Articles | Volume 21, issue 14
https://doi.org/10.5194/acp-21-11467-2021
© Author(s) 2021. 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-21-11467-2021
© Author(s) 2021. This work is distributed under
the Creative Commons Attribution 4.0 License.
the Creative Commons Attribution 4.0 License.
Using GECKO-A to derive mechanistic understanding of secondary organic aerosol formation from the ubiquitous but understudied camphene
Isaac Kwadjo Afreh
Department of Chemical and Environmental Engineering and College of
Engineering-Center for Environmental Research and Technology (CE-CERT),
University of California-Riverside, Riverside, California 92507, United
States
Bernard Aumont
Université Paris Est Creteil and Université de Paris, CNRS, LISA, 94010 Créteil, France
Marie Camredon
Université Paris Est Creteil and Université de Paris, CNRS, LISA, 94010 Créteil, France
Kelley Claire Barsanti
CORRESPONDING AUTHOR
Department of Chemical and Environmental Engineering and College of
Engineering-Center for Environmental Research and Technology (CE-CERT),
University of California-Riverside, Riverside, California 92507, United
States
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Atmos. Chem. Phys., 21, 11637–11654, https://doi.org/10.5194/acp-21-11637-2021, https://doi.org/10.5194/acp-21-11637-2021, 2021
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Victor Lannuque, Florian Couvidat, Marie Camredon, Bernard Aumont, and Bertrand Bessagnet
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Michael E. Jenkin, Richard Valorso, Bernard Aumont, and Andrew R. Rickard
Atmos. Chem. Phys., 19, 7691–7717, https://doi.org/10.5194/acp-19-7691-2019, https://doi.org/10.5194/acp-19-7691-2019, 2019
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Organic compounds are emitted in large amounts from natural and human-influenced sources. Peroxy radicals are key intermediates formed during oxidation of organic compounds, and play a central role in mechanisms forming pollutants such as ozone and organic particles. Due to the large number of different peroxy radicals formed, it is impossible to study the rates of all of their reactions, and most have to be estimated. Updated and new estimation methods are reported for use in atmospheric models
Dagny A. Ullmann, Mallory L. Hinks, Adrian M. Maclean, Christopher L. Butenhoff, James W. Grayson, Kelley Barsanti, Jose L. Jimenez, Sergey A. Nizkorodov, Saeid Kamal, and Allan K. Bertram
Atmos. Chem. Phys., 19, 1491–1503, https://doi.org/10.5194/acp-19-1491-2019, https://doi.org/10.5194/acp-19-1491-2019, 2019
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We measured the viscosity and diffusion of organic molecules in secondary organic aerosol (SOA) generated from the ozonolysis of limonene. The results suggest that the mixing times of large organics in the SOA studied are short (< 1 h) for conditions found in the planetary boundary layer. The results also show that the Stokes–Einstein equation gives accurate predictions of diffusion coefficients of large organics within the studied SOA up to a viscosity of 102 to 104 Pa s.
Coty N. Jen, Lindsay E. Hatch, Vanessa Selimovic, Robert J. Yokelson, Robert Weber, Arantza E. Fernandez, Nathan M. Kreisberg, Kelley C. Barsanti, and Allen H. Goldstein
Atmos. Chem. Phys., 19, 1013–1026, https://doi.org/10.5194/acp-19-1013-2019, https://doi.org/10.5194/acp-19-1013-2019, 2019
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Lindsay E. Hatch, Albert Rivas-Ubach, Coty N. Jen, Mary Lipton, Allen H. Goldstein, and Kelley C. Barsanti
Atmos. Chem. Phys., 18, 17801–17817, https://doi.org/10.5194/acp-18-17801-2018, https://doi.org/10.5194/acp-18-17801-2018, 2018
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Victor Lannuque, Marie Camredon, Florian Couvidat, Alma Hodzic, Richard Valorso, Sasha Madronich, Bertrand Bessagnet, and Bernard Aumont
Atmos. Chem. Phys., 18, 13411–13428, https://doi.org/10.5194/acp-18-13411-2018, https://doi.org/10.5194/acp-18-13411-2018, 2018
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Michael E. Jenkin, Richard Valorso, Bernard Aumont, Andrew R. Rickard, and Timothy J. Wallington
Atmos. Chem. Phys., 18, 9297–9328, https://doi.org/10.5194/acp-18-9297-2018, https://doi.org/10.5194/acp-18-9297-2018, 2018
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Organic compounds are emitted in large quantities from natural and human-influenced sources. Removal from the atmosphere occurs mainly by reaction with hydroxyl (OH) radicals, and initiates reaction sequences forming pollutants such as ozone and organic particles. Due to their very large number, it is impossible to measure the removal rate for all compounds, and most have to be estimated. An updated and extended estimation method is reported for use in atmospheric models and impact assessments.
Michael E. Jenkin, Richard Valorso, Bernard Aumont, Andrew R. Rickard, and Timothy J. Wallington
Atmos. Chem. Phys., 18, 9329–9349, https://doi.org/10.5194/acp-18-9329-2018, https://doi.org/10.5194/acp-18-9329-2018, 2018
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Organic compounds are emitted in large quantities from natural and human-influenced sources. Removal from the atmosphere occurs mainly by reaction with hydroxyl (OH) radicals, and initiates reaction sequences forming pollutants such as ozone and organic particles. Due to their very large number, it is impossible to measure the removal rate for all compounds, and most have to be estimated. An updated and extended estimation method is reported for use in atmospheric models and impact assessments.
Adrian M. Maclean, Christopher L. Butenhoff, James W. Grayson, Kelley Barsanti, Jose L. Jimenez, and Allan K. Bertram
Atmos. Chem. Phys., 17, 13037–13048, https://doi.org/10.5194/acp-17-13037-2017, https://doi.org/10.5194/acp-17-13037-2017, 2017
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David O. Topping, James Allan, M. Rami Alfarra, and Bernard Aumont
Geosci. Model Dev., 10, 2365–2377, https://doi.org/10.5194/gmd-10-2365-2017, https://doi.org/10.5194/gmd-10-2365-2017, 2017
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Qijing Bian, Shantanu H. Jathar, John K. Kodros, Kelley C. Barsanti, Lindsay E. Hatch, Andrew A. May, Sonia M. Kreidenweis, and Jeffrey R. Pierce
Atmos. Chem. Phys., 17, 5459–5475, https://doi.org/10.5194/acp-17-5459-2017, https://doi.org/10.5194/acp-17-5459-2017, 2017
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In this paper, we perform simulations of the evolution of biomass-burning organic aerosol in laboratory smog-chamber experiments and ambient plumes. We find that in smog-chamber experiments, vapor wall losses lead to a large reduction in the apparent secondary organic aerosol formation. In ambient plumes, fire size and meteorology regulate the plume dilution rate, primary organic aerosol evaporation rate, and secondary organic aerosol formation rate.
Camille Mouchel-Vallon, Laurent Deguillaume, Anne Monod, Hélène Perroux, Clémence Rose, Giovanni Ghigo, Yoann Long, Maud Leriche, Bernard Aumont, Luc Patryl, Patrick Armand, and Nadine Chaumerliac
Geosci. Model Dev., 10, 1339–1362, https://doi.org/10.5194/gmd-10-1339-2017, https://doi.org/10.5194/gmd-10-1339-2017, 2017
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The Cloud Explicit Physico-chemical Scheme (CLEPS 1.0) describes oxidation of water-soluble organic compounds resulting from isoprene oxidation. It is based on structure activity relationships (SARs) (global rate constants and branching ratios for HO• abstraction and addition) and GROMHE SAR (Henry's law constants for undocumented species). It is coupled to the MCM gas phase mechanism and is included in a model using the DSMACC model and KPP to analyze experimental and field data.
Lindsay E. Hatch, Robert J. Yokelson, Chelsea E. Stockwell, Patrick R. Veres, Isobel J. Simpson, Donald R. Blake, John J. Orlando, and Kelley C. Barsanti
Atmos. Chem. Phys., 17, 1471–1489, https://doi.org/10.5194/acp-17-1471-2017, https://doi.org/10.5194/acp-17-1471-2017, 2017
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The most comprehensive database of gaseous biomass burning emissions to date was compiled. Four complementary instruments were deployed together during laboratory fires. The results generally compared within experimental uncertainty and highlighted that a range of measurement approaches are required for adequate characterization of smoke composition. Observed compounds were binned based on volatility, and priority recommendations were made to improve secondary organic aerosol predictions.
Anna L. Hodshire, Michael J. Lawler, Jun Zhao, John Ortega, Coty Jen, Taina Yli-Juuti, Jared F. Brewer, Jack K. Kodros, Kelley C. Barsanti, Dave R. Hanson, Peter H. McMurry, James N. Smith, and Jeffery R. Pierce
Atmos. Chem. Phys., 16, 9321–9348, https://doi.org/10.5194/acp-16-9321-2016, https://doi.org/10.5194/acp-16-9321-2016, 2016
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Processes that control the growth of newly formed particles are not well understood and limit predictions of aerosol climate impacts. We combine state-of-the-art measurements at a central-US site with a particle-growth model to investigate the species and processes contributing to growth. Observed growth was dominated by organics, sulfate salts, or a mixture of these two. The model qualitatively captures the variability between different days.
Renee C. McVay, Xuan Zhang, Bernard Aumont, Richard Valorso, Marie Camredon, Yuyi S. La, Paul O. Wennberg, and John H. Seinfeld
Atmos. Chem. Phys., 16, 2785–2802, https://doi.org/10.5194/acp-16-2785-2016, https://doi.org/10.5194/acp-16-2785-2016, 2016
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Secondary organic aerosol (SOA) affects climate change, human health, and cloud formation. We examine SOA formation from the biogenic hydrocarbon α-pinene and observe unexpected experimental results that run contrary to model predictions. Various processes are explored via modeling to rationalize the observations. The paper identifies the importance of further constraining via experiments various steps in the chemical mechanism in order to accurately predict SOA worldwide.
