biomass burning – an updated assessment, Atmos. Chem. Phys., 19, 8523–8546, https://doi.org/10.5194/acp-19-8523-2019, 2019.
Andreae, M. O., Browell, E. V., Garstang, M,. Gregory, G. L., Harriss, R.
C., Hill, G. F., Jacob, D. J., Pereira, C., Sachse, G. W., Setzer, A. W.,
Silva Dias, P. L., Talbot, R. W., Torres, A. L., and Wofsy, S. C.:
Biomass-burning emissions and associated haze layers over Amazonia, J.
Geophys. Res.-Atmos, 93, 1509–1527, 1988.
Aschmann, S. M., Nishino, N., Arey, J., and Atkinson, R.: Kinetics of the Reactions of OH Radicals with 2- and 3-Methylfuran, 2,3- and 2,5-Dimethylfuran, and E- and Z-3-Hexene-2,5-dione, and Products of OH + 2,5-Dimethylfuran, Environ. Sci. Technol., 45, 1859–1865, 2011.
Aschmann, S. M., Nishino, N., Arey J., and Atkinson, R.: Products of the OH
radical-initiated reactions of furan, 2- and 3-methylfuran, and 2,3- and
2,5-dimethylfuran in the presence of NO, J. Phys. Chem. A, 118, 457–466,
2014.
Atkinson, R., Aschmann, S. M., and Carter, W. P. L.: Kinetics of the
reactions of O3 and OH radicals with furan and thiophene at 298 ± 2 K,
Int. J. Chem. Kinet., 15, 51–61, 1983.
Atkinson, R., Aschmann, S. M., Winer, A. M., and Carter, W. P. L.: Rate
Constants for the Gas Phase Reactions of OH Radicals and O3 with
Pyrrole at 295 ± 1 K and Atmospheric Pressure, Atmos. Environ., 18,
2105–2107, 1984a.
Atkinson, R., Aschmann, S. M., Winer, A. M., and Pitts, J. N.: Gas-phase
reactions of NO2 with alkenes and dialkenes, Int. J. Chem. Kinet., 16,
697–706, 1984b.
Atkinson, R., Aschmann, S. M., Winer, A. M., and Carter, W. P. L.: Rate
Constants for the Gas Phase Reactions of NO3 Radicals with Furan,
Thiophene and Pyrrole at 295 ± 1 K and Atmospheric Pressure, Environ.
Sci. Technol., 19, 87–90, 1985.
Ausmeel, S., Andersen, C., Nielsen, O. J., Østerstrøm, F. F., Johnson,
M. S., and Nilsson, E. J. K.: Reactions of Three Lactones with Cl, OD, and
O3: Atmospheric Impact and Trends in Furan Reactivity, J. Phys. Chem.
A, 121, 4123–4131, 2017.
Barnes, I., Bastian, V., Becker, K. H., and Tong, Z.: Kinetics and products
of the reactions of nitrate radical with monoalkenes, dialkenes, and
monoterpenes, J. Phys. Chem., 94, 2413–2419, 1990.
Bernard, F., Cazaunau, M., Mu, Y., Wang, X., Daële, V., Chen, J., and
Mellouki, A.: Reaction of NO2 with conjugated alkenes, J. Phys. Chem.
A, 117, 14132–14140, 2013.
Berndt, T., Böge, O., and Rolle, W.: Products of the Gas-Phase Reactions
of NO3 Radicals with Furan and Tetramethylfuran, Environ. Sci.
Technol., 31, 1157–1162, 1997.
Bierbach, A., Barnes, I., and Becker, K. H.: Rate coefficients for the gas-phase reactions of hydroxyl radicals with furan, 2-methylfuran, 2-ethylfuran and 2,5-dimethylfuran at 300 ± 2 K, Atmos. Environ., 26, 813–817, 1992.
Bierbach, A., Barnes, I., Becker, K. H., and Wiesen, E.: Atmospheric
Chemistry of Unsaturated Carbonyls: Butenedial, 4-Oxo-2-pentenal,
3-Hexene-2,5-dione, Maleic Anhydride, 3H-Furan-2-one, and
5-Methyl-3H-furan-2-one, Environ. Sci. Technol., 28, 715–729, 1994.
Bierbach, A., Barnes, I., and Becker, K. H.: Product and kinetic study of
the OH-initiated gas-phase oxidation of furan, 2-methylfuran and
furanaldehydes at ≈300 K, Atmos. Environ., 29, 2651–2660, 1995.
