Articles | Volume 24, issue 21
https://doi.org/10.5194/acp-24-12409-2024
© Author(s) 2024. This work is distributed under
the Creative Commons Attribution 4.0 License.
the Creative Commons Attribution 4.0 License.
https://doi.org/10.5194/acp-24-12409-2024
© Author(s) 2024. This work is distributed under
the Creative Commons Attribution 4.0 License.
the Creative Commons Attribution 4.0 License.
Research article
| 
11 Nov 2024
Research article |
| 11 Nov 2024
| 11 Nov 2024
Rapid oxidation of phenolic compounds by O3 and HO●: effects of the air–water interface and mineral dust in tropospheric chemical processes
Yanru Huo
Environment Research Institute, Shandong University, Qingdao 266237, PR China
Department of Atmospheric and Oceanic Sciences, McGill University, 805 Sherbrooke Street West, Montréal, QC H3A 0B9, Canada
Mingxue Li
Department of Civil and Environmental Engineering, The Hong Kong Polytechnic University, Hong Kong SAR, PR China
Xueyu Wang
College of Geography and Environmental Sciences, Zhejiang Normal University, Jinhua 321004, PR China
Jianfei Sun
School of Environmental and Materials Engineering, Yantai University, Yantai 264005, PR China
Yuxin Zhou
Environment Research Institute, Shandong University, Qingdao 266237, PR China
Yuhui Ma
Environment Research Institute, Shandong University, Qingdao 266237, PR China
Maoxia He
CORRESPONDING AUTHOR
Environment Research Institute, Shandong University, Qingdao 266237, PR China
Related authors
No articles found.
Mingxue Li, Men Xia, Chunshui Lin, Yifan Jiang, Weihang Sun, Yurun Wang, Yingnan Zhang, Maoxia He, and Tao Wang
Atmos. Chem. Phys., 25, 3753–3764, https://doi.org/10.5194/acp-25-3753-2025, https://doi.org/10.5194/acp-25-3753-2025, 2025
Short summary
Short summary
Our field campaigns observed a strong diel pattern of chloroacetic acid as well as a strong correlation between its level and that of reactive chlorine species at a coastal site. Using quantum chemical calculations and box model simulation with an updated Master Chemical Mechanism, we found that the formation pathway of chloroacetic acid involved multiphase processes. Our study enhances understanding of atmospheric organic chlorine chemistry and emphasizes the importance of multiphase reactions.
Related subject area
Subject: Aerosols | Research Activity: Atmospheric Modelling and Data Analysis | Altitude Range: Troposphere | Science Focus: Chemistry (chemical composition and reactions)
Modelling of atmospheric variability in gas and aerosols during the ACROSS campaign 2022 of the greater Paris area: evaluation of the meteorology, dynamics and chemistry
Spatial–temporal patterns in anthropogenic and biomass burning emission contributions to air pollution and mortality burden changes in India from 1995 to 2014
A comprehensive global modeling assessment of nitrate heterogeneous formation on desert dust
AERO-MAP: a data compilation and modeling approach to understand spatial variability in fine- and coarse-mode aerosol composition
Long-term trends in aerosol properties derived from AERONET measurements
Impacts of sea ice leads on sea salt aerosols and atmospheric chemistry in the Arctic
Dimethyl sulfide chemistry over the industrial era: comparison of key oxidation mechanisms and long-term observations
Driving factors of aerosol acidity: a new hierarchical quantitative analysis framework and its application in Changzhou, China
Understanding the long-term trend of organic aerosol and the influences from anthropogenic emission and regional climate change in China
Population exposure to outdoor NO2, black carbon, and ultrafine and fine particles over Paris with multi-scale modelling down to the street scale
Predicted impacts of heterogeneous chemical pathways on particulate sulfur over Fairbanks (Alaska), the Northern Hemisphere, and the Contiguous United States
Critical load exceedances for North America and Europe using an ensemble of models and an investigation of causes of environmental impact estimate variability: an AQMEII4 study
Impacts of meteorology and emission reductions on haze pollution during the lockdown in the North China Plain
Impact of mineral dust on the global nitrate aerosol direct and indirect radiative effect
The surface tension and cloud condensation nuclei (CCN) activation of sea spray aerosol particles
Exploring the processes controlling secondary inorganic aerosol: evaluating the global GEOS-Chem simulation using a suite of aircraft campaigns
Atmospheric fate of organosulfates through gas-phase and aqueous-phase reaction with hydroxyl radicals: implications in inorganic sulfate formation
Influence of land cover change on atmospheric organic gases, aerosols, and radiative effects
Quantifying the impacts of marine aerosols over the southeast Atlantic Ocean using a chemical transport model: implications for aerosol–cloud interactions
Quantifying the impact of global nitrate aerosol on tropospheric composition fields and its production from lightning NOx
Source-explicit estimation of brown carbon in the polluted atmosphere over North China Plain: implications for distribution, absorption and direct radiative effect
Uncertainties in the effects of organic aerosol coatings on polycyclic aromatic hydrocarbon concentrations and their estimated health effects
Modeling the contribution of leads to sea spray aerosol in the high Arctic
Trends and Drivers of Soluble Iron Deposition from East Asian Dust to the Northwest Pacific: A Springtime Analysis (2001–2017)
Implications of Reduced-Complexity Aerosol Thermodynamics on Organic Aerosol Mass Concentration and Composition over North America
Importance of aerosol composition and aerosol vertical profiles in global spatial variation in the relationship between PM2.5 and aerosol optical depth
The co-benefits of a low-carbon future for PM2.5 and O3 air pollution in Europe
Assessing the effectiveness of SO2, NOx, and NH3 emission reductions in mitigating winter PM2.5 in Taiwan using CMAQ
Modelling of atmospheric concentrations of fungal spores: a 2-year simulation over France using CHIMERE
Cluster-dynamics-based parameterization for sulfuric acid–dimethylamine nucleation: comparison and selection through box and three-dimensional modeling
Opinion: The Impact of AerChemMIP on Climate and Air Quality Research
Observed and CMIP6-model-simulated organic aerosol response to drought in the contiguous United States during summertime
Cooling radiative forcing effect enhancement of atmospheric amines and mineral particles caused by heterogeneous uptake and oxidation
Source-resolved atmospheric metal emissions, concentrations, and deposition fluxes into the East Asian seas
Analysis of secondary inorganic aerosols over the greater Athens area using the EPISODE–CityChem source dispersion and photochemistry model
Global estimates of ambient reactive nitrogen components during 2000–2100 based on the multi-stage model
The role of naphthalene and its derivatives in the formation of secondary organic aerosol in the Yangtze River Delta region, China
Unveiling the optimal regression model for source apportionment of the oxidative potential of PM10
Investigating the contribution of grown new particles to cloud condensation nuclei with largely varying preexisting particles – Part 2: Modeling chemical drivers and 3-D new particle formation occurrence
Technical note: Influence of different averaging metrics and temporal resolutions on the aerosol pH calculated by thermodynamic modeling
Dual roles of the inorganic aqueous phase on secondary organic aerosol growth from benzene and phenol
Global source apportionment of aerosols into major emission regions and sectors over 1850–2017
Modeling atmospheric brown carbon in the GISS ModelE Earth system model
Observation-constrained kinetic modeling of isoprene SOA formation in the atmosphere
Significant impact of urban tree biogenic emissions on air quality estimated by a bottom-up inventory and chemistry transport modeling
Secondary organic aerosols derived from intermediate-volatility n-alkanes adopt low-viscous phase state
Modeling the drivers of fine PM pollution over Central Europe: impacts and contributions of emissions from different sources
Reaction of SO3 with H2SO4 and its implications for aerosol particle formation in the gas phase and at the air–water interface
Weakened aerosol–radiation interaction exacerbating ozone pollution in eastern China since China's clean air actions
Uncertainties from biomass burning aerosols in air quality models obscure public health impacts in Southeast Asia
Ludovico Di Antonio, Matthias Beekmann, Guillaume Siour, Vincent Michoud, Christopher Cantrell, Astrid Bauville, Antonin Bergé, Mathieu Cazaunau, Servanne Chevaillier, Manuela Cirtog, Joel F. de Brito, Paola Formenti, Cecile Gaimoz, Olivier Garret, Aline Gratien, Valérie Gros, Martial Haeffelin, Lelia N. Hawkins, Simone Kotthaus, Gael Noyalet, Diana L. Pereira, Jean-Eudes Petit, Eva Drew Pronovost, Véronique Riffault, Chenjie Yu, Gilles Foret, Jean-François Doussin, and Claudia Di Biagio
Atmos. Chem. Phys., 25, 4803–4831, https://doi.org/10.5194/acp-25-4803-2025, https://doi.org/10.5194/acp-25-4803-2025, 2025
Short summary
Short summary
The summer of 2022 has been considered a proxy for future climate scenarios due to its hot and dry conditions. In this paper, we use the measurements from the Atmospheric Chemistry of the Suburban Forest (ACROSS) campaign, conducted in the Paris area in June–July 2022, along with observations from existing networks, to evaluate a 3D chemistry transport model (WRF–CHIMERE) simulation. Results are shown to be satisfactory, allowing us to explain the gas and aerosol variability at the campaign sites.