David Topping, Mark Barley, Michael K. Bane, Nicholas Higham, Bernard Aumont, Nicholas Dingle, and Gordon McFiggans
Geosci. Model Dev., 9, 899–914, https://doi.org/10.5194/gmd-9-899-2016, https://doi.org/10.5194/gmd-9-899-2016, 2016
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In this paper we describe the development and application of a new web-based and open-source facility, UManSysProp (http://umansysprop .seaes.manchester.ac.uk), for automating predictions of molecular and atmospheric aerosol properties. Current facilities include pure component vapour pressures, critical properties, and sub-cooled densities of organic molecules; activity coefficient predictions for mixed inorganic-organic liquid systems; hygroscopic growth factors and CCN activation potential.
Y. S. La, M. Camredon, P. J. Ziemann, R. Valorso, A. Matsunaga, V. Lannuque, J. Lee-Taylor, A. Hodzic, S. Madronich, and B. Aumont
Atmos. Chem. Phys., 16, 1417–1431, https://doi.org/10.5194/acp-16-1417-2016, https://doi.org/10.5194/acp-16-1417-2016, 2016
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The potential impact of chamber walls on the loss of gaseous organic species and secondary organic aerosol (SOA) formation has been explored using the GECKO-A modeling tool, which explicitly represents SOA formation and gas-wall partitioning. The model was compared with 41 smog chamber experiments of SOA formation under OH oxidation of alkane and alkene serie. The organic vapor loss to the chamber walls is found to affect SOA yields as well as the composition of the gas and the particle phase.
A. Hodzic, S. Madronich, P. S. Kasibhatla, G. Tyndall, B. Aumont, J. L. Jimenez, J. Lee-Taylor, and J. Orlando
Atmos. Chem. Phys., 15, 9253–9269, https://doi.org/10.5194/acp-15-9253-2015, https://doi.org/10.5194/acp-15-9253-2015, 2015
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Our study combines process and global chemistry modeling to investigate the potential effect of gas- and particle-phase organic photolysis reactions on the formation and lifetime of secondary organic aerosols (SOAs). Photolysis of the oxidation intermediates that partition between gas and particle phases to form SOA is not included in 3D models. Our results suggest that exposure to UV light can suppress the formation of SOA or even lead to its substantial loss (comparable to wet deposition).
C. Denjean, P. Formenti, B. Picquet-Varrault, M. Camredon, E. Pangui, P. Zapf, Y. Katrib, C. Giorio, A. Tapparo, B. Temime-Roussel, A. Monod, B. Aumont, and J. F. Doussin
Atmos. Chem. Phys., 15, 883–897, https://doi.org/10.5194/acp-15-883-2015, https://doi.org/10.5194/acp-15-883-2015, 2015
J. Lee-Taylor, A. Hodzic, S. Madronich, B. Aumont, M. Camredon, and R. Valorso
Atmos. Chem. Phys., 15, 595–615, https://doi.org/10.5194/acp-15-595-2015, https://doi.org/10.5194/acp-15-595-2015, 2015
V. Michoud, A. Colomb, A. Borbon, K. Miet, M. Beekmann, M. Camredon, B. Aumont, S. Perrier, P. Zapf, G. Siour, W. Ait-Helal, C. Afif, A. Kukui, M. Furger, J. C. Dupont, M. Haeffelin, and J. F. Doussin
Atmos. Chem. Phys., 14, 2805–2822, https://doi.org/10.5194/acp-14-2805-2014, https://doi.org/10.5194/acp-14-2805-2014, 2014
T. Yli-Juuti, K. Barsanti, L. Hildebrandt Ruiz, A.-J. Kieloaho, U. Makkonen, T. Petäjä, T. Ruuskanen, M. Kulmala, and I. Riipinen
Atmos. Chem. Phys., 13, 12507–12524, https://doi.org/10.5194/acp-13-12507-2013, https://doi.org/10.5194/acp-13-12507-2013, 2013
K. C. Barsanti, A. G. Carlton, and S. H. Chung
Atmos. Chem. Phys., 13, 12073–12088, https://doi.org/10.5194/acp-13-12073-2013, https://doi.org/10.5194/acp-13-12073-2013, 2013
M. Xie, K. C. Barsanti, M. P. Hannigan, S. J. Dutton, and S. Vedal
Atmos. Chem. Phys., 13, 7381–7393, https://doi.org/10.5194/acp-13-7381-2013, https://doi.org/10.5194/acp-13-7381-2013, 2013
A. Mahmud and K. Barsanti
Geosci. Model Dev., 6, 961–980, https://doi.org/10.5194/gmd-6-961-2013, https://doi.org/10.5194/gmd-6-961-2013, 2013
C. Mouchel-Vallon, P. Bräuer, M. Camredon, R. Valorso, S. Madronich, H. Herrmann, and B. Aumont
Atmos. Chem. Phys., 13, 1023–1037, https://doi.org/10.5194/acp-13-1023-2013, https://doi.org/10.5194/acp-13-1023-2013, 2013
V. Michoud, A. Kukui, M. Camredon, A. Colomb, A. Borbon, K. Miet, B. Aumont, M. Beekmann, R. Durand-Jolibois, S. Perrier, P. Zapf, G. Siour, W. Ait-Helal, N. Locoge, S. Sauvage, C. Afif, V. Gros, M. Furger, G. Ancellet, and J. F. Doussin
Atmos. Chem. Phys., 12, 11951–11974, https://doi.org/10.5194/acp-12-11951-2012, https://doi.org/10.5194/acp-12-11951-2012, 2012
Related subject area
Subject: Aerosols | Research Activity: Atmospheric Modelling | Altitude Range: Troposphere | Science Focus: Chemistry (chemical composition and reactions)
Impacts of estimated plume rise on PM2.5 exceedance prediction during extreme wildfire events: a comparison of three schemes (Briggs, Freitas, and Sofiev)
Coarse particulate matter air quality in East Asia: implications for fine particulate nitrate
Strong particle production and condensational growth in the upper troposphere sustained by biogenic VOCs from the canopy of the Amazon Basin
Sources of organic aerosols in eastern China: a modeling study with high-resolution intermediate-volatility and semivolatile organic compound emissions
Modelling the European wind-blown dust emissions and their impact on PM concentrations
Composited analyses of the chemical and physical characteristics of co-polluted days by ozone and PM2.5 over 2013–2020 in the Beijing–Tianjin–Hebei region
Observation-based constraints on modeled aerosol surface area: implications for heterogeneous chemistry
Analysis of new particle nucleation events and comparisons to simulations of particle number concentrations based on GEOS-Chem/APM in Beijing, China
Oligomer formation from the gas-phase reactions of Criegee intermediates with hydroperoxide esters: mechanism and kinetics
Modelling SO2 conversion into sulfates in the mid-troposphere with a 3D chemistry transport model: the case of Mount Etna's eruption on 12 April 2012
Simulation of organic aerosol, its precursors and related oxidants in the Landes pine forest in south-western France: Need to account for domain specific land-use and physical conditions
Global distribution of Asian, Middle Eastern, and North African dust simulated by CESM1/CARMA
Opinion: Coordinated development of emission inventories for climate forcers and air pollutants
Linking gas, particulate, and toxic endpoints to air emissions in the Community Regional Atmospheric Chemistry Multiphase Mechanism (CRACMM) version 1.0
Contribution of regional aerosol nucleation to low-level CCN in an Amazonian deep convective environment: Results from a regionally nested global model
Seasonal modeling analysis of nitrate formation pathways in Yangtze River Delta region, China
Foreign emissions exacerbate PM2.5 pollution in China through nitrate chemistry
Modeling radiative and climatic effects of brown carbon aerosols with the ARPEGE-Climat global climate model
Numerical simulation of the impact of COVID-19 lockdown on tropospheric composition and aerosol radiative forcing in Europe
Evaluation of the WRF and CHIMERE models for the simulation of PM2.5 in large East African urban conurbations
Impact of urban heat island on inorganic aerosol in the lower free troposphere: a case study in Hangzhou, China
Statistical and machine learning methods for evaluating trends in air quality under changing meteorological conditions
Simulating the radiative forcing of oceanic dimethylsulfide (DMS) in Asia based on machine learning estimates
Quantifying the effects of mixing state on aerosol optical properties
Secondary organic aerosol formation via multiphase reaction of hydrocarbons in urban atmospheres using CAMx integrated with the UNIPAR model
Contrasting source contributions of Arctic black carbon to atmospheric concentrations, deposition flux, and atmospheric and snow radiative effects
Effect of dust on rainfall over the Red Sea coast based on WRF-Chem model simulations
A new assessment of global and regional budgets, fluxes, and lifetimes of atmospheric reactive N and S gases and aerosols
Limitations in representation of physical processes prevent successful simulation of PM2.5 during KORUS-AQ
Eurodelta multi-model simulated and observed particulate matter trends in Europe in the period of 1990–2010
Elucidating the critical oligomeric steps in secondary organic aerosol and brown carbon formation
Fast climate responses to emission reductions in aerosol and ozone precursors in China during 2013–2017
Secondary PM2.5 decreases significantly less than NO2 emission reductions during COVID lockdown in Germany
Modelling wintertime Arctic Haze and sea-spray aerosols
Molecular-level nucleation mechanism of iodic acid and methanesulfonic acid
Estimation of secondary PM2.5 in China and the United States using a multi-tracer approach
Two-way coupled meteorology and air quality models in Asia: a systematic review and meta-analysis of impacts of aerosol feedbacks on meteorology and air quality
OCEANFILMS (Organic Compounds from Ecosystems to Aerosols: Natural Films and Interfaces via Langmuir Molecular Surfactants) sea spray organic aerosol emissions – implementation in a global climate model and impacts on clouds
The pathway of impacts of aerosol direct effects on secondary inorganic aerosol formation
The impact of molecular self-organisation on the atmospheric fate of a cooking aerosol proxy
The formation and mitigation of nitrate pollution: comparison between urban and suburban environments
Impacts of aerosol–photolysis interaction and aerosol–radiation feedback on surface-layer ozone in North China during multi-pollutant air pollution episodes
Reducing future air-pollution-related premature mortality over Europe by mitigating emissions from the energy sector: assessing an 80 % renewable energies scenario
The impact of chlorine chemistry combined with heterogeneous N2O5 reactions on air quality in China
OH-initiated atmospheric degradation of hydroxyalkyl hydroperoxides: mechanism, kinetics, and structure–activity relationship
A predictive viscosity model for aqueous electrolytes and mixed organic–inorganic aerosol phases
The role of organic acids in new particle formation from methanesulfonic acid and methylamine
The number fraction of iron-containing particles affects OH, HO2 and H2O2 budgets in the atmospheric aqueous phase
Source-resolved variability of fine particulate matter and human exposure in an urban area
The impact of atmospheric blocking on the compounding effect of ozone pollution and temperature: a copula-based approach
Yunyao Li, Daniel Tong, Siqi Ma, Saulo R. Freitas, Ravan Ahmadov, Mikhail Sofiev, Xiaoyang Zhang, Shobha Kondragunta, Ralph Kahn, Youhua Tang, Barry Baker, Patrick Campbell, Rick Saylor, Georg Grell, and Fangjun Li
Atmos. Chem. Phys., 23, 3083–3101, https://doi.org/10.5194/acp-23-3083-2023, https://doi.org/10.5194/acp-23-3083-2023, 2023
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Plume height is important in wildfire smoke dispersion and affects air quality and human health. We assess the impact of plume height on wildfire smoke dispersion and the exceedances of the National Ambient Air Quality Standards. A higher plume height predicts lower pollution near the source region, but higher pollution in downwind regions, due to the faster spread of the smoke once ejected, affects pollution exceedance forecasts and the early warning of extreme air pollution events.