Binder, J. B. and Raines, R. T.: Simple Chemical Transformation of
Lignocellulosic Biomass into Furans for Fuels and Chemicals, J. Am. Chem.
Soc., 131, 1979–1985, 2009.
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.
Brocchi, V., Krysztofiak, G., Catoire, V., Guth, J., Marécal, V., Zbinden, R., El Amraoui, L., Dulac, F., and Ricaud, P.: Intercontinental transport of biomass burning pollutants over the Mediterranean Basin during the summer 2014 ChArMEx-GLAM airborne campaign, Atmos. Chem. Phys., 18, 6887–6906, https://doi.org/10.5194/acp-18-6887-2018, 2018.
Brown, S. and Stutz, J.: Nighttime radical observations and chemistry,
Chem. Soc. Rev., 41, 6405–6447, 2012.
Cabañas, B., Baeza, M. T., Salgado, S., Martín, P., Taccone, R.,
and Martínez, E.: Oxidation of heterocycles in the atmosphere: Kinetic
study of their reactions with NO3 radical, J. Phys. Chem. A, 108,
10818–10823, 2004.
Chafe, Z., Brauer, M., Héroux, M.-E., Klimont, Z., Lanki, T., Salonen,
R. O., and Smith, K. R.: Residential heating with wood and coal: health
impacts and policy options in Europe and North America, WHO Regional Office
for Europe, available at: https://apps.who.int/iris/handle/10665/153671 (last access: 27 January 2022), 2015.
Coggon, M. M., Lim, C. Y., Koss, A. R., Sekimoto, K., Yuan, B., Gilman, J. B., Hagan, D. H., Selimovic, V., Zarzana, K. J., Brown, S. S., Roberts, J. M., Müller, M., Yokelson, R., Wisthaler, A., Krechmer, J. E., Jimenez, J. L., Cappa, C., Kroll, J. H., de Gouw, J., and Warneke, C.: OH chemistry of non-methane organic gases (NMOGs) emitted from laboratory and ambient biomass burning smoke: evaluating the influence of furans and oxygenated aromatics on ozone and secondary NMOG formation, Atmos. Chem. Phys., 19, 14875–14899, https://doi.org/10.5194/acp-19-14875-2019, 2019.
Colmenar, I., Cabañas, B., Martínez, E., Salgado, M. S., and
Martín, P.: Atmospheric fate of a series of furanaldehydes by their
NO3 reactions, Atmos. Environ., 54, 177–184, 2012.
Decker, Z. C. J., Zarzana, K. J., Coggon, M., Min, K.-E., Pollack, I.,
Ryerson, T. B., Peischl, J., Edwards, P., Dubeì, W. P., Markovic, M. Z.,
Roberts, J. M., Veres, P. R., Graus, M., Warneke, C., de Gouw, J., Hatch, L.
E., Barsanti, K. C., and Brown, S. S.: Nighttime Chemical Transformation in
Biomass Burning Plumes: A Box Model Analysis Initialized with Aircraft
Observations, Environ. Sci. Technol., 53, 2529–2538,
https://doi.org/10.1021/acs.est.8b05359, 2019.
Decker, Z. C. J., Robinson, M. A., Barsanti, K. C., Bourgeois, I., Coggon, M. M., DiGangi, J. P., Diskin, G. S., Flocke, F. M., Franchin, A., Fredrickson, C. D., Gkatzelis, G. I., Hall, S. R., Halliday, H., Holmes, C. D., Huey, L. G., Lee, Y. R., Lindaas, J., Middlebrook, A. M., Montzka, D. D., Moore, R., Neuman, J. A., Nowak, J. B., Palm, B. B., Peischl, J., Piel, F., Rickly, P. S., Rollins, A. W., Ryerson, T. B., Schwantes, R. H., Sekimoto, K., Thornhill, L., Thornton, J. A., Tyndall, G. S., Ullmann, K., Van Rooy, P., Veres, P. R., Warneke, C., Washenfelder, R. A., Weinheimer, A. J., Wiggins, E., Winstead, E., Wisthaler, A., Womack, C., and Brown, S. S.: Nighttime and daytime dark oxidation chemistry in wildfire plumes: an observation and model analysis of FIREX-AQ aircraft data, Atmos. Chem. Phys., 21, 16293–16317, https://doi.org/10.5194/acp-21-16293-2021, 2021.