Bin Luo, Yuqiang Zhang, Tao Tang, Hongliang Zhang, Jianlin Hu, Jiangshan Mu, Wenxing Wang, and Likun Xue
Atmos. Chem. Phys., 25, 4767–4783, https://doi.org/10.5194/acp-25-4767-2025, https://doi.org/10.5194/acp-25-4767-2025, 2025
Short summary
Short summary
India is facing a severe air pollution crisis that poses significant health risks, particularly from PM2.5 and O3. Our study reveals rising levels of both pollutants from 1995 to 2014, leading to increased premature mortality. While anthropogenic emissions play a significant role, biomass burning also impacts air quality, in particular seasons and regions in India. This study underscores the urgent need for localized policies to protect public health amid escalating environmental challenges.
Rubén Soussé Villa, Oriol Jorba, María Gonçalves Ageitos, Dene Bowdalo, Marc Guevara, and Carlos Pérez García-Pando
Atmos. Chem. Phys., 25, 4719–4753, https://doi.org/10.5194/acp-25-4719-2025, https://doi.org/10.5194/acp-25-4719-2025, 2025
Short summary
Short summary
Desert dust forms nitrate coatings as it travels through the atmosphere. However, current models that predict this process vary greatly due to different methods and inaccuracies. We examined how nitrate forms in a global model, focusing on how gases condense on dust, the lifespan of different particles, and the impact of alkalinity. Our findings show that models work best when they consider reversible gas condensation with alkalinity. This should lead to better estimates of climate impacts.
Natalie M. Mahowald, Longlei Li, Julius Vira, Marje Prank, Douglas S. Hamilton, Hitoshi Matsui, Ron L. Miller, P. Louis Lu, Ezgi Akyuz, Daphne Meidan, Peter Hess, Heikki Lihavainen, Christine Wiedinmyer, Jenny Hand, Maria Grazia Alaimo, Célia Alves, Andres Alastuey, Paulo Artaxo, Africa Barreto, Francisco Barraza, Silvia Becagli, Giulia Calzolai, Shankararaman Chellam, Ying Chen, Patrick Chuang, David D. Cohen, Cristina Colombi, Evangelia Diapouli, Gaetano Dongarra, Konstantinos Eleftheriadis, Johann Engelbrecht, Corinne Galy-Lacaux, Cassandra Gaston, Dario Gomez, Yenny González Ramos, Roy M. Harrison, Chris Heyes, Barak Herut, Philip Hopke, Christoph Hüglin, Maria Kanakidou, Zsofia Kertesz, Zbigniew Klimont, Katriina Kyllönen, Fabrice Lambert, Xiaohong Liu, Remi Losno, Franco Lucarelli, Willy Maenhaut, Beatrice Marticorena, Randall V. Martin, Nikolaos Mihalopoulos, Yasser Morera-Gómez, Adina Paytan, Joseph Prospero, Sergio Rodríguez, Patricia Smichowski, Daniela Varrica, Brenna Walsh, Crystal L. Weagle, and Xi Zhao
Atmos. Chem. Phys., 25, 4665–4702, https://doi.org/10.5194/acp-25-4665-2025, https://doi.org/10.5194/acp-25-4665-2025, 2025
Short summary
Short summary
Aerosol particles are an important part of the Earth system, but their concentrations are spatially and temporally heterogeneous, as well as being variable in size and composition. Here, we present a new compilation of PM2.5 and PM10 aerosol observations, focusing on the spatial variability across different observational stations, including composition, and demonstrate a method for comparing the data sets to model output.
Zhenyu Zhang, Jing Li, Huizheng Che, Yueming Dong, Oleg Dubovik, Thomas Eck, Pawan Gupta, Brent Holben, Jhoon Kim, Elena Lind, Trailokya Saud, Sachchida Nand Tripathi, and Tong Ying
Atmos. Chem. Phys., 25, 4617–4637, https://doi.org/10.5194/acp-25-4617-2025, https://doi.org/10.5194/acp-25-4617-2025, 2025
Short summary
Short summary
We used ground-based remote sensing data from the Aerosol Robotic Network to examine long-term trends in aerosol characteristics. We found aerosol loadings generally decreased globally, and aerosols became more scattering. These changes are closely related to variations in aerosol compositions, such as decreased anthropogenic emissions over East Asia, Europe, and North America; increased anthropogenic sources over northern India; and increased dust activity over the Arabian Peninsula.
Erin J. Emme and Hannah M. Horowitz
Atmos. Chem. Phys., 25, 4531–4545, https://doi.org/10.5194/acp-25-4531-2025, https://doi.org/10.5194/acp-25-4531-2025, 2025
Short summary
Short summary
There is uncertainty in the sources of Arctic cold-season (November–April) sea salt aerosols. Using a chemical transport model and satellite observations, we quantify Arctic-wide sea salt aerosol emissions from fractures in sea ice, called open sea ice leads, and their atmospheric chemistry impacts for the cold season. We show that sea ice leads contribute to Arctic sea salt aerosols and bromine, especially in under-observed regions.
Ursula A. Jongebloed, Jacob I. Chalif, Linia Tashmim, William C. Porter, Kelvin H. Bates, Qianjie Chen, Erich C. Osterberg, Bess G. Koffman, Jihong Cole-Dai, Dominic A. Winski, David G. Ferris, Karl J. Kreutz, Cameron P. Wake, and Becky Alexander
Atmos. Chem. Phys., 25, 4083–4106, https://doi.org/10.5194/acp-25-4083-2025, https://doi.org/10.5194/acp-25-4083-2025, 2025
Short summary
Short summary
Marine phytoplankton emit dimethyl sulfide (DMS), which forms methanesulfonic acid (MSA) and sulfate. MSA concentrations in ice cores decreased over the industrial era, which has been attributed to pollution-driven changes in DMS chemistry. We use a model to investigate DMS chemistry compared to observations of DMS, MSA, and sulfate. We find that modeled DMS, MSA, and sulfate are influenced by pollution-sensitive oxidant concentrations, characterization of DMS chemistry, and other variables.
Xiaolin Duan, Guangjie Zheng, Chuchu Chen, Qiang Zhang, and Kebin He
Atmos. Chem. Phys., 25, 3919–3928, https://doi.org/10.5194/acp-25-3919-2025, https://doi.org/10.5194/acp-25-3919-2025, 2025
Short summary
Short summary
Aerosol acidity is an important parameter in atmospheric chemistry, while its driving factors, especially chemical profiles versus meteorological conditions, are not yet fully understood. Here, we established a hierarchical quantitative analysis framework to understand the driving factors of aerosol acidity on different timescales. Its application in Changzhou, China, revealed distinct driving factors and corresponding mechanisms of aerosol acidity from annual trends to random residuals.
Wenxin Zhang, Yaman Liu, Man Yue, Xinyi Dong, Kan Huang, and Minghuai Wang
Atmos. Chem. Phys., 25, 3857–3872, https://doi.org/10.5194/acp-25-3857-2025, https://doi.org/10.5194/acp-25-3857-2025, 2025
Short summary
Short summary
Understanding long-term organic aerosol (OA) trends and their driving factors is important for air quality management. Our modeling revealed that OA in China increased by 5.6 % from 1990 to 2019, primarily due to a 32.3 % increase in secondary organic aerosols (SOAs) and an 8.1 % decrease in primary organic aerosols (POAs), both largely driven by changes in anthropogenic emissions. Biogenic SOA increased due to warming but showed little response to changes in anthropogenic nitrogen oxide emissions.
Soo-Jin Park, Lya Lugon, Oscar Jacquot, Youngseob Kim, Alexia Baudic, Barbara D'Anna, Ludovico Di Antonio, Claudia Di Biagio, Fabrice Dugay, Olivier Favez, Véronique Ghersi, Aline Gratien, Julien Kammer, Jean-Eudes Petit, Olivier Sanchez, Myrto Valari, Jérémy Vigneron, and Karine Sartelet
Atmos. Chem. Phys., 25, 3363–3387, https://doi.org/10.5194/acp-25-3363-2025, https://doi.org/10.5194/acp-25-3363-2025, 2025
Short summary
Short summary
To accurately represent the population exposure to outdoor concentrations of pollutants of interest to health (NO2, PM2.5, black carbon, and ultrafine particles), multi-scale modelling down to the street scale is set up and evaluated using measurements from field campaigns. An exposure scaling factor is defined, allowing regional-scale simulations to be corrected to evaluate population exposure. Urban heterogeneities strongly influence NO2, black carbon, and ultrafine particles but less strongly PM2.5.
Sara L. Farrell, Havala O. T. Pye, Robert Gilliam, George Pouliot, Deanna Huff, Golam Sarwar, William Vizuete, Nicole Briggs, Fengkui Duan, Tao Ma, Shuping Zhang, and Kathleen Fahey
Atmos. Chem. Phys., 25, 3287–3312, https://doi.org/10.5194/acp-25-3287-2025, https://doi.org/10.5194/acp-25-3287-2025, 2025
Short summary
Short summary
In this work we implement heterogeneous sulfur chemistry into the Community Multiscale Air Quality (CMAQ) model. This new chemistry accounts for the formation of sulfate via aqueous oxidation of SO2 in aerosol liquid water and the formation of hydroxymethanesulfonate (HMS) – often confused by measurement techniques as sulfate. Model performance in predicting sulfur PM2.5 in Fairbanks, Alaska, and other places that experience dark and cold winters is improved.