Shixian Zhai, Daniel J. Jacob, Drew C. Pendergrass, Nadia K. Colombi, Viral Shah, Laura Hyesung Yang, Qiang Zhang, Shuxiao Wang, Hwajin Kim, Yele Sun, Jin-Soo Choi, Jin-Soo Park, Gan Luo, Fangqun Yu, Jung-Hun Woo, Younha Kim, Jack E. Dibb, Taehyoung Lee, Jin-Seok Han, Bruce E. Anderson, Ke Li, and Hong Liao
EGUsphere, https://doi.org/10.5194/egusphere-2022-1485, https://doi.org/10.5194/egusphere-2022-1485, 2023
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Anthropogenic fugitive dust is causing severe coarse particulate matter (PM) air pollution in East Asia. Due to emission control efforts, coarse PM decreased steadily. We find that the decrease of coarse PM is the major reason for the lack decrease of fine particulate nitrate, as it allows more nitric acid to form fine particulate nitrate. The continuing decrease of coarse PM requires more stringent ammonia and nitrogen oxides emission controls to successfully decrease fine particulate nitrate.
Yunfan Liu, Hang Su, Siwen Wang, Chao Wei, Wei Tao, Mira L. Pöhlker, Christopher Pöhlker, Bruna A. Holanda, Ovid O. Krüger, Thorsten Hoffmann, Manfred Wendisch, Paulo Artaxo, Ulrich Pöschl, Meinrat O. Andreae, and Yafang Cheng
Atmos. Chem. Phys., 23, 251–272, https://doi.org/10.5194/acp-23-251-2023, https://doi.org/10.5194/acp-23-251-2023, 2023
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The origins of the abundant cloud condensation nuclei (CCN) in the upper troposphere (UT) of the Amazon remain unclear. With model developments of new secondary organic aerosol schemes and constrained by observation, we show that strong aerosol nucleation and condensation in the UT is triggered by biogenic organics, and organic condensation is key for UT CCN production. This UT CCN-producing mechanism may prevail over broader vegetation canopies and deserves emphasis in aerosol–climate feedback.
Jingyu An, Cheng Huang, Dandan Huang, Momei Qin, Huan Liu, Rusha Yan, Liping Qiao, Min Zhou, Yingjie Li, Shuhui Zhu, Qian Wang, and Hongli Wang
Atmos. Chem. Phys., 23, 323–344, https://doi.org/10.5194/acp-23-323-2023, https://doi.org/10.5194/acp-23-323-2023, 2023
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This paper aims to build up an approach to establish a high-resolution emission inventory of intermediate-volatility and semi-volatile organic compounds in city-scale and detailed source categories and incorporate it into the CMAQ model. We believe this approach can be widely applied to improve the simulation of secondary organic aerosol and its source contributions.
Marina Liaskoni, Peter Huszar, Lukáš Bartík, Alvaro Patricio Prieto Perez, Jan Karlický, and Ondřej Vlček
Atmos. Chem. Phys. Discuss., https://doi.org/10.5194/acp-2022-804, https://doi.org/10.5194/acp-2022-804, 2023
Revised manuscript accepted for ACP
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Wind-blown dust (WBD) emissions emitted from European soils are estimated for the 2007–2016 period and their impact on the total particulate matter (PM) concentration is calculated. We found considerable increase of PM concentrations due to such emissions, especially during selected days (rather than in seasonal average). We also found that WBD emissions are strongest over western Europe and the highest impacts on PM are calculated for this region.
Huibin Dai, Hong Liao, Ke Li, Xu Yue, Yang Yang, Jia Zhu, Jianbing Jin, Baojie Li, and Xingwen Jiang
Atmos. Chem. Phys., 23, 23–39, https://doi.org/10.5194/acp-23-23-2023, https://doi.org/10.5194/acp-23-23-2023, 2023
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We apply the 3-D global chemical transport model (GEOS-Chem) to simulate co-polluted days by O3 and PM2.5 (O3–PM2.5PDs) in Beijing–Tianjin–Hebei in 2013–2020 and investigate the chemical and physical characteristics of O3–PM2.5PDs by composited analyses of such days that are captured by both the observations and the model. We report for the first time the unique features in vertical distributions of aerosols during O3–PM2.5PDs and the physical and chemical characteristics of O3–PM2.5PDs.
Rachel A. Bergin, Monica Harkey, Alicia Hoffman, Richard H. Moore, Bruce Anderson, Andreas Beyersdorf, Luke Ziemba, Lee Thornhill, Edward Winstead, Tracey Holloway, and Timothy H. Bertram
Atmos. Chem. Phys., 22, 15449–15468, https://doi.org/10.5194/acp-22-15449-2022, https://doi.org/10.5194/acp-22-15449-2022, 2022
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Correctly predicting aerosol surface area concentrations is important for determining the rate of heterogeneous reactions in chemical transport models. Here, we compare aircraft measurements of aerosol surface area with a regional model. In polluted air masses, we show that the model underpredicts aerosol surface area by a factor of 2. Despite this disagreement, the representation of heterogeneous chemistry still dominates the overall uncertainty in the loss rate of molecules such as N2O5.
Kun Wang, Xiaoyan Ma, Rong Tian, and Fangqun Yu
Atmos. Chem. Phys. Discuss., https://doi.org/10.5194/acp-2022-797, https://doi.org/10.5194/acp-2022-797, 2022
Revised manuscript accepted for ACP
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During March 12th to April 6th, 2016 in Beijing, there were 11 typical new particle formation days, 13 non-event days and 2 undefined days. We first analyzed the favorable background of new particle formation in Beijing, and then obtained the quantitative meteorological and solar radiation conditions of new particle formation. In addition, we conducted the simulations using four nucleation schemes based on a global chemistry transport model (GEOS-Chem) to understand the nucleation mechanism.
Long Chen, Yu Huang, Yonggang Xue, Zhihui Jia, and Wenliang Wang
Atmos. Chem. Phys., 22, 14529–14546, https://doi.org/10.5194/acp-22-14529-2022, https://doi.org/10.5194/acp-22-14529-2022, 2022
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Quantum chemical methods are applied to gain insight into the oligomerization reaction mechanisms and kinetics of distinct stabilized Criegee intermediate (SCI) reactions with hydroperoxide esters, where calculations show that SCI addition reactions with hydroperoxide esters proceed through the successive insertion of SCIs to form oligomers that involve SCIs as the repeating unit. The saturated vapor pressure of the formed oligomers decreases monotonically with the increasing number of SCIs.
Mathieu Lachatre, Sylvain Mailler, Laurent Menut, Arineh Cholakian, Pasquale Sellitto, Guillaume Siour, Henda Guermazi, Giuseppe Salerno, and Salvatore Giammanco
Atmos. Chem. Phys., 22, 13861–13879, https://doi.org/10.5194/acp-22-13861-2022, https://doi.org/10.5194/acp-22-13861-2022, 2022
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In this study, we have evaluated the predominance of various pathways of volcanic SO2 conversion to sulfates in the upper troposphere. We show that the main conversion pathway was gaseous oxidation by OH, although the liquid pathways were expected to be predominant. These results are interesting with respect to a better understanding of sulfate formation in the middle and upper troposphere and are an important component to help evaluate particulate matter radiative forcing.
Arineh Cholakian, Matthias Beekmann, Guillaume Siour, Isabelle Coll, Manuela Cirtog, Elena Ormeno, Pierre-Marie Flaud, Emilie Perraudin, and Eric Villenave
Atmos. Chem. Phys. Discuss., https://doi.org/10.5194/acp-2022-697, https://doi.org/10.5194/acp-2022-697, 2022
Revised manuscript accepted for ACP
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This article revolves around the simulation of biogenic secondary organic aerosols in the Landes forest (south-west France). In order to do so, several sensitivity cases involving biogenic emission factors, landcover data, anthropogenic emissions and physical parameters were performed and each compared to measurements both in the forest canopy and around the forest. The chemistry behind the formation of these aerosols and their production and transport in the forest canopy are discussed.