Dillon, T. J., Tucceri, M. E., Dulitz, K., Horowitz, A., Vereecken, L., and
Crowley, J.: Reaction of Hydroxyl Radicals with C4H5N (Pyrrole): Temperature
and Pressure Dependent Rate Coefficients, J. Phys. Chem. A, 116, 6051–6058,
2012.
Hamilton, J. F., Webb, P. J., Lewis, A. C., and Reviejo, M. M.: Quantifying small molecules in secondary organic aerosol formed during the photo-oxidation of toluene with hydroxyl radicals, Atmos. Environ., 39, 7263–7275, 2005.
Hamilton, J. F., Bryant, D. J., Edwards, P. E., Quyang, B., Bannan, T. J., Mehra, A., Mayhew, A. W., Hopkins, J. R., Dunmore, R. E., Squires, F. A., Lee, J. D., Newland, M. J., Worrall, S. D., Bacak, A., Coe, H., Percival, C., Whalley, L. K., Heard, D. E., Slater, E. J., Jones, R. L., Cui, T., Surratt, J. D., Reeves, C. E., Mills, G. P., Grimmond, S., Sun, Y., Xu, W., Shi, Z., and Rickard, A. R.: Key Role of NO3 Radicals in the Production of Isoprene Nitrates and Nitrooxyorganosulfates in Beijing, Environ. Sci. Technol., 55, 842–853, https://doi.org/10.1021/acs.est.0c05689, 2021.
Hartikainen, A., Yli-Pirilä, P., Tiitta, P., Leskinen, A., Kortelainen,
M., Orasche, J., Schnelle-Kreis, J., Lehtinen, K., Zimmermann, R.,
Jokiniemi, J., and Sippula, O.: Volatile Organic Compounds from Logwood
Combustion: Emissions and Transformation under Dark and Photochemical Aging
Conditions in a Smog Chamber, Environ. Sci. Technol., 52, 4979–4988, 2018.
Harvey B. J.: Human-caused climate change is now a key driver of forest fire
activity in the western United States, P. Natl. Acad. Sci. USA, 113,
11649–11650, 2016.
Hatch, L. E., Luo, W., Pankow, J. F., Yokelson, R. J., Stockwell, C. E., and Barsanti, K. C.: Identification and quantification of gaseous organic compounds emitted from biomass burning using two-dimensional gas chromatography–time-of-flight mass spectrometry, Atmos. Chem. Phys., 15, 1865–1899, https://doi.org/10.5194/acp-15-1865-2015, 2015.
Hatch, L. E., Yokelson, R. J., Stockwell, C. E., Veres, P. R., Simpson, I. J., Blake, D. R., Orlando, J. J., and Barsanti, K. C.: Multi-instrument comparison and compilation of non-methane organic gas emissions from biomass burning and implications for smoke-derived secondary organic aerosol precursors, Atmos. Chem. Phys., 17, 1471–1489, https://doi.org/10.5194/acp-17-1471-2017, 2017.
Hjorth, J., Lohse, C., Nielsen, C. J., Skov, H., and Restelli, G.: Products
and mechanism of the gas-phase reaction between NO3 and a series of
alkenes, J. Phys. Chem., 94, 7494–7500, 1990.
Huang, M. Q., Hu, C. J., Guo, X. Y., Gu, X. J., Zhao, W. X., Wang, Z. Y., Fang ,L., and Zhang, W. J.: Chemical composition of gas and particle-phase products of OH-initiated oxidation of 1,3,5-trimethylbenzene, Atmos. Pollut. Res., 5, 73–78, 2014.
Jenkin, M. E., Saunders, S. M., and Pilling, M. J.: The tropospheric
degradation of volatile organic compounds: a protocol for mechanism
development, Atmos. Environ., 31, 81–104,
https://doi.org/10.1016/S1352-2310(96)00105-7, 1997 (data available at:
http://mcm.york.ac.uk, last access: 27 January 2022).
Jenkin, M. E., Valorso, R., Aumont, B., Newland, M. J., and Rickard, A. R.: Estimation of rate coefficients for the reactions of O3 with unsaturated organic compounds for use in automated mechanism construction, Atmos. Chem. Phys., 20, 12921–12937, https://doi.org/10.5194/acp-20-12921-2020, 2020.