Paul A. Makar, Philip Cheung, Christian Hogrefe, Ayodeji Akingunola, Ummugulsum Alyuz, Jesse O. Bash, Michael D. Bell, Roberto Bellasio, Roberto Bianconi, Tim Butler, Hazel Cathcart, Olivia E. Clifton, Alma Hodzic, Ioannis Kioutsioukis, Richard Kranenburg, Aurelia Lupascu, Jason A. Lynch, Kester Momoh, Juan L. Perez-Camanyo, Jonathan Pleim, Young-Hee Ryu, Roberto San Jose, Donna Schwede, Thomas Scheuschner, Mark W. Shephard, Ranjeet S. Sokhi, and Stefano Galmarini
Atmos. Chem. Phys., 25, 3049–3107, https://doi.org/10.5194/acp-25-3049-2025, https://doi.org/10.5194/acp-25-3049-2025, 2025
Short summary
Short summary
The large range of sulfur and nitrogen deposition estimates from air quality models results in a large range of predicted impacts. We used models and deposition diagnostics to identify the processes controlling atmospheric sulfur and nitrogen deposition variability. Controlling factors included the uptake of gases and aerosols by hydrometeors, aerosol inorganic chemistry, particle dry deposition, ammonia bidirectional fluxes, gas deposition via plant cuticles and soil, and land use data.
Lang Liu, Xin Long, Yi Li, Zengliang Zang, Fengwen Wang, Yan Han, Zhier Bao, Yang Chen, Tian Feng, and Jinxin Yang
Atmos. Chem. Phys., 25, 1569–1585, https://doi.org/10.5194/acp-25-1569-2025, https://doi.org/10.5194/acp-25-1569-2025, 2025
Short summary
Short summary
This study uses WRF-Chem to assess how meteorological conditions and emission reductions affected fine particulate matter (PM2.5) in the North China Plain (NCP). It highlights regional disparities: in the northern NCP, adverse weather negated emission reduction effects. In contrast, the southern NCP featured a PM2.5 decrease due to favorable weather and emission reductions. The research highlighted the interaction between emissions, meteorology, and PM2.5.
Alexandros Milousis, Klaus Klingmüller, Alexandra P. Tsimpidi, Jasper F. Kok, Maria Kanakidou, Athanasios Nenes, and Vlassis A. Karydis
Atmos. Chem. Phys., 25, 1333–1351, https://doi.org/10.5194/acp-25-1333-2025, https://doi.org/10.5194/acp-25-1333-2025, 2025
Short summary
Short summary
This study investigates the impact of dust on the global radiative effect of nitrate aerosols. The results indicate both positive and negative regional shortwave and longwave radiative effects due to aerosol–radiation interactions and cloud adjustments. The global average net REari and REaci of nitrate aerosols are −0.11 and +0.17 W m−2, respectively, mainly affecting the shortwave spectrum. Sensitivity simulations evaluated the influence of mineral dust composition and emissions on the results.
Judith Kleinheins, Nadia Shardt, Ulrike Lohmann, and Claudia Marcolli
Atmos. Chem. Phys., 25, 881–903, https://doi.org/10.5194/acp-25-881-2025, https://doi.org/10.5194/acp-25-881-2025, 2025
Short summary
Short summary
We model the cloud condensation nuclei (CCN) activation of sea spray aerosol particles with classical Köhler theory and with a new model approach that takes surface tension lowering into account. We categorize organic compounds into weak, intermediate, and strong surfactants, and we outline for which composition surface tension lowering is important. The results suggest that surface tension lowering allows sea spray aerosol particles in the Aitken mode to be a source of CCN in marine updraughts.
Olivia G. Norman, Colette L. Heald, Solomon Bililign, Pedro Campuzano-Jost, Hugh Coe, Marc N. Fiddler, Jaime R. Green, Jose L. Jimenez, Katharina Kaiser, Jin Liao, Ann M. Middlebrook, Benjamin A. Nault, John B. Nowak, Johannes Schneider, and André Welti
Atmos. Chem. Phys., 25, 771–795, https://doi.org/10.5194/acp-25-771-2025, https://doi.org/10.5194/acp-25-771-2025, 2025
Short summary
Short summary
This study finds that one component of secondary inorganic aerosols, nitrate, is greatly overestimated by a global atmospheric chemistry model compared to observations from 11 flight campaigns. None of the loss and production pathways explored can explain the nitrate bias alone. The model’s inability to capture the variability in the observations remains and requires future investigation to avoid biases in policy-related studies (i.e., air quality, health, climate impacts of these aerosols).
Narcisse Tsona Tchinda, Xiaofan Lv, Stanley Numboniu Tasheh, Julius Numboniu Ghogomu, and Lin Du
EGUsphere, https://doi.org/10.5194/egusphere-2025-29, https://doi.org/10.5194/egusphere-2025-29, 2025
Short summary
Short summary
This study examines the chemical transformation of selected organosulfates by reactions with HO• radicals both in the gas-phase and in the aqueous-phase. Results show that the nature of the substituents on the carbon chain can effectively alter the decomposition of organosulfates and ozone is highlighted as a key oxidant in the intermediate steps of this decomposition. The primary products from these reactions include inorganic sulfate and carbonyl compounds.
Ryan Vella, Matthew Forrest, Andrea Pozzer, Alexandra P. Tsimpidi, Thomas Hickler, Jos Lelieveld, and Holger Tost
Atmos. Chem. Phys., 25, 243–262, https://doi.org/10.5194/acp-25-243-2025, https://doi.org/10.5194/acp-25-243-2025, 2025
Short summary
Short summary
This study examines how land cover changes influence biogenic volatile organic compound (BVOC) emissions and atmospheric states. Using a coupled chemistry–climate–vegetation model, we compare present-day land cover (deforested for crops and grazing) with natural vegetation and an extreme reforestation scenario. We find that vegetation changes significantly impact global BVOC emissions and organic aerosols but have a relatively small effect on total aerosols, clouds, and radiative effects.
Mashiat Hossain, Rebecca M. Garland, and Hannah M. Horowitz
Atmos. Chem. Phys., 24, 14123–14143, https://doi.org/10.5194/acp-24-14123-2024, https://doi.org/10.5194/acp-24-14123-2024, 2024
Short summary
Short summary
Our research examines aerosol dynamics over the southeast Atlantic, a region with significant uncertainties in aerosol radiative forcings. Using the GEOS-Chem model, we find that at cloud altitudes, organic aerosols dominate during the biomass burning season, while sulfate aerosols, driven by marine emissions, prevail during peak primary production. These findings highlight the need for accurate representation of marine aerosols in models to improve climate predictions and reduce uncertainties.
Ashok K. Luhar, Anthony C. Jones, and Jonathan M. Wilkinson
Atmos. Chem. Phys., 24, 14005–14028, https://doi.org/10.5194/acp-24-14005-2024, https://doi.org/10.5194/acp-24-14005-2024, 2024
Short summary
Short summary
Nitrate aerosol is often omitted in global chemistry–climate models, partly due to the chemical complexity of its formation process. Using a global model, we show that including nitrate aerosol significantly impacts tropospheric composition fields, such as ozone, and radiation. Additionally, lightning-generated oxides of nitrogen influence both nitrate aerosol mass concentrations and aerosol size distribution, which has important implications for radiative fluxes and indirect aerosol effects.
Jiamao Zhou, Jiarui Wu, Xiaoli Su, Ruonan Wang, Xia Li, Qian Jiang, Ting Zhang, Wenting Dai, Junji Cao, Xuexi Tie, and Guohui Li
EGUsphere, https://doi.org/10.5194/egusphere-2024-3468, https://doi.org/10.5194/egusphere-2024-3468, 2024
Short summary
Short summary
Brown carbon (BrC) is a type of airborne particle produced from various combustion sources which is light absorption. Historically, climate models have categorizing organic particles as either non-absorbing or purely reflective. Our study shows that BrC can reduce the usual cooling effect of organic particles. While BrC is often linked to biomass burning, however, BrC from fossil fuels contributes significantly to atmospheric heating.
Sijia Lou, Manish Shrivastava, Alexandre Albinet, Sophie Tomaz, Deepchandra Srivastava, Olivier Favez, Huizhong Shen, and Aijun Ding
EGUsphere, https://doi.org/10.5194/egusphere-2024-3269, https://doi.org/10.5194/egusphere-2024-3269, 2024
Short summary
Short summary
PAHs, emitted from incomplete combustion, pose serious health risks due to their carcinogenic properties. This research demonstrates that viscous organic aerosol coatings significantly hinder PAH oxidation, with spatial distributions sensitive to the degradation modelling approach. Our findings underscore the importance of accurately modelling these processes for risk assessments, highlighting the need to consider both fresh and oxidized PAHs in evaluating human exposure and health risks.
Rémy Lapere, Louis Marelle, Pierre Rampal, Laurent Brodeau, Christian Melsheimer, Gunnar Spreen, and Jennie L. Thomas
Atmos. Chem. Phys., 24, 12107–12132, https://doi.org/10.5194/acp-24-12107-2024, https://doi.org/10.5194/acp-24-12107-2024, 2024
Short summary
Short summary
Elongated open-water areas in sea ice, called leads, can release marine aerosols into the atmosphere. In the Arctic, this source of atmospheric particles could play an important role for climate. However, the amount, seasonality and spatial distribution of such emissions are all mostly unknown. Here, we propose a first parameterization for sea spray aerosols emitted through leads in sea ice and quantify their impact on aerosol populations in the high Arctic.