Siying Lian, Luxi Zhou, Daniel M. Murphy, Karl D. Froyd, Owen B. Toon, and Pengfei Yu
Atmos. Chem. Phys., 22, 13659–13676, https://doi.org/10.5194/acp-22-13659-2022, https://doi.org/10.5194/acp-22-13659-2022, 2022
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Parameterizations of dust lifting and microphysical properties of dust in climate models are still subject to large uncertainty. Here we use a sectional aerosol climate model to investigate the global vertical distributions of the dust. Constrained by a suite of observations, the model suggests that, although North African dust dominates global dust mass loading at the surface, the relative contribution of Asian dust increases with altitude and becomes dominant in the upper troposphere.
Steven J. Smith, Erin E. McDuffie, and Molly Charles
Atmos. Chem. Phys., 22, 13201–13218, https://doi.org/10.5194/acp-22-13201-2022, https://doi.org/10.5194/acp-22-13201-2022, 2022
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Emissions into the atmosphere of greenhouse gases (GHGs) and air pollutants, quantified in emission inventories, impact human health, ecosystems, and the climate. We review how air pollutant and GHG inventory activities have historically been structured and their different uses and requirements. We discuss the benefits of increasing coordination between air pollutant and GHG inventory development efforts, but also caution that there are differences in appropriate methodologies and applications.
Havala O. T. Pye, Bryan K. Place, Benjamin N. Murphy, Karl M. Seltzer, Emma L. D'Ambro, Christine Allen, Ivan R. Piletic, Sara Farrell, Rebecca H. Schwantes, Matthew M. Coggon, Emily Saunders, Lu Xu, Golam Sarwar, William T. Hutzell, Kristen M. Foley, George Pouliot, Jesse Bash, and William R. Stockwell
Atmos. Chem. Phys. Discuss., https://doi.org/10.5194/acp-2022-695, https://doi.org/10.5194/acp-2022-695, 2022
Revised manuscript accepted for ACP
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Chemical mechanisms describe how emissions from vehicles, chemical products, vegetation, and other sources are chemically transformed in the atmosphere to secondary products. The Community Regional Atmospheric Chemistry Multiphase Mechanism is a new mechanism that integrates radical chemistry leading to gas-phase endpoints with pathways to fine particle mass. In addition, some hazardous air pollutants are explicitly included to enable calculation of health risks from specific chemicals.
Xuemei Wang, Hamish Gordon, Daniel P. Grosvenor, Meinrat O. Andreae, and Ken S. Carslaw
Atmos. Chem. Phys. Discuss., https://doi.org/10.5194/acp-2022-705, https://doi.org/10.5194/acp-2022-705, 2022
Revised manuscript accepted for ACP
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New particle formation in the upper troposphere is important for the global boundary layer aerosol population and they can be transported downward in Amazonia. We use a global and a regional model to quantify the number of aerosols that are formed at high altitude and transported downward in a 1000 km region. We find that the majority of the aerosols are from outside the region. This suggests that the 1000 km region is unlikely to be a ‘closed loop’ for aerosol formation, transport and growth.
Jinjin Sun, Momei Qin, Xiaodong Xie, Wenxing Fu, Yang Qin, Li Sheng, Lin Li, Jingyi Li, Ishaq Dimeji Sulaymon, Lei Jiang, Lin Huang, Xingna Yu, and Jianlin Hu
Atmos. Chem. Phys., 22, 12629–12646, https://doi.org/10.5194/acp-22-12629-2022, https://doi.org/10.5194/acp-22-12629-2022, 2022
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NO3- has become the dominant and the least reduced chemical component of fine particulate matter in China. NO3- formation is mostly in the NH3-rich regime in the Yangtze River Delta (YRD). OH + NO2 contributes 60 %–83 % of the TNO3 production rates, and the N2O5 heterogeneous pathway contributes 10 %–36 %. The N2O5 heterogeneous pathway becomes more important in cold seasons. Local emissions and regional transportation contribute 50 %–62 % and 38 %–50 % to YRD NO3- concentrations, respectively.
Jun-Wei Xu, Jintai Lin, Gan Luo, Jamiu Adeniran, and Hao Kong
Atmos. Chem. Phys. Discuss., https://doi.org/10.5194/acp-2022-646, https://doi.org/10.5194/acp-2022-646, 2022
Revised manuscript accepted for ACP
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Research on the sources of Chinese PM2.5 pollution has focused on the contributions of China’s domestic emissions. However, the impact of foreign anthropogenic emissions has typically been simplified or neglected. Here we find that foreign anthropogenic emissions play an important role in Chinese PM2.5 pollution through chemical interactions between transported pollutants and China’s local emissions. Thus, foreign emission reductions are essential for improving Chinese air quality.
Thomas Drugé, Pierre Nabat, Marc Mallet, Martine Michou, Samuel Rémy, and Oleg Dubovik
Atmos. Chem. Phys., 22, 12167–12205, https://doi.org/10.5194/acp-22-12167-2022, https://doi.org/10.5194/acp-22-12167-2022, 2022
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This study presents the implementation of brown carbon in the atmospheric component of the CNRM global climate model and particularly in its aerosol scheme TACTIC. Several simulations were carried out with this climate model, over the period 2000–2014, to evaluate the model by comparison with different reference datasets (PARASOL-GRASP, OMI-OMAERUVd, MACv2, FMI_SAT, AERONET) and to analyze the brown carbon radiative and climatic effects.
Simon F. Reifenberg, Anna Martin, Matthias Kohl, Sara Bacer, Zaneta Hamryszczak, Ivan Tadic, Lenard Röder, Daniel J. Crowley, Horst Fischer, Katharina Kaiser, Johannes Schneider, Raphael Dörich, John N. Crowley, Laura Tomsche, Andreas Marsing, Christiane Voigt, Andreas Zahn, Christopher Pöhlker, Bruna A. Holanda, Ovid Krüger, Ulrich Pöschl, Mira Pöhlker, Patrick Jöckel, Marcel Dorf, Ulrich Schumann, Jonathan Williams, Birger Bohn, Joachim Curtius, Hardwig Harder, Hans Schlager, Jos Lelieveld, and Andrea Pozzer
Atmos. Chem. Phys., 22, 10901–10917, https://doi.org/10.5194/acp-22-10901-2022, https://doi.org/10.5194/acp-22-10901-2022, 2022
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In this work we use a combination of observational data from an aircraft campaign and model results to investigate the effect of the European lockdown due to COVID-19 in spring 2020. Using model results, we show that the largest relative changes to the atmospheric composition caused by the reduced emissions are located in the upper troposphere around aircraft cruise altitude, while the largest absolute changes are present at the surface.
Andrea Mazzeo, Michael Burrow, Andrew Quinn, Eloise A. Marais, Ajit Singh, David Ng'ang'a, Michael J. Gatari, and Francis D. Pope
Atmos. Chem. Phys., 22, 10677–10701, https://doi.org/10.5194/acp-22-10677-2022, https://doi.org/10.5194/acp-22-10677-2022, 2022
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A modelling system for meteorology and chemistry transport processes, WRF–CHIMERE, has been tested and validated for three East African conurbations using the most up-to-date anthropogenic emissions available. Results show that the model is able to reproduce hourly and daily temporal variabilities in aerosol concentrations that are close to observations in both urban and rural environments, encouraging the adoption of numerical modelling as a tool for air quality management in East Africa.
Hanqing Kang, Bin Zhu, Gerrit de Leeuw, Bu Yu, Ronald J. van der A, and Wen Lu
Atmos. Chem. Phys., 22, 10623–10634, https://doi.org/10.5194/acp-22-10623-2022, https://doi.org/10.5194/acp-22-10623-2022, 2022
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This study quantified the contribution of each urban-induced meteorological effect (temperature, humidity, and circulation) to aerosol concentration. We found that the urban heat island (UHI) circulation dominates the UHI effects on aerosol. The UHI circulation transports aerosol and its precursor gases from the warmer lower boundary layer to the colder lower free troposphere and promotes the secondary formation of ammonium nitrate aerosol in the cold atmosphere.
Minghao Qiu, Corwin Zigler, and Noelle E. Selin
Atmos. Chem. Phys., 22, 10551–10566, https://doi.org/10.5194/acp-22-10551-2022, https://doi.org/10.5194/acp-22-10551-2022, 2022
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Evaluating impacts of emission changes on air quality requires accounting for meteorological variability. Many studies use simple regression methods to correct for meteorology, but little is known about their performance. Using cases in the US and China, we show that widely used regression models do not perform well and can lead to biased estimates of emission-driven trends. We propose a novel machine learning method with lower bias and provide recommendations to policymakers and researchers.
Junri Zhao, Weichun Ma, Kelsey R. Bilsback, Jeffrey R. Pierce, Shengqian Zhou, Ying Chen, Guipeng Yang, and Yan Zhang
Atmos. Chem. Phys., 22, 9583–9600, https://doi.org/10.5194/acp-22-9583-2022, https://doi.org/10.5194/acp-22-9583-2022, 2022
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Marine dimethylsulfide (DMS) emissions play important roles in atmospheric sulfur cycle and climate effects. In this study, DMS emissions were estimated by using the machine learning method and drove the global 3D chemical transport model to simulate their climate effects. To our knowledge, this is the first study in the Asian region that quantifies the combined impacts of DMS on sulfate, particle number concentration, and radiative forcings.
Yu Yao, Jeffrey H. Curtis, Joseph Ching, Zhonghua Zheng, and Nicole Riemer
Atmos. Chem. Phys., 22, 9265–9282, https://doi.org/10.5194/acp-22-9265-2022, https://doi.org/10.5194/acp-22-9265-2022, 2022
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Investigating the impacts of aerosol mixing state on aerosol optical properties has a long history from both the modeling and experimental perspective. In this study, we used particle-resolved simulations as a benchmark to determine the error in optical properties when using simplified aerosol representations. We found that errors in single scattering albedo due to the internal mixture assumptions can have substantial effects on calculating aerosol direct radiative forcing.