Johnson, M. S., Strawbridge, K., Knowland, K. E., Keller, C., and Travis,
M.: Long-range transport of Siberian biomass burning emissions to North
America during FIREX-AQ, Atmos. Environ., 252, 118241, https://doi.org/10.1016/j.atmosenv.2021.118241, 2021.
Jolly, W. M., Cochrane, M. A., Freeborn, P. H., Holden, Z. A., Brown, T. J.,
Williamson, G. J., and Bowman, D. M. J. S.: Climate-induced variations in
global wildfire danger from 1979 to 2013, Nat. Commun., 6, 7537, https://doi.org/10.1038/ncomms8537, 2015.
Joo, T., Rivera-Rios, J. C., Takeuchi, M., Alvarado, M. J., and Ng, N. L.: Secondary Organic Aerosol Formation from Reaction of 3-Methylfuran with Nitrate Radicals, ACS Earth Space Chem. 3, 922–934, 2019.
Kerdouci, J., Picquet-Varrault, B., and Doussin, J.-F.: Structure activity
relationship for the gas-phase reactions of NO3 radical with organic
compounds: Update and extension to aldehydes, Atmos. Environ., 84, 363–372,
2014.
Kind, I., Berndt, T., Böge, O., and Rolle, W.: Gas-phase rate constants
for the reaction of NO3 radicals with furan and methyl-substituted
furans, Chem. Phys. Lett., 256, 679–683, 1996.
Kodros, J., Papanastasiou, D., Paglione, M., Masiol, M., and Squizzato, S.:
Rapid dark aging of biomass burning as an overlooked source of oxidized
organic aerosol, P. Natl. Acad. Sci. USA, 117, 33028–33033, 2020.
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.
Krikken, F., Lehner, F., Haustein, K., Drobyshev, I., and van Oldenborgh, G. J.: Attribution of the role of climate change in the forest fires in Sweden 2018, Nat. Hazards Earth Syst. Sci., 21, 2169–2179, https://doi.org/10.5194/nhess-21-2169-2021, 2021.
Kurtén, T., Møller, K. H., Nguyen, T. B., Schwantes, R. H., Misztal,
P. K., Su, L., Wennberg, P. O., Fry J. L., and Kjaergaard, H. G.: Alkoxy
Radical Bond Scissions Explain the Anomalously Low Secondary Organic Aerosol
and Organonitrate Yields From alpha-Pinene + NO3, J. Phys. Chem.
Lett., 8, 2826–2834, 2017.
Kwok, E. S. C. and Atkinson, R.: Estimation of hydroxyl radical reaction
rate constants for gas-phase organic compounds using a structure-reactivity
relationship: An update, Atmos. Environ., 29, 1685–1695,
https://doi.org/10.1016/1352-2310(95)00069-b, 1995.
Lee, J. H. and Tang, I. N.: Absolute rate constants for the hydroxyl radical reactions with ethane, furan, and thiophene at room temperature, J. Chem. Phys., 77, 4459–4463, 1982.
Levy, H.: Photochemistry of the lower troposphere, Planet Space Sci., 20, 919–935, 1972.
Lohmander, P.: Forest fire expansion under global warming conditions:
Multivariate estimation, function properties, and predictions for 29
countries, Central Asian Journal of Environmental Science and Technology
Innovation, 5, 262–276, 2020.
Matsumoto, J.: Kinetics of the reactions of ozone with 2,5-dimethylfuran and
its atmospheric implications, Chem. Lett., 40, 582–583, 2011.
McGillen, M. R., Archibald, A. T., Carey, T., Leather, K. E., Shallcross, D.
E., Wenger, J. C., and Percival, C. J.: Structure-activity relationship
(SAR) for the prediction of gas-phase ozonolysis rate coefficients: an
extension towards heteroatomic unsaturated species, Phys. Chem. Chem. Phys.,
13, 2842–2849, 2011.
McGillen, M. R., Carter, W. P. L., Mellouki, A., Orlando, J. J., Picquet-Varrault, B., and Wallington, T. J.: Database for the kinetics of the gas-phase atmospheric reactions of organic compounds, Earth Syst. Sci. Data, 12, 1203–1216, https://doi.org/10.5194/essd-12-1203-2020, 2020.