Hanzheng Zhu, Yaman Liu, Man Yue, Shihui Feng, Pingqing Fu, Kan Huang, Xinyi Dong, and Minghuai Wang
EGUsphere, https://doi.org/10.5194/egusphere-2024-2293, https://doi.org/10.5194/egusphere-2024-2293, 2024
Short summary
Short summary
Dust soluble iron deposition from East Asia plays an important role in the marine ecology of the Northwest Pacific. Using the developed model, our findings highlight a dual trend: a decrease in the overall deposition of soluble iron from dust, but an increase in the solubility of the iron itself due to the enhanced atmospheric processing. It underscores the critical roles of both dust emission and atmospheric processing in soluble iron deposition and marine ecology.
Camilo Serrano Damha, Kyle Gorkowski, and Andreas Zuend
EGUsphere, https://doi.org/10.5194/egusphere-2024-2712, https://doi.org/10.5194/egusphere-2024-2712, 2024
Short summary
Short summary
Organic aerosol water content impacts the gas–particle partitioning of semivolatile organics. We used an aerosol thermodynamic model in the GEOS-Chem chemical transport model to efficiently account for organic aerosol water uptake and nonideal mixing. This led to a substantial enhancement in mean organic aerosol mass concentration with respect to GEOS-Chem's most advanced scheme. The water-sensitive scheme could be a valuable tool for reconciling model estimations and field measurements.
Haihui Zhu, Randall V. Martin, Aaron van Donkelaar, Melanie S. Hammer, Chi Li, Jun Meng, Christopher R. Oxford, Xuan Liu, Yanshun Li, Dandan Zhang, Inderjeet Singh, and Alexei Lyapustin
Atmos. Chem. Phys., 24, 11565–11584, https://doi.org/10.5194/acp-24-11565-2024, https://doi.org/10.5194/acp-24-11565-2024, 2024
Short summary
Short summary
Ambient fine particulate matter (PM2.5) contributes to 4 million deaths globally each year. Satellite remote sensing of aerosol optical depth (AOD), coupled with a simulated PM2.5–AOD relationship (η), can provide global PM2.5 estimations. This study aims to understand the spatial patterns and driving factors of η to guide future measurement and modeling efforts. We quantified η globally and regionally and found that its spatial variation is strongly influenced by aerosol composition.
Connor J. Clayton, Daniel R. Marsh, Steven T. Turnock, Ailish M. Graham, Kirsty J. Pringle, Carly L. Reddington, Rajesh Kumar, and James B. McQuaid
Atmos. Chem. Phys., 24, 10717–10740, https://doi.org/10.5194/acp-24-10717-2024, https://doi.org/10.5194/acp-24-10717-2024, 2024
Short summary
Short summary
We demonstrate that strong climate mitigation could improve air quality in Europe; however, less ambitious mitigation does not result in these co-benefits. We use a high-resolution atmospheric chemistry model. This allows us to demonstrate how this varies across European countries and analyse the underlying chemistry. This may help policy-facing researchers understand which sectors and regions need to be prioritised to achieve strong air quality co-benefits of climate mitigation.
Ping-Chieh Huang, Hui-Ming Hung, Hsin-Chih Lai, and Charles C.-K. Chou
Atmos. Chem. Phys., 24, 10759–10772, https://doi.org/10.5194/acp-24-10759-2024, https://doi.org/10.5194/acp-24-10759-2024, 2024
Short summary
Short summary
Models were used to study ways to reduce particulate matter (PM) pollution in Taiwan during winter. After considering various factors, such as physical processes and chemical reactions, we found that reducing NOx or NH3 emissions is more effective at mitigating PM2.5 than reducing SO2 emissions. When considering both efficiency and cost, reducing NH3 emissions seems to be a more suitable policy for the studied environment in Taiwan.
Matthieu Vida, Gilles Foret, Guillaume Siour, Florian Couvidat, Olivier Favez, Gaelle Uzu, Arineh Cholakian, Sébastien Conil, Matthias Beekmann, and Jean-Luc Jaffrezo
Atmos. Chem. Phys., 24, 10601–10615, https://doi.org/10.5194/acp-24-10601-2024, https://doi.org/10.5194/acp-24-10601-2024, 2024
Short summary
Short summary
We simulate 2 years of atmospheric fungal spores over France and use observations of polyols and primary biogenic factors from positive matrix factorisation. The representation of emissions taking into account a proxy for vegetation surface and specific humidity enables us to reproduce very accurately the seasonal cycle of fungal spores. Furthermore, we estimate that fungal spores can account for 20 % of PM10 and 40 % of the organic fraction of PM10 over vegetated areas in summer.
Jiewen Shen, Bin Zhao, Shuxiao Wang, An Ning, Yuyang Li, Runlong Cai, Da Gao, Biwu Chu, Yang Gao, Manish Shrivastava, Jingkun Jiang, Xiuhui Zhang, and Hong He
Atmos. Chem. Phys., 24, 10261–10278, https://doi.org/10.5194/acp-24-10261-2024, https://doi.org/10.5194/acp-24-10261-2024, 2024
Short summary
Short summary
We extensively compare various cluster-dynamics-based parameterizations for sulfuric acid–dimethylamine nucleation and identify a newly developed parameterization derived from Atmospheric Cluster Dynamic Code (ACDC) simulations as being the most reliable one. This study offers a valuable reference for developing parameterizations of other nucleation systems and is meaningful for the accurate quantification of the environmental and climate impacts of new particle formation.
Paul T. Griffiths, Laura J. Wilcox, Robert J. Allen, Vaishali Naik, Fiona M. O'Connor, Michael J. Prather, Alexander T. Archibald, Florence Brown, Makoto Deushi, William Collins, Stephanie Fiedler, Naga Oshima, Lee T. Murray, Christopher J. Smith, Steven T. Turnock, Duncan Watson-Parris, and Paul J. Young
EGUsphere, https://doi.org/10.5194/egusphere-2024-2528, https://doi.org/10.5194/egusphere-2024-2528, 2024
Short summary
Short summary
The Aerosol Chemistry Model Intercomparison Project (AerChemMIP) aimed to quantify the climate and air quality impacts of aerosols and chemically reactive gases. In this paper, we review its contribution to AR6, and the wider understanding of the role of these species in climate and climate change. We identify remaining challenges concluding with recommendations aimed to improve the utility and uptake of climate model data to address the role of short-lived climate forcers in the Earth system.
Wei Li and Yuxuan Wang
Atmos. Chem. Phys., 24, 9339–9353, https://doi.org/10.5194/acp-24-9339-2024, https://doi.org/10.5194/acp-24-9339-2024, 2024
Short summary
Short summary
Droughts immensely increased organic aerosol (OA) in the contiguous United States in summer (1998–2019), notably in the Pacific Northwest (PNW) and Southeast (SEUS). The OA rise in the SEUS is driven by the enhanced formation of epoxydiol-derived secondary organic aerosol due to the increase in biogenic volatile organic compounds and sulfate, while in the PNW, it is caused by wildfires. A total of 10 climate models captured the OA increase in the PNW yet greatly underestimated it in the SEUS.
Weina Zhang, Jianhua Mai, Zhichao Fan, Yongpeng Ji, Yuemeng Ji, Guiying Li, Yanpeng Gao, and Taicheng An
Atmos. Chem. Phys., 24, 9019–9030, https://doi.org/10.5194/acp-24-9019-2024, https://doi.org/10.5194/acp-24-9019-2024, 2024
Short summary
Short summary
This study reveals heterogeneous oxidation causes further radiative forcing effect (RFE) enhancement of amine–mineral mixed particles. Note that RFE increment is higher under clean conditions than that under polluted conditions, which is contributed to high-oxygen-content products. The enhanced RFE of amine–mineral particles caused by heterogenous oxidation is expected to alleviate warming effects.
Shenglan Jiang, Yan Zhang, Guangyuan Yu, Zimin Han, Junri Zhao, Tianle Zhang, and Mei Zheng
Atmos. Chem. Phys., 24, 8363–8381, https://doi.org/10.5194/acp-24-8363-2024, https://doi.org/10.5194/acp-24-8363-2024, 2024
Short summary
Short summary
This study aims to provide gridded data on sea-wide concentrations, deposition fluxes, and soluble deposition fluxes with detailed source categories of metals using the modified CMAQ model. We developed a monthly emission inventory of six metals – Fe, Al, V, Ni, Zn, and Cu – from terrestrial anthropogenic, ship, and dust sources in East Asia in 2017. Our results reveal the contribution of each source to the emissions, concentrations, and deposition fluxes of metals in the East Asian seas.
Stelios Myriokefalitakis, Matthias Karl, Kim A. Weiss, Dimitris Karagiannis, Eleni Athanasopoulou, Anastasia Kakouri, Aikaterini Bougiatioti, Eleni Liakakou, Iasonas Stavroulas, Georgios Papangelis, Georgios Grivas, Despina Paraskevopoulou, Orestis Speyer, Nikolaos Mihalopoulos, and Evangelos Gerasopoulos
Atmos. Chem. Phys., 24, 7815–7835, https://doi.org/10.5194/acp-24-7815-2024, https://doi.org/10.5194/acp-24-7815-2024, 2024
Short summary
Short summary
A state-of-the-art thermodynamic model has been coupled with the city-scale chemistry transport model EPISODE–CityChem to investigate the equilibrium between the inorganic gas and aerosol phases over the greater Athens area, Greece. The simulations indicate that the formation of nitrates in an urban environment is significantly affected by local nitrogen oxide emissions, as well as ambient temperature, relative humidity, photochemical activity, and the presence of non-volatile cations.