Zechen Yu, Myoseon Jang, Soontae Kim, Kyuwon Son, Sanghee Han, Azad Madhu, and Jinsoo Park
Atmos. Chem. Phys., 22, 9083–9098, https://doi.org/10.5194/acp-22-9083-2022, https://doi.org/10.5194/acp-22-9083-2022, 2022
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The UNIPAR model was incorporated into CAMx to predict the ambient concentration of organic matter in urban atmospheres during the KORUS-AQ campaign. CAMx–UNIPAR significantly improved the simulation of SOA formation under the wet aerosol condition through the consideration of aqueous reactions of reactive organic species and gas–aqueous partitioning into the wet inorganic aerosol.
Hitoshi Matsui, Tatsuhiro Mori, Sho Ohata, Nobuhiro Moteki, Naga Oshima, Kumiko Goto-Azuma, Makoto Koike, and Yutaka Kondo
Atmos. Chem. Phys., 22, 8989–9009, https://doi.org/10.5194/acp-22-8989-2022, https://doi.org/10.5194/acp-22-8989-2022, 2022
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Using a global aerosol model, we find that the source contributions to radiative effects of black carbon (BC) in the Arctic are quite different from those to mass concentrations and deposition flux of BC in the Arctic. This is because microphysical properties (e.g., mixing state), altitudes, and seasonal variations of BC in the atmosphere differ among emissions sources. These differences need to be considered for accurate simulations of Arctic BC and its source contributions and climate impacts.
Sagar P. Parajuli, Georgiy L. Stenchikov, Alexander Ukhov, Suleiman Mostamandi, Paul A. Kucera, Duncan Axisa, William I. Gustafson Jr., and Yannian Zhu
Atmos. Chem. Phys., 22, 8659–8682, https://doi.org/10.5194/acp-22-8659-2022, https://doi.org/10.5194/acp-22-8659-2022, 2022
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Rainfall affects the distribution of surface- and groundwater resources, which are constantly declining over the Middle East and North Africa (MENA) due to overexploitation. Here, we explored the effects of dust on rainfall using WRF-Chem model simulations. Although dust is considered a nuisance from an air quality perspective, our results highlight the positive fundamental role of dust particles in modulating rainfall formation and distribution, which has implications for cloud seeding.
Yao Ge, Massimo Vieno, David S. Stevenson, Peter Wind, and Mathew R. Heal
Atmos. Chem. Phys., 22, 8343–8368, https://doi.org/10.5194/acp-22-8343-2022, https://doi.org/10.5194/acp-22-8343-2022, 2022
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Reactive N and S gases and aerosols are critical determinants of air quality. We report a comprehensive analysis of the concentrations, wet and dry deposition, fluxes, and lifetimes of these species globally as well as for 10 world regions. We used the EMEP MSC-W model coupled with WRF meteorology and 2015 global emissions. Our work demonstrates the substantial regional variation in these quantities and the need for modelling to simulate atmospheric responses to precursor emissions.
Katherine R. Travis, James H. Crawford, Gao Chen, Carolyn E. Jordan, Benjamin A. Nault, Hwajin Kim, Jose L. Jimenez, Pedro Campuzano-Jost, Jack E. Dibb, Jung-Hun Woo, Younha Kim, Shixian Zhai, Xuan Wang, Erin E. McDuffie, Gan Luo, Fangqun Yu, Saewung Kim, Isobel J. Simpson, Donald R. Blake, Limseok Chang, and Michelle J. Kim
Atmos. Chem. Phys., 22, 7933–7958, https://doi.org/10.5194/acp-22-7933-2022, https://doi.org/10.5194/acp-22-7933-2022, 2022
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The 2016 Korea–United States Air Quality (KORUS-AQ) field campaign provided a unique set of observations to improve our understanding of PM2.5 pollution in South Korea. Models typically have errors in simulating PM2.5 in this region, which is of concern for the development of control measures. We use KORUS-AQ observations to improve our understanding of the mechanisms driving PM2.5 and the implications of model errors for determining PM2.5 that is attributable to local or foreign sources.
Svetlana Tsyro, Wenche Aas, Augustin Colette, Camilla Andersson, Bertrand Bessagnet, Giancarlo Ciarelli, Florian Couvidat, Kees Cuvelier, Astrid Manders, Kathleen Mar, Mihaela Mircea, Noelia Otero, Maria-Teresa Pay, Valentin Raffort, Yelva Roustan, Mark R. Theobald, Marta G. Vivanco, Hilde Fagerli, Peter Wind, Gino Briganti, Andrea Cappelletti, Massimo D'Isidoro, and Mario Adani
Atmos. Chem. Phys., 22, 7207–7257, https://doi.org/10.5194/acp-22-7207-2022, https://doi.org/10.5194/acp-22-7207-2022, 2022
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Particulate matter (PM) air pollution causes adverse health effects. In Europe, the emissions caused by anthropogenic activities have been reduced in the last decades. To assess the efficiency of emission reductions in improving air quality, we have studied the evolution of PM pollution in Europe. Simulations with six air quality models and observational data indicate a decrease in PM concentrations by 10 % to 30 % across Europe from 2000 to 2010, which is mainly a result of emission reductions.
Yuemeng Ji, Qiuju Shi, Xiaohui Ma, Lei Gao, Jiaxin Wang, Yixin Li, Yanpeng Gao, Guiying Li, Renyi Zhang, and Taicheng An
Atmos. Chem. Phys., 22, 7259–7271, https://doi.org/10.5194/acp-22-7259-2022, https://doi.org/10.5194/acp-22-7259-2022, 2022
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The formation mechanisms of secondary organic aerosol and brown carbon from small α-carbonyls are still unclear. Thus, the mechanisms and kinetics of aqueous-phase reactions of glyoxal were investigated using quantum chemical and kinetic rate calculations. Several essential isomeric processes were identified, including protonation to yield diol/tetrol and carbenium ions as well as nucleophilic addition of carbenium ions to diol/tetrol and free methylamine/ammonia.
Jiyuan Gao, Yang Yang, Hailong Wang, Pinya Wang, Huimin Li, Mengyun Li, Lili Ren, Xu Yue, and Hong Liao
Atmos. Chem. Phys., 22, 7131–7142, https://doi.org/10.5194/acp-22-7131-2022, https://doi.org/10.5194/acp-22-7131-2022, 2022
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China has been implementing a sequence of policies for clean air since the year 2013. The aerosol decline produced a 0.09 ± 0.10°C warming during 2013–2017 estimated in this study, and the increase in ozone in the lower troposphere during this time period accelerated the warming, leading to a total 0.16 ± 0.15°C temperature increase in eastern China. Residential emission reductions led to a cooling effect because of a substantial decrease in light-absorbing aerosols.
Vigneshkumar Balamurugan, Jia Chen, Zhen Qu, Xiao Bi, and Frank N. Keutsch
Atmos. Chem. Phys., 22, 7105–7129, https://doi.org/10.5194/acp-22-7105-2022, https://doi.org/10.5194/acp-22-7105-2022, 2022
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In this study, we investigated the response of secondary pollutants to changes in precursor emissions, focusing on the formation of secondary PM, during the COVID-19 lockdown period. We show that, due to the decrease in primary NOx emissions, atmospheric oxidizing capacity is increased. The nighttime increase in ozone, caused by less NO titration, results in higher NO3 radicals, which contribute significantly to the formation of PM nitrates. O3 should be limited in order to control PM pollution.
Eleftherios Ioannidis, Kathy S. Law, Jean-Christophe Raut, Louis Marelle, Tatsuo Onishi, Rachel M. Kirpes, Lucia Upchurch, Andreas Massling, Henrik Skov, Patricia K. Quinn, and Kerri A. Pratt
EGUsphere, https://doi.org/10.5194/egusphere-2022-310, https://doi.org/10.5194/egusphere-2022-310, 2022
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Enhanced concentrations of aerosols influence the Arctic region during wintertime and winter-spring transition, transported from mid-latitude source regions. However, there are also local anthropogenic and natural (sea-spray aerosols – SSA) sources. SSA are a major contributor to PM1.0/PM10 at remote coastal sites during wintertime, however, models tend to miss essential mechanisms for SSA production and local sources of marine organics in the Arctic. This study addresses these uncertainties.
An Ning, Ling Liu, Lin Ji, and Xiuhui Zhang
Atmos. Chem. Phys., 22, 6103–6114, https://doi.org/10.5194/acp-22-6103-2022, https://doi.org/10.5194/acp-22-6103-2022, 2022
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Iodic acid (IA) and methanesulfonic acid (MSA) were previously proved to be significant nucleation precursors in marine areas. However, the nucleation process involved in IA and MSA remains unclear. We show the enhancement of MSA on IA cluster formation and reveal the IAM-SA nucleating mechanism using a theoretical approach. This study helps to understand the clustering process in which marine sulfur- and iodine-containing species are jointly involved and its impact on new particle formation.
Haoran Zhang, Nan Li, Keqin Tang, Hong Liao, Chong Shi, Cheng Huang, Hongli Wang, Song Guo, Min Hu, Xinlei Ge, Mindong Chen, Zhenxin Liu, Huan Yu, and Jianlin Hu
Atmos. Chem. Phys., 22, 5495–5514, https://doi.org/10.5194/acp-22-5495-2022, https://doi.org/10.5194/acp-22-5495-2022, 2022
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We developed a new algorithm with low economic/technique costs to identify primary and secondary components of PM2.5. Our model was shown to be reliable by comparison with different observation datasets. We systematically explored the patterns and changes in the secondary PM2.5 pollution in China at large spatial and time scales. We believe that this method is a promising tool for efficiently estimating primary and secondary PM2.5, and has huge potential for future PM mitigation.
Chao Gao, Aijun Xiu, Xuelei Zhang, Qingqing Tong, Hongmei Zhao, Shichun Zhang, Guangyi Yang, and Mengduo Zhang
Atmos. Chem. Phys., 22, 5265–5329, https://doi.org/10.5194/acp-22-5265-2022, https://doi.org/10.5194/acp-22-5265-2022, 2022
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With ever-growing applications of two-way coupled meteorology and air quality models in Asia over the past decade, this paper summarizes the current status and research focuses, as well as how aerosol effects impact model performance, meteorology, and air quality. These models enable investigations of ARI and ACI effects induced by natural and anthropogenic aerosols in Asia, which has serious air pollution problems. The current gaps and perspectives are also presented and discussed.