Mousavipour, S. H., Ramadan, S., and Shahkolahi, Z: Multichannel RRKM-TST and Direct-Dynamics VTST Study of the Reaction of Hydroxyl Radical with Furan, J. Phys., Chem., 113, 2838–2846, 2009.
Newland, M.: Experimental datasets from Newland et al. (2021, ACP, NO3 chemistry of wildfire emissions: a kinetic study of the gas-phase reactions of furans with the NO3 radical), Zenodo [data set], https://doi.org/10.5281/zenodo.5724967, 2021a.
Newland, M.: Experimental datasets from Newland et al. (2021, ACP, NO3 chemistry of wildfire emissions: a kinetic study of the gas-phase reactions of furans with the NO3 radical), Zenodo [data set], https://doi.org/10.5281/zenodo.5721518, 2021b.
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, 2019.
Newland, M. J., Bryant, D. J., Dunmore, R. E., Bannan, T. J., Acton, W. J. F., Langford, B., Hopkins, J. R., Squires, F. A., Dixon, W., Drysdale, W. S., Ivatt, P. D., Evans, M. J., Edwards, P. M., Whalley, L. K., Heard, D. E., Slater, E. J., Woodward-Massey, R., Ye, C., Mehra, A., Worrall, S. D., Bacak, A., Coe, H., Percival, C. J., Hewitt, C. N., Lee, J. D., Cui, T., Surratt, J. D., Wang, X., Lewis, A. C., Rickard, A. R., and Hamilton, J. F.: Low-NO atmospheric oxidation pathways in a polluted megacity, Atmos. Chem. Phys., 21, 1613–1625, https://doi.org/10.5194/acp-21-1613-2021, 2021.
Novelli, A., Cho, C., Fuchs, H., Hofzumahaus, A., Rohrer, F., Tillmann, R.,
Kiendler-Scharr, A., Wahner, A., and Vereecken, L.: Experimental and
theoretical study on the impact of a nitrate group on the chemistry of
alkoxy radicals, Phys. Chem. Chem. Phys., 23, 5474–5495, 2021.
Parrish, D. D., Lamarque, J. F., Naik, V., Horowitz, L., Shindell, D. T.,
Staehelin, J., Derwent, R., Cooper, O. R., Tanimoto, H., Volz-Thomas, A.,
Gilge, S., Scheel, H. E., Steinbacher, M., and Fröhlich,
M.: Long-term changes in lower tropospheric baseline ozone concentrations:
Comparing chemistry-climate models and observations at northern
midlatitudes, J. Geophys. Res., 119, 5719–5736, https://doi.org/10.1002/2013JD021435,
2014.
Ródenas, M: Software for analysis of Infrared spectra, EUROCHAMP-2020
project, available at: https://data.eurochamp.org/anasoft (last access: 27 January 2022), 2018.
Roman-Leshkov, Y., Barrett, C. J., Liu, Z. Y., and Dumesic, J. A.:
Production of Dimethylfuran for Liquid Fuels from Biomass-derived
Carbohydrates, Nature, 447, 982–985, 2007.
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, 1998.
Smith, D. F., Kleindienst, T. E., and McIver, C. D.: Primary Product
Distributions from the Reaction of OH with m-, p-Xylene, 1,2,4- and
1,3,5-Trimethylbenzene, J. Atmos. Chem., 34, 339–364, 1999.
Sommariva, R., Cox, S., Martin, C., Borońska, K., Young, J., Jimack, P. K., Pilling, M. J., Matthaios, V. N., Nelson, B. S., Newland, M. J., Panagi, M., Bloss, W. J., Monks, P. S., and Rickard, A. R.: AtChem (version 1), an open-source box model for the Master Chemical Mechanism, Geosci. Model Dev., 13, 169–183, https://doi.org/10.5194/gmd-13-169-2020, 2020.
Stewart, G. J., Acton, W. J. F., Nelson, B. S., Vaughan, A. R., Hopkins, J. R., Arya, R., Mondal, A., Jangirh, R., Ahlawat, S., Yadav, L., Sharma, S. K., Dunmore, R. E., Yunus, S. S. M., Hewitt, C. N., Nemitz, E., Mullinger, N., Gadi, R., Sahu, L. K., Tripathi, N., Rickard, A. R., Lee, J. D., Mandal, T. K., and Hamilton, J. F.: Emissions of non-methane volatile organic compounds from combustion of domestic fuels in Delhi, India, Atmos. Chem. Phys., 21, 2383–2406, https://doi.org/10.5194/acp-21-2383-2021, 2021a.