Rui Li, Yining Gao, Lijia Zhang, Yubing Shen, Tianzhao Xu, Wenwen Sun, and Gehui Wang
Atmos. Chem. Phys., 24, 7623–7636, https://doi.org/10.5194/acp-24-7623-2024, https://doi.org/10.5194/acp-24-7623-2024, 2024
Short summary
Short summary
A three-stage model was developed to obtain the global maps of reactive nitrogen components during 2000–2100. The results implied that cross-validation R2 values of four species showed satisfactory performance (R2 > 0.55). Most reactive nitrogen components, except NH3, in China showed increases during 2000–2013. In the future scenarios, SSP3-7.0 (traditional-energy scenario) and SSP1-2.6 (carbon neutrality scenario) showed the highest and lowest reactive nitrogen component concentrations.
Fei Ye, Jingyi Li, Yaqin Gao, Hongli Wang, Jingyu An, Cheng Huang, Song Guo, Keding Lu, Kangjia Gong, Haowen Zhang, Momei Qin, and Jianlin Hu
Atmos. Chem. Phys., 24, 7467–7479, https://doi.org/10.5194/acp-24-7467-2024, https://doi.org/10.5194/acp-24-7467-2024, 2024
Short summary
Short summary
Naphthalene (Nap) and methylnaphthalene (MN) are key precursors of secondary organic aerosol (SOA), yet their sources and sinks are often inadequately represented in air quality models. In this study, we incorporated detailed emissions, gas-phase chemistry, and SOA parameterization of Nap and MN into CMAQ to address this issue. The findings revealed remarkably high SOA formation potentials for these compounds despite their low emissions in the Yangtze River Delta region during summer.
Vy Dinh Ngoc Thuy, Jean-Luc Jaffrezo, Ian Hough, Pamela A. Dominutti, Guillaume Salque Moreton, Grégory Gille, Florie Francony, Arabelle Patron-Anquez, Olivier Favez, and Gaëlle Uzu
Atmos. Chem. Phys., 24, 7261–7282, https://doi.org/10.5194/acp-24-7261-2024, https://doi.org/10.5194/acp-24-7261-2024, 2024
Short summary
Short summary
The capacity of particulate matter (PM) to generate reactive oxygen species in vivo is represented by oxidative potential (OP). This study focuses on finding the appropriate model to evaluate the oxidative character of PM sources in six sites using the PM sources and OP. Eight regression techniques are introduced to assess the OP of PM. The study highlights the importance of selecting a model according to the input data characteristics and establishes some recommendations for the procedure.
Ming Chu, Xing Wei, Shangfei Hai, Yang Gao, Huiwang Gao, Yujiao Zhu, Biwu Chu, Nan Ma, Juan Hong, Yele Sun, and Xiaohong Yao
Atmos. Chem. Phys., 24, 6769–6786, https://doi.org/10.5194/acp-24-6769-2024, https://doi.org/10.5194/acp-24-6769-2024, 2024
Short summary
Short summary
We used a 20-bin WRF-Chem model to simulate NPF events in the NCP during a three-week observational period in the summer of 2019. The model was able to reproduce the observations during June 29–July 6, which was characterized by a high frequency of NPF occurrence.
Haoqi Wang, Xiao Tian, Wanting Zhao, Jiacheng Li, Haoyu Yu, Yinchang Feng, and Shaojie Song
Atmos. Chem. Phys., 24, 6583–6592, https://doi.org/10.5194/acp-24-6583-2024, https://doi.org/10.5194/acp-24-6583-2024, 2024
Short summary
Short summary
pH is a key property of ambient aerosols, which affect many atmospheric processes. As aerosol pH is a non-conservative parameter, diverse averaging metrics and temporal resolutions may influence the pH values calculated by thermodynamic models. This technical note seeks to quantitatively evaluate the average pH using varied metrics and resolutions. The ultimate goal is to establish standardized reporting practices in future research endeavors.
Jiwon Choi, Myoseon Jang, and Spencer Blau
Atmos. Chem. Phys., 24, 6567–6582, https://doi.org/10.5194/acp-24-6567-2024, https://doi.org/10.5194/acp-24-6567-2024, 2024
Short summary
Short summary
Persistent phenoxy radical (PPR), formed by phenol gas oxidation and its aqueous reaction, catalytically destroys O3 and retards secondary organic aerosol (SOA) growth. Explicit gas mechanisms including the formation of PPR and low-volatility products from the oxidation of phenol or benzene are applied to the UNIPAR model to predict SOA mass via multiphase reactions of precursors. Aqueous reactions of reactive organics increase SOA mass but retard SOA growth via heterogeneously formed PPR.
Yang Yang, Shaoxuan Mou, Hailong Wang, Pinya Wang, Baojie Li, and Hong Liao
Atmos. Chem. Phys., 24, 6509–6523, https://doi.org/10.5194/acp-24-6509-2024, https://doi.org/10.5194/acp-24-6509-2024, 2024
Short summary
Short summary
The variations in anthropogenic aerosol concentrations and source contributions and their subsequent radiative impact in major emission regions during historical periods are quantified based on an aerosol-tagging system in E3SMv1. Due to the industrial development and implementation of economic policies, sources of anthropogenic aerosols show different variations, which has important implications for pollution prevention and control measures and decision-making for global collaboration.
Maegan A. DeLessio, Kostas Tsigaridis, Susanne E. Bauer, Jacek Chowdhary, and Gregory L. Schuster
Atmos. Chem. Phys., 24, 6275–6304, https://doi.org/10.5194/acp-24-6275-2024, https://doi.org/10.5194/acp-24-6275-2024, 2024
Short summary
Short summary
This study presents the first explicit representation of brown carbon aerosols in the GISS ModelE Earth system model (ESM). Model sensitivity to a range of brown carbon parameters and model performance compared to AERONET and MODIS retrievals of total aerosol properties were assessed. A summary of best practices for incorporating brown carbon into ModelE is also included.
Chuanyang Shen, Xiaoyan Yang, Joel Thornton, John Shilling, Chenyang Bi, Gabriel Isaacman-VanWertz, and Haofei Zhang
Atmos. Chem. Phys., 24, 6153–6175, https://doi.org/10.5194/acp-24-6153-2024, https://doi.org/10.5194/acp-24-6153-2024, 2024
Short summary
Short summary
In this work, a condensed multiphase isoprene oxidation mechanism was developed to simulate isoprene SOA formation from chamber and field studies. Our results show that the measured isoprene SOA mass concentrations can be reasonably reproduced. The simulation results indicate that multifunctional low-volatility products contribute significantly to total isoprene SOA. Our findings emphasize that the pathways to produce these low-volatility species should be considered in models.
Alice Maison, Lya Lugon, Soo-Jin Park, Alexia Baudic, Christopher Cantrell, Florian Couvidat, Barbara D'Anna, Claudia Di Biagio, Aline Gratien, Valérie Gros, Carmen Kalalian, Julien Kammer, Vincent Michoud, Jean-Eudes Petit, Marwa Shahin, Leila Simon, Myrto Valari, Jérémy Vigneron, Andrée Tuzet, and Karine Sartelet
Atmos. Chem. Phys., 24, 6011–6046, https://doi.org/10.5194/acp-24-6011-2024, https://doi.org/10.5194/acp-24-6011-2024, 2024
Short summary
Short summary
This study presents the development of a bottom-up inventory of urban tree biogenic emissions. Emissions are computed for each tree based on their location and characteristics and are integrated in the regional air quality model WRF-CHIMERE. The impact of these biogenic emissions on air quality is quantified for June–July 2022. Over Paris city, urban trees increase the concentrations of particulate organic matter by 4.6 %, of PM2.5 by 0.6 %, and of ozone by 1.0 % on average over 2 months.
Tommaso Galeazzo, Bernard Aumont, Marie Camredon, Richard Valorso, Yong B. Lim, Paul J. Ziemann, and Manabu Shiraiwa
Atmos. Chem. Phys., 24, 5549–5565, https://doi.org/10.5194/acp-24-5549-2024, https://doi.org/10.5194/acp-24-5549-2024, 2024
Short summary
Short summary
Secondary organic aerosol (SOA) derived from n-alkanes is a major component of anthropogenic particulate matter. We provide an analysis of n-alkane SOA by chemistry modeling, machine learning, and laboratory experiments, showing that n-alkane SOA adopts low-viscous semi-solid or liquid states. Our results indicate few kinetic limitations of mass accommodation in SOA formation, supporting the application of equilibrium partitioning for simulating n-alkane SOA in large-scale atmospheric models.
Lukáš Bartík, Peter Huszár, Jan Karlický, Ondřej Vlček, and Kryštof Eben
Atmos. Chem. Phys., 24, 4347–4387, https://doi.org/10.5194/acp-24-4347-2024, https://doi.org/10.5194/acp-24-4347-2024, 2024
Short summary
Short summary
The presented study deals with the attribution of fine particulate matter (PM2.5) concentrations to anthropogenic emissions over Central Europe using regional-scale models. It calculates the present-day contributions of different emissions sectors to concentrations of PM2.5 and its secondary components. Moreover, the study investigates the effect of chemical nonlinearities by using multiple source attribution methods and secondary organic aerosol calculation methods.