Susannah M. Burrows, Richard C. Easter, Xiaohong Liu, Po-Lun Ma, Hailong Wang, Scott M. Elliott, Balwinder Singh, Kai Zhang, and Philip J. Rasch
Atmos. Chem. Phys., 22, 5223–5251, https://doi.org/10.5194/acp-22-5223-2022, https://doi.org/10.5194/acp-22-5223-2022, 2022
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Sea spray particles are composed of a mixture of salts and organic substances from oceanic microorganisms. In prior work, our team developed an approach connecting sea spray chemistry to ocean biology, called OCEANFILMS. Here we describe its implementation within an Earth system model, E3SM. We show that simulated sea spray chemistry is consistent with observed seasonal cycles and that sunlight reflected by simulated Southern Ocean clouds increases, consistent with analysis of satellite data.
Jiandong Wang, Jia Xing, Shuxiao Wang, Rohit Mathur, Jiaping Wang, Yuqiang Zhang, Chao Liu, Jonathan Pleim, Dian Ding, Xing Chang, Jingkun Jiang, Peng Zhao, Shovan Kumar Sahu, Yuzhi Jin, David C. Wong, and Jiming Hao
Atmos. Chem. Phys., 22, 5147–5156, https://doi.org/10.5194/acp-22-5147-2022, https://doi.org/10.5194/acp-22-5147-2022, 2022
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Aerosols reduce surface solar radiation and change the photolysis rate and planetary boundary layer stability. In this study, the online coupled meteorological and chemistry model was used to explore the detailed pathway of how aerosol direct effects affect secondary inorganic aerosol. The effects through the dynamics pathway act as an equally or even more important route compared with the photolysis pathway in affecting secondary aerosol concentration in both summer and winter.
Adam Milsom, Adam M. Squires, Andrew D. Ward, and Christian Pfrang
Atmos. Chem. Phys., 22, 4895–4907, https://doi.org/10.5194/acp-22-4895-2022, https://doi.org/10.5194/acp-22-4895-2022, 2022
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Cooking emissions can self-organise into nanostructured lamellar bilayers, and this can influence reaction kinetics. We developed a kinetic multi-layer model-based description of decay data we obtained from laboratory experiments of the ozonolysis of coated films of such a self-organised system, demonstrating a decreased diffusivity for both oleic acid and ozone. Nanostructure formation can thus increase the reactive half-life of oleic acid by days under typical indoor and outdoor conditions.
Suxia Yang, Bin Yuan, Yuwen Peng, Shan Huang, Wei Chen, Weiwei Hu, Chenglei Pei, Jun Zhou, David D. Parrish, Wenjie Wang, Xianjun He, Chunlei Cheng, Xiao-Bing Li, Xiaoyun Yang, Yu Song, Haichao Wang, Jipeng Qi, Baolin Wang, Chen Wang, Chaomin Wang, Zelong Wang, Tiange Li, E Zheng, Sihang Wang, Caihong Wu, Mingfu Cai, Chenshuo Ye, Wei Song, Peng Cheng, Duohong Chen, Xinming Wang, Zhanyi Zhang, Xuemei Wang, Junyu Zheng, and Min Shao
Atmos. Chem. Phys., 22, 4539–4556, https://doi.org/10.5194/acp-22-4539-2022, https://doi.org/10.5194/acp-22-4539-2022, 2022
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We use a model constrained using observations to study the formation of nitrate aerosol in and downwind of a representative megacity. We found different contributions of various chemical reactions to ground-level nitrate concentrations between urban and suburban regions. We also show that controlling VOC emissions are effective for decreasing nitrate formation in both urban and regional environments, although VOCs are not direct precursors of nitrate aerosol.
Hao Yang, Lei Chen, Hong Liao, Jia Zhu, Wenjie Wang, and Xin Li
Atmos. Chem. Phys., 22, 4101–4116, https://doi.org/10.5194/acp-22-4101-2022, https://doi.org/10.5194/acp-22-4101-2022, 2022
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Aerosols can influence O3 through aerosol–radiation interactions, including aerosol–photolysis interaction (API) and aerosol–radiation feedback (ARF). The weakened photolysis rates and changed meteorological conditions reduce surface-layer O3 concentrations by up to 9.3–11.4 ppb, with API and ARF contributing 74.6 %–90.0 % and 10.0 %–25.4 % of the O3 decrease in three episodes, respectively, which indicates that API is the dominant way for O3 reduction related to aerosol–radiation interactions.
Patricia Tarín-Carrasco, Ulas Im, Camilla Geels, Laura Palacios-Peña, and Pedro Jiménez-Guerrero
Atmos. Chem. Phys., 22, 3945–3965, https://doi.org/10.5194/acp-22-3945-2022, https://doi.org/10.5194/acp-22-3945-2022, 2022
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The evidence of the effects of atmospheric pollution (and particularly fine particulate matter, PM2.5) on human mortality is now unquestionable. Here, 895 000 annual premature deaths (PD) are estimated for the present (1991–2010), which increases to 1 540 000 in the year 2050 due to the ageing of the European population. The implementation of a mitigation scenario (80 % of the energy production in Europe from renewable sources) could lead to a decrease of over 60 000 annual PD for the year 2050.
Xiajie Yang, Qiaoqiao Wang, Nan Ma, Weiwei Hu, Yang Gao, Zhijiong Huang, Junyu Zheng, Bin Yuan, Ning Yang, Jiangchuan Tao, Juan Hong, Yafang Cheng, and Hang Su
Atmos. Chem. Phys., 22, 3743–3762, https://doi.org/10.5194/acp-22-3743-2022, https://doi.org/10.5194/acp-22-3743-2022, 2022
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We use the GEOS-Chem model with additional anthropogenic and biomass burning chlorine emissions combined with updated parameterizations for N2O5 + Cl chemistry to investigate the impacts of chlorine chemistry on air quality in China. Our study not only significantly improves the model's performance but also demonstrates the importance of non-sea-salt chlorine sources as well as an appropriate parameterization for N2O5 + Cl chemistry to the impact of chlorine chemistry in China.
Long Chen, Yu Huang, Yonggang Xue, Zhihui Jia, and Wenliang Wang
Atmos. Chem. Phys., 22, 3693–3711, https://doi.org/10.5194/acp-22-3693-2022, https://doi.org/10.5194/acp-22-3693-2022, 2022
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Quantum chemical methods are applied to gain insight into the detailed mechanisms of OH-initiated oxidation of distinct HHPs. The dominant pathway is H-abstraction from the -OOH group in the initiation reactions of the OH radical with HOCH2OOH and HOC(CH3)2OOH. H-abstraction from -CH group is competitive with that from the -OOH group in the reaction of the OH radical with HOCH(CH3)OOH. The barrier of H-abstraction from the -OOH group is slightly increased as the methyl group number increases.
Joseph Lilek and Andreas Zuend
Atmos. Chem. Phys., 22, 3203–3233, https://doi.org/10.5194/acp-22-3203-2022, https://doi.org/10.5194/acp-22-3203-2022, 2022
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Depending on temperature and chemical makeup, certain aerosols can be highly viscous or glassy, with atmospheric implications. We have therefore implemented two major upgrades to the predictive viscosity model AIOMFAC-VISC. First, we created a new viscosity model for aqueous electrolyte solutions containing an arbitrary number of ion species. Second, we integrated the electrolyte model within the existing AIOMFAC-VISC framework to enable viscosity predictions for organic–inorganic mixtures.
Rongjie Zhang, Jiewen Shen, Hong-Bin Xie, Jingwen Chen, and Jonas Elm
Atmos. Chem. Phys., 22, 2639–2650, https://doi.org/10.5194/acp-22-2639-2022, https://doi.org/10.5194/acp-22-2639-2022, 2022
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Formic acid is screened out as the species that can effectively catalyze the new particle formation (NPF) of the methanesulfonic acid (MSA)–methylamine system, indicating organic acids might be required to facilitate MSA-driven NPF in the atmosphere. The results are significant to comprehensively understand the MSA-driven NPF and expand current knowledge of the contribution of OAs to NPF.
Amina Khaled, Minghui Zhang, and Barbara Ervens
Atmos. Chem. Phys., 22, 1989–2009, https://doi.org/10.5194/acp-22-1989-2022, https://doi.org/10.5194/acp-22-1989-2022, 2022
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Chemical reactions with iron in clouds and aerosol form and cycle reactive oxygen species (ROS). Previous model studies assumed that all cloud droplets (particles) contain iron, while single-particle analyses showed otherwise. By means of a model, we explore the bias in predicted ROS budgets by distributing a given iron mass to either all or only a few droplets (particles). Implications for oxidation potential, radical loss and iron oxidation state are discussed.
Pablo Garcia Rivera, Brian T. Dinkelacker, Ioannis Kioutsioukis, Peter J. Adams, and Spyros N. Pandis
Atmos. Chem. Phys., 22, 2011–2027, https://doi.org/10.5194/acp-22-2011-2022, https://doi.org/10.5194/acp-22-2011-2022, 2022
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The contribution of various pollution sources to the variability of fine PM in an urban area was examined using as an example the city of Pittsburgh. Biomass burning aerosol shows the largest variability during the winter with local maxima within the city and in the suburbs. During both periods the largest contributing source to the average PM2.5 is particles from outside the modeling domain. The average population-weighted PM2.5 concentration does not change significantly with resolution.