Stewart, G. J., Nelson, B. S., Acton, W. J. F., Vaughan, A. R., Hopkins, J.
R., Yunus, S. S. M., Hewitt, C. N., Nemitz, E., Mullinger, N., Gadi, R.,
Rickard, A. R., Lee, J. D., Mandal, T. K., and Hamilton, J. F.:
Comprehensive organic emission profiles, secondary organic aerosol
production potential, and OH reactivity of domestic fuel combustion in
Delhi, India, Environ. Sci. Atmos., 1, 104–117, https://doi.org/10.1039/D0EA00009D, 2021b.
Stone, D., Whalley, L., and Heard, D.: Tropospheric OH and HO2
radicals: field measurements and model comparisons, Chem. Soc. Rev., 41,
6348–6404, 2012.
Tapia, A., Villanueva, F., Salgado, M. S., Cabañas, B., Martínez, E., and Martín, P.: Atmospheric degradation of 3-methylfuran: kinetic and products study, Atmos. Chem. Phys., 11, 3227–3241, https://doi.org/10.5194/acp-11-3227-2011, 2011.
Wang, J. J., Liu, X. H., Hu, B. C., Lu, G. Z., and Wang, Y. Q.: Efficient
Catalytic Conversion of Lignocellulosic Biomass into Renewable Liquid
Biofuels via Furan Derivatives, RSC Adv., 4, 31101–31107, 2014.
Wang, S., Newland, M. J., Deng, W., Rickard, A. R., Hamilton, J. F., Muñoz, A., Ródenas, M., Vázquez, M. M., Wang, L., and Wang, X.: Aromatic Photo-oxidation, A New Source of Atmospheric Acidity, Environ. Sci. Technol., 54, 7798–7806, https://doi.org/10.1021/acs.est.0c00526, 2020.
Whelan, C. A., Eble, J. Mir, Z. S., Blitz, M. A., Seakins, P. W., Olzmann,
M., and Stone D.: Kinetics of the Reactions of Hydroxyl Radicals with Furan
and Its Alkylated Derivatives 2-Methyl Furan and 2,5-Dimethyl Furan, J. Phys. Chem. A, 124,
7416–7426, 2020.
Wine, P. H. and Thompson, R. J.: Kinetics of OH reactions with furan, thiophene, and tetrahydrothiophene, Int. J. Chem. Kinet., 16, 867–878, 1984.
Winer, A. M., Atkinson, R., and Pitts, J. N.: Gaseous Nitrate Radical: Possible Nighttime Atmospheric Sink for Biogenic Organic Compounds, Science, 224, 156–159, 1984.
Wyche, K. P., Monks, P. S., Ellis, A. M., Cordell, R. L., Parker, A. E., Whyte, C., Metzger, A., Dommen, J., Duplissy, J., Prevot, A. S. H., Baltensperger, U., Rickard, A. R., and Wulfert, F.: Gas phase precursors to anthropogenic secondary organic aerosol: detailed observations of 1,3,5-trimethylbenzene photooxidation, Atmos. Chem. Phys., 9, 635–665, https://doi.org/10.5194/acp-9-635-2009, 2009.
Yuan, Y., Zhao, X., Wang, S., and Wang, L: Atmospheric Oxidation of Furan
and Methyl-Substituted Furans Initiated by Hydroxyl Radicals, J. Phys. Chem.
A, 121, 9306–9319, 2017.
Zhou, L., Ravishankara, A. R., Brown, S. S., Idir, M., Zarzana, K. J.,
Daële, V., and Mellouki, A.: Kinetics of the Reactions of NO3
Radical with Methacrylate Esters, J. Phys. Chem. A, 121, 4464–4474, 2017.
Short summary
Wildfires are increasing in extent and severity, driven by climate change. Such fires emit large amounts of volatile organic compounds (VOCs) to the atmosphere. Many of these, such as the furans studied here, are very reactive and are rapidly converted to other VOCs, which are expected to have negative health effects and to further impact the climate. Here, we establish the importance of the nitrate radical for removing these compounds both during the night and during the day.
Wildfires are increasing in extent and severity, driven by climate change. Such fires emit large...
Altmetrics
Final-revised paper
Preprint