Rui Wang, Yang Cheng, Shasha Chen, Rongrong Li, Yue Hu, Xiaokai Guo, Tianlei Zhang, Fengmin Song, and Hao Li
Atmos. Chem. Phys., 24, 4029–4046, https://doi.org/10.5194/acp-24-4029-2024, https://doi.org/10.5194/acp-24-4029-2024, 2024
Short summary
Short summary
We used quantum chemical calculations, Born–Oppenheimer molecular dynamics simulations, and the ACDC kinetic model to characterize SO3–H2SO4 interaction in the gas phase and at the air–water interface and to study the effect of H2S2O7 on H2SO4–NH3-based clusters. The work expands our understanding of new pathways for the loss of SO3 in acidic polluted areas and helps reveal some missing sources of NPF in metropolitan industrial regions and understand the atmospheric organic–sulfur cycle better.
Hao Yang, Lei Chen, Hong Liao, Jia Zhu, Wenjie Wang, and Xin Li
Atmos. Chem. Phys., 24, 4001–4015, https://doi.org/10.5194/acp-24-4001-2024, https://doi.org/10.5194/acp-24-4001-2024, 2024
Short summary
Short summary
The present study quantifies the response of aerosol–radiation interaction (ARI) to anthropogenic emission reduction from 2013 to 2017, with the main focus on the contribution to changed O3 concentrations over eastern China both in summer and winter using the WRF-Chem model. The weakened ARI due to decreased anthropogenic emission aggravates the summer (winter) O3 pollution by +0.81 ppb (+0.63 ppb), averaged over eastern China.
Margaret R. Marvin, Paul I. Palmer, Fei Yao, Mohd Talib Latif, and Md Firoz Khan
Atmos. Chem. Phys., 24, 3699–3715, https://doi.org/10.5194/acp-24-3699-2024, https://doi.org/10.5194/acp-24-3699-2024, 2024
Short summary
Short summary
We use an atmospheric chemistry model to investigate aerosols emitted from fire activity across Southeast Asia. We find that the limited nature of measurements in this region leads to large uncertainties that significantly hinder the model representation of these aerosols and their impacts on air quality. As a result, the number of monthly attributable deaths is underestimated by as many as 4500, particularly in March at the peak of the mainland burning season.
Cited articles
Aracri, E., Tzanov, T., and Vidal, T.: Use of Cyclic Voltammetry as an Effective Tool for Selecting Efficient Enhancers for Oxidative Bioprocesses: Importance of pH, Ind. Eng. Chem. Res., 52, 1455–1463, https://doi.org/10.1021/ie3027586, 2013.
Arciva, S., Niedek, C., Mavis, C., Yoon, M., Sanchez, M. E., Zhang, Q., and Anastasio, C.: Aqueous ⚫OH Oxidation of Highly Substituted Phenols as a Source of Secondary Organic Aerosol, Environ. Sci. Technol., 56, 9959–9967, https://doi.org/10.1021/acs.est.2c02225, 2022.
Atkinson, R.: Kinetics and mechanisms of the gas-phase reactions of the hydroxyl radical with organic compounds under atmospheric conditions, Chem. Rev, 86, 69–201, https://doi.org/10.1021/cr00071a004, 1986.
Bai, F.-Y., Ni, S., Ren, Y., Tang, Y.-Z., Zhao, Z., and Pan, X.-M.: DFT analysis on the removal of dimethylbenzoquinones in atmosphere and water environments: ⚫OH-initiated oxidation and captured by (TiO2)n clusters (n = 1–6), J. Haz. Mat., 386, 121636, https://doi.org/10.1016/j.jhazmat.2019.121636, 2020.
Banerjee, S., Gnanamani, E., Yan, X., and Zare, R. N.: Can all bulk-phase reactions be accelerated in microdroplets?, Analyst, 142, 1399–1402, https://doi.org/10.1039/C6AN02225A, 2017.
Bond, T. C., Streets, D. G., Yarber, K. F., Nelson, S. M., Woo, J.-H., and Klimont, Z.: A technology-based global inventory of black and organic carbon emissions from combustion, J. Geophys. Res.-Atoms., 109, D14203, https://doi.org/10.1029/2003JD003697, 2004.
Cao, H., Wang, K., Yang, Z., Wu, S., and Han, D.: Quantum chemical study on the ozonolysis mechanism of guaiacol and the structure-reactivity relationship of phenols with hydroxyl, methoxy, and methyl substituents, Chem. Eng. J., 420, 127629, https://doi.org/10.1016/j.cej.2020.127629, 2021.
Carena, L., Zoppi, B., Sordello, F., Fabbri, D., Minella, M., and Minero, C.: Phototransformation of Vanillin in Artificial Snow by Direct Photolysis and Mediated by Nitrite, Environ. Sci. Technol., 57, 8785–8795, https://doi.org/10.1021/acs.est.3c01931, 2023.
Chen, C., Chen, H., Yu, J., Han, C., Yan, G., and Guo, S.: p-Nitrophenol Removal by Bauxite Ore Assisted Ozonation and its Catalytic Potential, CLEAN – Soil, Air, Water, 43, 1010–1017, https://doi.org/10.1002/clen.201400330, 2015.
Chen, J., Li, C., Ristovski, Z., Milic, A., Gu, Y., Islam, M. S., Wang, S., Hao, J., Zhang, H., and He, C.: A review of biomass burning: Emissions and impacts on air quality, health and climate in China, Sci. Total Environ., 579, 1000–1034, https://doi.org/10.1016/j.scitotenv.2016.11.025, 2017.
Chen, P., Li, Y., Zhang, Y., Xue, C., Hopke, P. K., and Li, X.: Dynamic Changes of Composition of Particulate Matter Emissions during Residential Biomass Combustion, Environ. Sci. Technol., 57, 15193–15202, https://doi.org/10.1021/acs.est.3c05412, 2023.
Diehl, B. G., Brown, N. R., Frantz, C. W., Lumadue, M. R., and Cannon, F.: Effects of pyrolysis temperature on the chemical composition of refined softwood and hardwood lignins, Carbon, 60, 531–537, https://doi.org/10.1016/j.carbon.2013.04.087, 2013.
Finewax, Z., de Gouw, J. A., and Ziemann, P. J.: Identification and Quantification of 4-Nitrocatechol Formed from OH and NO3 Radical-Initiated Reactions of Catechol in Air in the Presence of NOx: Implications for Secondary Organic Aerosol Formation from Biomass Burning, Environ. Sci. Technol., 52, 1981–1989, https://doi.org/10.1021/acs.est.7b05864, 2018.
Gao, Y., Li, G., Qin, Y., Ji, Y., Mai, B., and An, T.: New theoretical insight into indirect photochemical transformation of fragrance nitro-musks: Mechanisms, eco-toxicity and health effects, Environ. Int., 129, 68–75, https://doi.org/10.1016/j.envint.2019.05.020, 2019.
Go, B. R., Li, Y. J., Huang, D. D., Wang, Y., and Chan, C. K.: Comparison of aqueous secondary organic aerosol (aqSOA) product distributions from guaiacol oxidation by non-phenolic and phenolic methoxybenzaldehydes as photosensitizers in the absence and presence of ammonium nitrate, Atmos. Chem. Phys., 23, 2859–2875, https://doi.org/10.5194/acp-23-2859-2023, 2023.
Grassian, V. H.: New Directions: Nanodust – A source of metals in the atmospheric environment?, Atmos. Environ., 43, 4666–4667, https://doi.org/10.1016/j.atmosenv.2009.06.032, 2009.
Guzman, M. I., Pillar-Little, E. A., and Eugene, A. J.: Interfacial Oxidative Oligomerization of Catechol, ACS Omega, 7, 36009–36016, https://doi.org/10.1021/acsomega.2c05290, 2022.
Hawthorne, S. B., Krieger, M. S., Miller, D. J., and Mathiason, M. B.: Collection and quantitation of methoxylated phenol tracers for atmospheric pollution from residential wood stoves, Environ. Sci. Technol., 23, 470–475, https://doi.org/10.1021/es00181a013, 1989.
Henry, F., Coeur-Tourneur, C., Ledoux, F., Tomas, A., and Menu, D.: Secondary organic aerosol formation from the gas phase reaction of hydroxyl radicals with m-, o- and p-cresol, Atmos. Environ., 42, 3035–3045, https://doi.org/10.1016/j.atmosenv.2007.12.043, 2008.
Hub, J. S., de Groot, B. L., and van der Spoel, D.: g_wham – A Free Weighted Histogram Analysis Implementation Including Robust Error and Autocorrelation Estimates, J. Chem. Theory Comput., 6, 3713–3720, https://doi.org/10.1021/ct100494z, 2010.
Humphrey, W., Dalke, A., and Schulten, K.: VMD: Visual molecular dynamics, J. Mol. Graph. Model., 14, 33–38, https://doi.org/10.1016/0263-7855(96)00018-5, 1996.
Ito, A. and Penner, J. E.: Historical emissions of carbonaceous aerosols from biomass and fossil fuel burning for the period 1870–2000, Global Biogeochem. Cy., 19, GB2028, https://doi.org/10.1029/2004GB002374, 2005.
Jämbeck, J. P. and Lyubartsev, A. P.: Update to the general amber force field for small solutes with an emphasis on free energies of hydration, J. Phys. Chem. B, 118, 3793–3804, https://doi.org/10.1021/jp4111234, 2014.