Noelia Otero, Oscar E. Jurado, Tim Butler, and Henning W. Rust
Atmos. Chem. Phys., 22, 1905–1919, https://doi.org/10.5194/acp-22-1905-2022, https://doi.org/10.5194/acp-22-1905-2022, 2022
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Surface ozone and temperature are strongly dependent and their extremes might be exacerbated by underlying climatological drivers, such as atmospheric blocking. Using an observational data set, we measure the dependence structure between ozone and temperature under the influence of atmospheric blocking. Blocks enhanced the probability of occurrence of compound ozone and temperature extremes over northwestern and central Europe, leading to greater health risks.
Cited articles
Afreh, I. K., Barsanti, K. C., Bernard, A., and Camredon, M.: Using GECKO-A to derive mechanistic understanding of SOA formation from the ubiquitous but understudied camphene, Zenodo [data set], https://doi.org/10.5281/zenodo.5059693, 2021.
Akagi, S. K., Yokelson, R. J., Wiedinmyer, C., Alvarado, M. J., Reid, J. S., Karl, T., Crounse, J. D., and Wennberg, P. O.: Emission factors for open and domestic biomass burning for use in atmospheric models, Atmos. Chem. Phys., 11, 4039–4072, https://doi.org/10.5194/acp-11-4039-2011, 2011.
Akagi, S. K., Yokelson, R. J., Burling, I. R., Meinardi, S., Simpson, I., Blake, D. R., McMeeking, G. R., Sullivan, A., Lee, T., Kreidenweis, S., Urbanski, S., Reardon, J., Griffith, D. W. T., Johnson, T. J., and Weise, D. R.: Measurements of reactive trace gases and variable O3 formation rates in some South Carolina biomass burning plumes, Atmos. Chem. Phys., 13, 1141–1165, https://doi.org/10.5194/acp-13-1141-2013, 2013.
Almatarneh, M. H., Elayan, I. A., Poirier, R. A., and Altarawneh, M.: The ozonolysis of cyclic monoterpenes: A computational review, Can. J. Chem., 96, 281–292, https://doi.org/10.1139/cjc-2017-0587, 2018.
Ambrose, J. L., Haase, K., Russo, R. S., Zhou, Y., White, M. L.,
Frinak, E. K., Jordan, C., Mayne, H. R., Talbot, R., and Sive, B. C.: A
comparison of GC-FID and PTR-MS toluene measurements in ambient air under
conditions of enhanced monoterpene loading, Atmos. Meas. Tech., 3, 959–980, https://doi.org/10.5194/amt-3-959-2010, 2010.
Amin, H. S., Hatfield, M. L., and Huff Hartz, K. E.: Characterization of secondary organic aerosol generated from ozonolysis of α-pinene mixtures, Atmos. Environ., 67, 323–330, https://doi.org/10.1016/j.atmosenv.2012.10.063, 2013.
Atkinson, R. and Arey, J.: Atmospheric chemistry of biogenic Organic Compounds, Accounts Chem. Res., 31, 574–583, https://doi.org/10.1021/ar970143z, 1998.
Atkinson, R. and Arey, J.: Atmospheric degradation of volatile organic compounds, Chem. Rev., 103, 4605–4638, https://doi.org/10.1021/cr0206420, 2003a.
Atkinson, R. and Arey, J.: Gas-phase tropospheric chemistry of biogenic volatile organic compounds: A review, Atmos. Environ., 37, 197–219, https://doi.org/10.1016/S1352-2310(03)00391-1, 2003b.
Atkinson, R., Aschmann, S. M., and Arey, J.: Rate constants for the gas-phase reactions of OH and NO3 radicals and O3 with sabinene and camphene at 296±2 K, Atmos. Environ. A-Gen., 24, 2647–2654, https://doi.org/10.1016/0960-1686(90)90144-C, 1990.
Aumont, B., Szopa, S., and Madronich, S.: Modelling the evolution of organic carbon during its gas-phase tropospheric oxidation: development of an explicit model based on a self generating approach, Atmos. Chem. Phys., 5, 2497–2517, https://doi.org/10.5194/acp-5-2497-2005, 2005.
Aumont, B., Valorso, R., Mouchel-Vallon, C., Camredon, M., Lee-Taylor, J., and Madronich, S.: Modeling SOA formation from the oxidation of intermediate volatility n-alkanes, Atmos. Chem. Phys., 12, 7577–7589, https://doi.org/10.5194/acp-12-7577-2012, 2012.
Aumont, B., Camredon, M., Mouchel-Vallon, C., La, S., Ouzebidour, F., Valorso, R., Lee-Taylor, J., and Madronich, S.: Modeling the influence of alkane molecular structure on secondary organic aerosol formation, Faraday Discuss., 165, 105–122, https://doi.org/10.1039/c3fd00029j, 2013.
Bäck, J., Aalto, J., Henriksson, M., Hakola, H., He, Q., and Boy, M.: Chemodiversity of a Scots pine stand and implications for terpene air concentrations, Biogeosciences, 9, 689–702, https://doi.org/10.5194/bg-9-689-2012, 2012.
Bakker-Arkema, J. G., and Ziemann, P. J.: Measurements of kinetics and equilibria for the condensed phase reactions of hydroperoxides with carbonyls to form peroxyhemiacetals, ACS Earth Space Chem., 4, 467–475, https://doi.org/10.1021/acsearthspacechem.0c00008, 2020.
Barsanti, K. C., Kroll, J. H., and Thornton, J. A.: Formation of Low-Volatility Organic Compounds in the Atmosphere: Recent Advancements and Insights, J. Phys. Chem. Lett., 8, 1503–1511, https://doi.org/10.1021/acs.jpclett.6b02969, 2017.
Baruah, S. D., Gour, N. K., Sarma, P. J., and Deka, R. C.: OH-initiated mechanistic pathways and kinetics of camphene and fate of product radical: a DFT approach. Environ, Sci. Pollut. R., 25, 2147–2156, https://doi.org/10.1007/s11356-017-0646-2, 2018.
Bianchi, F., Kurtén, T., Riva, M., Mohr, C., Rissanen, M. P., Roldin, P., Berndt, T., Crounse, J. D., Wennberg, P. O., Mentel, T. F., Wildt, J., Junninen, H., Jokinen, T., Kulmala, M., Worsnop, D. R., Thornton, J. A., Donahue, N., Kjaergaard, H. G., and Ehn, M.: Highly Oxygenated Organic Molecules (HOM) from Gas-Phase Autoxidation Involving Peroxy Radicals: A Key Contributor to Atmospheric Aerosol, Chem. Rev., 119, 3472–3509, https://doi.org/10.1021/acs.chemrev.8b00395, 2019.
Boyd, C. M., Nah, T., Xu, L., Berkemeier, T., and Ng, N. L.: Secondary organic aerosol (SOA) from nitrate radical oxidation of monoterpenes: Effects of temperature, dilution, and humidity on aerosol formation, mixing, and evaporation, Environ. Sci. Technol., 51, 7831–7841, https://doi.org/10.1021/acs.est.7b01460, 2017.
Calogirou, A., Larsen, B. R., and Kotzias, D.: Gas-phase terpene oxidation products: A review, Atmos. Environ., 33, 1423–1439, https://doi.org/10.1016/S1352-2310(98)00277-5, 1999.
Camredon, M., Aumont, B., Lee-Taylor, J., and Madronich, S.: The system: an explicit model of secondary organic aerosol formation, Atmos. Chem. Phys., 7, 5599–5610, https://doi.org/10.5194/acp-7-5599-2007, 2007.
Carter, W. P. L.: Development of a condensed SAPRC-07 chemical mechanism, Atmos. Environ., 44, 5336–5345, https://doi.org/10.1016/j.atmosenv.2010.01.024, 2010.
Chen, F., Zhou, H., Gao, J., and Hopke, P. K.: A chamber study of secondary organic aerosol (SOA) formed by ozonolysis of d-limonene in the presence of NO, Aerosol Air Qual. Res., 17, 59–68, https://doi.org/10.4209/aaqr.2016.01.0029, 2017.
Chen, Q., Liu, Y., Donahue, N. M., Shilling, J. E., and Martin, S. T.: Particle-phase chemistry of secondary organic material: Modeled compared to measured O:C and H:C elemental ratios provide constraints, Environ. Sci. Technol., 45, 4763–4770, https://doi.org/10.1021/es104398s, 2011.
Chhabra, P. S., Flagan, R. C., and Seinfeld, J. H.: Elemental analysis of chamber organic aerosol using an aerodyne high-resolution aerosol mass spectrometer, Atmos. Chem. Phys., 10, 4111–4131, https://doi.org/10.5194/acp-10-4111-2010, 2010.
Chhabra, P. S., Ng, N. L., Canagaratna, M. R., Corrigan, A. L., Russell, L. M., Worsnop, D. R., Flagan, R. C., and Seinfeld, J. H.: Elemental composition and oxidation of chamber organic aerosol, Atmos. Chem. Phys., 11, 8827–8845, https://doi.org/10.5194/acp-11-8827-2011, 2011.
Chuang, W. K. and Donahue, N. M.: A two-dimensional volatility basis set – Part 3: Prognostic modeling and NOx dependence, Atmos. Chem. Phys., 16, 123–134, https://doi.org/10.5194/acp-16-123-2016, 2016.
Claflin, M. S., Krechmer, J. E., Hu, W., Jimenez, J. L., and Ziemann, P. J.: Functional group composition of secondary organic aerosol formed from ozonolysis of α-pinene under high VOC and autoxidation conditions, ACS Earth Space Chem., 2, 1196–1210, https://doi.org/10.1021/acsearthspacechem.8b00117, 2018.
Draper, D. C., Farmer, D. K., Desyaterik, Y., and Fry, J. L.: A qualitative comparison of secondary organic aerosol yields and composition from ozonolysis of monoterpenes at varying concentrations of NO2, Atmos. Chem. Phys., 15, 12267–12281, https://doi.org/10.5194/acp-15-12267-2015, 2015.