Jiang, G., Nowakowski, D. J., and Bridgwater, A. V.: Effect of the Temperature on the Composition of Lignin Pyrolysis Products, Energ. Fuel., 24, 4470–4475, https://doi.org/10.1021/ef100363c, 2010.
Jiang, W., Niedek, C., Anastasio, C., and Zhang, Q.: Photoaging of phenolic secondary organic aerosol in the aqueous phase: evolution of chemical and optical properties and effects of oxidants, Atmos. Chem. Phys., 23, 7103–7120, https://doi.org/10.5194/acp-23-7103-2023, 2023.
Kibet, J., Khachatryan, L., and Dellinger, B.: Molecular Products and Radicals from Pyrolysis of Lignin, Environ. Sci. Technol., 46, 12994–13001, https://doi.org/10.1021/es302942c, 2012.
Kroflič, A., Hu, M., Grilc, M., and Grgić, I.: Underappreciated and Complex Role of Nitrous Acid in Aromatic Nitration under Mild Environmental Conditions: The Case of Activated Methoxyphenols, Environ. Sci. Technol., 52, 13756–13765, https://doi.org/10.1021/acs.est.8b01903, 2018.
Kumar, S., Rosenberg, J. M., Bouzida, D., Swendsen, R. H., and Kollman, P. A.: THE weighted histogram analysis method for free-energy calculations on biomolecules. I. The method, J. Comput. Chem., 13, 1011–1021, https://doi.org/10.1002/jcc.540130812, 1992.
Kusaka, R., Nihonyanagi, S., and Tahara, T.: The photochemical reaction of phenol becomes ultrafast at the air–water interface, Nat. Chem., 13, 306–311, https://doi.org/10.1038/s41557-020-00619-5, 2021.
Lee, J. K., Banerjee, S., Nam, H. G., and Zare, R. N.: Acceleration of reaction in charged microdroplets, Q. Rev. Biophys., 48, 437–444, https://doi.org/10.1017/S0033583515000086, 2015a.
Lee, J. K., Kim, S., Nam, H. G., and Zare, R. N.: Microdroplet fusion mass spectrometry for fast reaction kinetics, P. Natl. Acad. Sci. USA, 112, 3898–3903, https://doi.org/10.1073/pnas.1503689112, 2015b.
Lelieveld, J., Gromov, S., Pozzer, A., and Taraborrelli, D.: Global tropospheric hydroxyl distribution, budget and reactivity, Atmos. Chem. Phys., 16, 12477–12493, https://doi.org/10.5194/acp-16-12477-2016, 2016.
Li, M., Wang, X., Zhao, Y., Du, P., Li, H., Li, J., Shen, H., Liu, Z., Jiang, Y., Chen, J., Bi, Y., Zhao, Y., Xue, L., Wang, Y., Chen, J., and Wang, W.: Atmospheric Nitrated Phenolic Compounds in Particle, Gaseous, and Aqueous Phases During Cloud Events at a Mountain Site in North China: Distribution Characteristics and Aqueous-Phase Formation, J. Geophys. Res.-Atoms., 127, e2022JD037130, https://doi.org/10.1029/2022JD037130, 2022.
Liao, Y., Koelewijn, S.-F., Van den Bossche, G., Van Aelst, J., Van den Bosch, S., Renders, T., Navare, K., Nicolaï, T., Van Aelst, K., Maesen, M., Matsushima, H., Thevelein, J. M., Van Acker, K., Lagrain, B., Verboekend, D., and Sels, B. F.: A Sustainable Wood Biorefinery for Low-Carbon Footprint Chemicals Production, Science, 367, 1385–1390, https://doi.org/10.1126/science.aau1567, 2020.
Lin, P.-C., Wu, Z.-H., Chen, M.-S., Li, Y.-L., Chen, W.-R., Huang, T.-P., Lee, Y.-Y., and Wang, C. C.: Interfacial Solvation and Surface pH of Phenol and Dihydroxybenzene Aqueous Nanoaerosols Unveiled by Aerosol VUV Photoelectron Spectroscopy, J. Phys. Chem. B, 121, 1054–1067, https://doi.org/10.1021/acs.jpcb.6b10201, 2017.
Liu, C., Liu, J., Liu, Y., Chen, T., and He, H. J. A. E.: Secondary organic aerosol formation from the OH-initiated oxidation of guaiacol under different experimental conditions, Atmos. Environ., 207, 30–37, https://doi.org/10.1016/j.atmosenv.2019.03.021, 2019.
Liu, C., Chen, D., and Chen, X. E.: Atmospheric Reactivity of Methoxyphenols: A Review, Environ. Sci. Technol., 56, 2897–2916, https://doi.org/10.1021/acs.est.1c06535, 2022.
Lou, R., Wu, S.-B., and Lv, G.-J.: Effect of conditions on fast pyrolysis of bamboo lignin, J. Anal. Appl. Pyrol., 89, 191–196, https://doi.org/10.1016/j.jaap.2010.08.007, 2010.
Lu, T. and Chen, F.: Multiwfn: A multifunctional wavefunction analyzer, J. Comput. Chem., 33, 580–592, https://doi.org/10.1002/jcc.22885, 2012.
Lu, T. and Chen, Q.: Interaction Region Indicator: A Simple Real Space Function Clearly Revealing Both Chemical Bonds and Weak Interactions, Chemistry–Methods, 1, 231–239, https://doi.org/10.1002/cmtd.202100007, 2021.
Ma, L., Guzman, C., Niedek, C., Tran, T., Zhang, Q., and Anastasio, C.: Kinetics and Mass Yields of Aqueous Secondary Organic Aerosol from Highly Substituted Phenols Reacting with a Triplet Excited State, Environ. Sci. Technol., 55, 5772–5781, https://doi.org/10.1021/acs.est.1c00575, 2021.
Nollet, H., Roels, M., Lutgen, P., Van der Meeren, P., and Verstraete, W.: Removal of PCBs from wastewater using fly ash, Chemosphere, 53, 655–665, https://doi.org/10.1016/S0045-6535(03)00517-4, 2003.
Pillar-Little, E. A. and Guzman, M. I.: Oxidation of Substituted Catechols at the Air–Water Interface: Production of Carboxylic Acids, Quinones, and Polyphenols, Environ. Sci. Technol., 51, 4951–4959, https://doi.org/10.1021/acs.est.7b00232, 2017.
Pillar-Little, E. A., Camm, R. C., and Guzman, M. I.: Catechol Oxidation by Ozone and Hydroxyl Radicals at the Air–Water Interface, Environ. Sci. Technol., 48, 14352–14360, https://doi.org/10.1021/es504094x, 2014.
Qu, Z.-W. and Kroes, G.-J.: Theoretical Study of the Electronic Structure and Stability of Titanium Dioxide Clusters (TiO2)n with n = 1–9, J. Phys. Chem. B, 110, 8998–9007, https://doi.org/10.1021/jp056607p, 2006.
Rana, M. S. and Guzman, M. I.: Oxidation of Phenolic Aldehydes by Ozone and Hydroxyl Radicals at the Air–Water Interface, J. Phys. Chem. A, 124, 8822–8833, https://doi.org/10.1021/acs.jpca.0c05944, 2020.
Rana, M. S. and Guzman, M. I.: Oxidation of Phenolic Aldehydes by Ozone and Hydroxyl Radicals at the Air–Solid Interface, Acs Earth Space Chem., 6, 2900–2909, https://doi.org/10.1021/acsearthspacechem.2c00206, 2022a.
Rana, M. S. and Guzman, M. I.: Surface Oxidation of Phenolic Aldehydes: Fragmentation, Functionalization, and Coupling Reactions, J. Phys. Chem. A, 126, 6502–6516, https://doi.org/10.1021/acs.jpca.2c04963, 2022b.
Rana, M. S. and Guzman, M. I.: Oxidation of Catechols at the Air–Water Interface by Nitrate Radicals, Environ. Sci. Technol., 56, 15437–15448, https://doi.org/10.1021/acs.est.2c05640, 2022c.
Rana, M. S., Bradley, S. T., and Guzman, M. I.: Conversion of Catechol to 4-Nitrocatechol in Aqueous Microdroplets Exposed to O3 and NO2, ACS ES&T Air, 1, 80–91, https://doi.org/10.1021/acsestair.3c00001, 2024.
Reid, J. S., Eck, T. F., Christopher, S. A., Koppmann, R., Dubovik, O., Eleuterio, D. P., Holben, B. N., Reid, E. A., and Zhang, J.: A review of biomass burning emissions part III: intensive optical properties of biomass burning particles, Atmos. Chem. Phys., 5, 827–849, https://doi.org/10.5194/acp-5-827-2005, 2005.
Roeselová, M., Vieceli, J., Dang, L. X., Garrett, B. C., and Tobias, D. J.: Hydroxyl Radical at the Air-Water Interface, J. Am. Chem. Soc., 126, 16308–16309, https://doi.org/10.1021/ja045552m, 2004.
Rogge, W. F., Hildemann, L. M., Mazurek, M. A., and Cass, G. R.: Sources of Fine Organic Aerosol. 9. Pine, Oak, and Synthetic Log Combustion in Residential Fireplaces, Environ. Sci. Technol., 32, 13–22, https://doi.org/10.1021/es960930b, 1998.
Rubasinghege, G., Elzey, S., Baltrusaitis, J., Jayaweera, P. M., and Grassian, V. H.: Reactions on Atmospheric Dust Particles: Surface Photochemistry and Size-Dependent Nanoscale Redox Chemistry, J. Phys. Chem. Lett., 1, 1729–1737, https://doi.org/10.1021/jz100371d, 2010.
Rynjah, S., Baro, B., and Sarkar, B.: Oxepin Derivatives Formation from Gas-Phase Catechol Ozonolysis, J. Phys. Chem. A, 128, 251–260, https://doi.org/10.1021/acs.jpca.3c04582, 2024.
Sakata, K., Takahashi, Y., Takano, S., Matsuki, A., Sakaguchi, A., and Tanimoto, H.: First X-ray Spectroscopic Observations of Atmospheric Titanium Species: Size Dependence and the Emission Source, Environ. Sci. Technol., 55, 10975–10986, https://doi.org/10.1021/acs.est.1c02000, 2021.
Shang, H., Wang, X., Li, H., Li, M., Mao, C., Xing, P., Zhao, S., Chen, Z., Sun, J., Ai, Z., and Zhang, L.: Oxygen vacancies promote sulfur species accumulation on TiO2 mineral particles, Appl. Catal. B Environ., 290, 120024, https://doi.org/10.1016/j.apcatb.2021.120024, 2021.
Shi, Q., Zhang, W., Ji, Y., Wang, J., Qin, D., Chen, J., Gao, Y., Li, G., and An, T.: Enhanced uptake of glyoxal at the acidic nanoparticle interface: implications for secondary organic aerosol formation, Environ. Sci.-Nano, 7, 1126–1135, https://doi.org/10.1039/D0EN00016G, 2020.
Simoneit, B. R. T.: Biomass burning – a review of organic tracers for smoke from incomplete combustion, Appl. Geochem., 17, 129–162, https://doi.org/10.1016/S0883-2927(01)00061-0, 2002.
Smith, J. D., Kinney, H., and Anastasio, C.: Phenolic carbonyls undergo rapid aqueous photodegradation to form low-volatility, light-absorbing products, Atmos. Environ., 126, 36–44, https://doi.org/10.1016/j.atmosenv.2015.11.035, 2016.
Soongprasit, K., Sricharoenchaikul, V., and Atong, D.: Phenol-derived products from fast pyrolysis of organosolv lignin, Energy Rep., 6, 151–167, https://doi.org/10.1016/j.egyr.2020.08.040, 2020.
Sun, J., Han, D., Shallcross, D. E., Cao, H., Wei, B., Mei, Q., Xie, J., Zhan, J., and He, M.: Theoretical studies on the heterogeneous ozonolysis of syringol on graphene: Mechanism, kinetics and ecotoxicity assessment, Chem. Eng. J., 404, 126484, https://doi.org/10.1016/j.cej.2020.126484, 2021.
Sun, N., Rodríguez, H., Rahman, M., and Rogers, R. D.: Where are ionic liquid strategies most suited in the pursuit of chemicals and energy from lignocellulosic biomass?, Chem. Commun., 47, 1405–1421, https://doi.org/10.1039/C0CC03990J, 2011.
Sun, Y., Chen, X., Xu, F., and Wang, X.: Quantum chemical calculations on the mechanism and kinetics of ozone-initiated removal of p-coumaryl alcohol in the atmosphere, Chemosphere, 253, 126744, https://doi.org/10.1016/j.chemosphere.2020.126744, 2020.
Sun, Y., Chen, X., Liu, L., Xu, F., and Zhang, X.: Mechanisms and kinetics studies of the atmospheric oxidation of eugenol by hydroxyl radicals and ozone molecules, Sci. Total Environ., 770, 145203, https://doi.org/10.1016/j.scitotenv.2021.145203, 2021.
Tilgner, A., Schaefer, T., Alexander, B., Barth, M., Collett Jr., J. L., Fahey, K. M., Nenes, A., Pye, H. O. T., Herrmann, H., and McNeill, V. F.: Acidity and the multiphase chemistry of atmospheric aqueous particles and clouds, Atmos. Chem. Phys., 21, 13483–13536, https://doi.org/10.5194/acp-21-13483-2021, 2021.
Tomas, A., Olariu, R. I., Barnes, I., and Becker, K. H.: Kinetics of the reaction of O3 with selected benzenediols, Int. J. Chem. Kinet., 35, 223–230, https://doi.org/10.1002/kin.10121, 2003.
Vione, D., Maurino, V., Minero, C., Duncianu, M., Olariu, R.-I., Arsene, C., Sarakha, M., and Mailhot, G.: Assessing the transformation kinetics of 2- and 4-nitrophenol in the atmospheric aqueous phase. Implications for the distribution of both nitroisomers in the atmosphere, Atmos. Environ., 43, 2321–2327, https://doi.org/10.1016/j.atmosenv.2009.01.025, 2009.
Wang, R., Li, K., Li, J., Tsona, N. T., Wang, W., and Du, L.: Interaction of Acrylic Acid and SO2 on the Surface of Mineral Dust Aerosol, Acs Earth Space Chem., 7, 548–558, https://doi.org/10.1021/acsearthspacechem.2c00323, 2023.
Xu, C. and Wang, L.: Atmospheric Oxidation Mechanism of Phenol Initiated by OH Radical, J. Phys. Chem. A, 117, 2358–2364, https://doi.org/10.1021/jp308856b, 2013.
Yan, X., Bain, R. M., and Cooks, R. G.: Organic Reactions in Microdroplets: Reaction Acceleration Revealed by Mass Spectrometry, Angew. Chem. Int. Ed., 55, 12960–12972, https://doi.org/10.1002/anie.201602270, 2016.
Yao, L., Yang, L., Chen, J., Wang, X., Xue, L., Li, W., Sui, X., Wen, L., Chi, J., Zhu, Y., Zhang, J., Xu, C., Zhu, T., and Wang, W.: Characteristics of carbonaceous aerosols: Impact of biomass burning and secondary formation in summertime in a rural area of the North China Plain, Sci. Total Environ., 557–558, 520–530, https://doi.org/10.1016/j.scitotenv.2016.03.111, 2016.
Yee, L. D., Kautzman, K. E., Loza, C. L., Schilling, K. A., Coggon, M. M., Chhabra, P. S., Chan, M. N., Chan, A. W. H., Hersey, S. P., Crounse, J. D., Wennberg, P. O., Flagan, R. C., and Seinfeld, J. H.: Secondary organic aerosol formation from biomass burning intermediates: phenol and methoxyphenols, Atmos. Chem. Phys., 13, 8019–8043, https://doi.org/10.5194/acp-13-8019-2013, 2013.
Yuan, S., Wang, X., Jiang, Z., Zhang, H., and Yuan, S.: Contribution of air-water interface in removing PFAS from drinking water: Adsorption, stability, interaction and machine learning studies, Water Res., 236, 119947, https://doi.org/10.1016/j.watres.2023.119947, 2023.
Zein, A. E., Coeur, C., Obeid, E., Lauraguais, A., and Fagniez, T.: Reaction Kinetics of Catechol (1,2-Benzenediol) and Guaiacol (2-Methoxyphenol) with Ozone, J. Phys. Chem. A, 119, 6759–6765, https://doi.org/10.1021/acs.jpca.5b00174, 2015.
Zhang, J., Shrivastava, M., Ma, L., Jiang, W., Anastasio, C., Zhang, Q., and Zelenyuk, A.: Modeling Novel Aqueous Particle and Cloud Chemistry Processes of Biomass Burning Phenols and Their Potential to Form Secondary Organic Aerosols, Environ. Sci. Technol., 58, 3776–3786, https://doi.org/10.1021/acs.est.3c07762, 2024.
Zhang, W., Ji, Y., Li, G., Shi, Q., and An, T.: The heterogeneous reaction of dimethylamine/ammonia with sulfuric acid to promote the growth of atmospheric nanoparticles, Environ. Sci.-Nano, 6, 2767–2776, https://doi.org/10.1039/C9EN00619B, 2019.
Zhang, W., Tong, S., Jia, C., Wang, L., Liu, B., Tang, G., Ji, D., Hu, B., Liu, Z., Li, W., Wang, Z., Liu, Y., Wang, Y., and Ge, M.: Different HONO Sources for Three Layers at the Urban Area of Beijing, Environ. Sci. Technol., 54, 12870–12880, https://doi.org/10.1021/acs.est.0c02146, 2020.
Zhong, J., Kumar, M., Anglada, J. M., Martins-Costa, M. T. C., Ruiz-Lopez, M. F., Zeng, X. C., and Francisco, J. S.: Atmospheric Spectroscopy and Photochemistry at Environmental Water Interfaces, Annu. Rev. Phys. Chem., 70, 45–69, https://doi.org/10.1146/annurev-physchem-042018-052311, 2019.
Short summary
This work found that the air–water (A–W) interface and TiO2 clusters promote the oxidation of phenolic compounds (PhCs) to varying degrees compared with the gas phase and bulk water. Some byproducts are more harmful than their parent compounds. This work provides important evidence for the rapid oxidation observed in O3/HO• + PhC experiments at the A–W interface and in mineral dust.
This work found that the air–water (A–W) interface and TiO2 clusters promote the oxidation of...
Altmetrics
Final-revised paper
Preprint