Ehn, M., Thornton, J. A., Kleist, E., Sipilä, M., Junninen, H., Pullinen, I., Springer, M., Rubach, F., Tillmann, R., Lee, B., Lopez-Hilfiker, F., Andres, S., Acir, I. H., Rissanen, M., Jokinen, T., Schobesberger, S., Kangasluoma, J., Kontkanen, J., Nieminen, T., Kurtén, T., Nielsen, L. B., Jørgensen, S., Kjaergaard, H. G., Canagaratna M., Maso, M. D., Berndt, T., Petäjä, T., Wahner, A., Kerminen, V. M., Kulmala, M., Worsnop, D. R., Wildt, J., Mentel, T. F.: A large source of low-volatility secondary organic aerosol, Nature, 506, 476–479, https://doi.org/10.1038/nature13032, 2014.
Fehsenfeld, F., Calvert, J., Fall, R., Goldan, P., Guenther, A. B., Hewitt, C. N., Lamb, B., Liu, S., Trainer, M., Westberg, H., and Zimmerman, P.: Emissions of volatile organic compounds from vegetation and the implications for atmospheric chemistry, Global Biogeochem. Cy., 6, 389–430, https://doi.org/10.1029/92GB02125, 1992.
Friedman, B. and Farmer, D. K.: SOA and gas phase organic acid yields from the sequential photooxidation of seven monoterpenes, Atmos. Environ., 187, 335–345, https://doi.org/10.1016/j.atmosenv.2018.06.003, 2018.
Fry, J. L., Draper, D. C., Barsanti, K. C., Smith, J. N., Ortega, J., Winkler, P. M., Lawler, M. J., Brown, S. S., Edwards, P. M., Cohen, R. C., and Lee, L.: Secondary organic aerosol formation and organic nitrate yield from NO3 oxidation of biogenic hydrocarbons, Environ. Sci. Technol., 48, 11944–11953, https://doi.org/10.1021/es502204x, 2014.
Gaona-Colmán, E., Blanco, M. B., Barnes, I., Wiesen, P., and Teruel, M. A.: OH- and O3-initiated atmospheric degradation of camphene: Temperature dependent rate coefficients, product yields and mechanisms, RSC Adv., 7, 2733–2744, https://doi.org/10.1039/c6ra26656h, 2017.
Geron, C., Rasmussen, R., Arnts, R. R., and Guenther, A.: A review and synthesis of monoterpene speciation from forests in the United States, Atmos. Environ., 34, 1761–1781, https://doi.org/10.1016/S1352-2310(99)00364-7, 2000.
Gilman, J. B., Lerner, B. M., Kuster, W. C., Goldan, P. D., Warneke, C., Veres, P. R., Roberts, J. M., de Gouw, J. A., Burling, I. R., and Yokelson, R. J.: Biomass burning emissions and potential air quality impacts of volatile organic compounds and other trace gases from fuels common in the US, Atmos. Chem. Phys., 15, 13915–13938, https://doi.org/10.5194/acp-15-13915-2015, 2015.
Griffin, R. J., Cocker, D. R., Flagan, R. C., and Seinfeld, J. H.: Organic aerosol formation from the oxidation of biogenic hydrocarbons, J. Geophys. Res.-Atmos., 104, 3555–3567, https://doi.org/10.1029/1998JD100049, 1999.
Guenther, A., Hewitt, C. N., Erickson, D., Fall, R., Geron, C., Graedel, T., Harley, P., Klinger, L., Lerdau, M., Mckay, W. A., Pierce, T., Scholes, B., Steinbrecher, R., Tallamraju, R., Taylor, J., and Zimmerman, P.: A global model of natural volatile organic compound emission, J. Geophys. Res., 100, 8873–8892, https://doi.org/10.1029/94JD02950, 1995.
Hakola, H., Arey, J., Aschmann, S. M., and Atkinson, R.: Product formation from the gas-phase reactions of OH radicals and O3 with a series of monoterpenes, J. Atmos. Chem., 18, 75–102, https://doi.org/10.1007/BF00694375, 1994.
Hallquist, M., Wängberg, I., Ljungström, E., Barnes, I., and Becker, K. H.: Aerosol and product yields from NO3 radical-initiated oxidation of selected monoterpenes, Environ. Sci. Technol., 33, 553–559, https://doi.org/10.1021/es980292s, 1999.
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., Jen, C. N., Kreisberg, N. M., Selimovic, V., Yokelson, R. J., Stamatis, C., York, R. A., Foster, D., Stephens, S. L., Goldstein, A. H., and Barsanti, K. C.: Highly speciated measurements of terpenoids emitted from laboratory and mixed-conifer forest prescribed fires, Environ. Sci. Technol., 53, 9418–9428, https://doi.org/10.1021/acs.est.9b02612, 2019.
Hatfield, M. L. and Huff Hartz, K. E.: Secondary organic aerosol from biogenic volatile organic compound mixtures, Atmos. Environ., 45, 2211–2219, https://doi.org/10.1016/j.atmosenv.2011.01.065, 2011.
Hayward, S., Muncey, R. J., James, A. E., Halsall, C. J., and Hewitt, C. N.: Monoterpene emissions from soil in a Sitka spruce forest, Atmos. Environ., 35, 4081–4087, https://doi.org/10.1016/S1352-2310(01)00213-8, 2001.
Heaton, K. J., Dreyfus, M. A., Wang, S., and Johnston, M. v.: Oligomers in the early stage of biogenic secondary organic aerosol formation and growth, Environ. Sci. Technol., 41, 6129–6136, https://doi.org/10.1021/es070314n, 2007.
Jacobson, M. C., Hansson, H. C., Noone, K. J., and Charlson, R. J.: Organic atmospheric aerosols: Review and state of the science, Rev. Geophys., 38, 267–294, https://doi.org/10.1029/1998RG000045, 2000.
Jang, M. and Kamens, R. M.: Newly characterized products and composition of secondary aerosols from the reaction of α-pinene with ozone, Atmos. Environ., 33, 459–474, https://doi.org/10.1016/S1352-2310(98)00222-2, 1999.
Jokinen, T., Berndt, T., Makkonen, R., Kerminen, V.-M., Junninen, H., Paasonen, P., Stratmann, F., Herrmann, H., Guenther, A. B., Worsnop, D. R., Kulmala, M., Ehn, M., and Sipilä, M.: Production of extremely low volatile organic compounds from biogenic emissions: Measured yields and atmospheric implications, P. Natl. Acad. Sci. USA, 112, 7123–7128, https://doi.org/10.1073/pnas.1423977112, 2015.
Kanakidou, M., Seinfeld, J. H., Pandis, S. N., Barnes, I.,
Dentener, F. J., Facchini, M. C., Van Dingenen, R., Ervens, B., Nenes, A.,
Nielsen, C. J., Swietlicki, E., Putaud, J. P., Balkanski, Y., Fuzzi, S.,
Horth, J., Moortgat, G. K., Winterhalter, R., Myhre, C. E. L., Tsigaridis, K.,
Vignati, E., Stephanou, E. G., and Wilson, J.: Organic aerosol and global
climate modelling: a review, Atmos. Chem. Phys., 5, 1053–1123,
https://doi.org/10.5194/acp-5-1053-2005, 2005.
Kenseth, C. M., Huang, Y., Zhao, R., Dalleska, N. F., Hethcox, J. C., Stoltz, B. M., and Seinfeld, J. H.: Synergistic O3+OH oxidation pathway to extremely low-volatility dimers revealed in β-pinene secondary organic aerosol, P. Natl. Acad. Sci. USA, 115, 8301–8306, https://doi.org/10.1073/pnas.1804671115, 2018.
Kesselmeier, J. and Staudt, M.: Biogenic volatile organic compounds (VOC): An overview on emission, physiology and ecology, J. Atmos. Chem., 33, 23–88, https://doi.org/10.1023/A:1006127516791, 1999.
Kim, H. and Paulson, S. E.: Real refractive indices and volatility of secondary organic aerosol generated from photooxidation and ozonolysis of limonene, α-pinene and toluene, Atmos. Chem. Phys., 13, 7711–7723, https://doi.org/10.5194/acp-13-7711-2013, 2013.
Kim, S., Karl, T., Guenther, A., Tyndall, G., Orlando, J., Harley, P., Rasmussen, R., and Apel, E.: Emissions and ambient distributions of Biogenic Volatile Organic Compounds (BVOC) in a ponderosa pine ecosystem: interpretation of PTR-MS mass spectra, Atmos. Chem. Phys., 10, 1759–1771, https://doi.org/10.5194/acp-10-1759-2010, 2010.
Kourtchev, I., Fuller, S. J., Giorio, C., Healy, R. M., Wilson, E., O'Connor, I., Wenger, J. C., McLeod, M., Aalto, J., Ruuskanen, T. M., Maenhaut, W., Jones, R., Venables, D. S., Sodeau, J. R., Kulmala, M., and Kalberer, M.: Molecular composition of biogenic secondary organic aerosols using ultrahigh-resolution mass spectrometry: comparing laboratory and field studies, Atmos. Chem. Phys., 14, 2155–2167, https://doi.org/10.5194/acp-14-2155-2014, 2014.
Kourtchev, I., Doussin, J.-F., Giorio, C., Mahon, B., Wilson, E. M., Maurin, N., Pangui, E., Venables, D. S., Wenger, J. C., and Kalberer, M.: Molecular composition of fresh and aged secondary organic aerosol from a mixture of biogenic volatile compounds: a high-resolution mass spectrometry study, Atmos. Chem. Phys., 15, 5683–5695, https://doi.org/10.5194/acp-15-5683-2015, 2015.
Kundu, S., Fisseha, R., Putman, A. L., Rahn, T. A., and Mazzoleni, L. R.: High molecular weight SOA formation during limonene ozonolysis: insights from ultrahigh-resolution FT-ICR mass spectrometry characterization, Atmos. Chem. Phys., 12, 5523–5536, https://doi.org/10.5194/acp-12-5523-2012, 2012.
La, Y. S., Camredon, M., Ziemann, P. J., Valorso, R., Matsunaga, A., Lannuque, V., Lee-Taylor, J., Hodzic, A., Madronich, S., and Aumont, B.: Impact of chamber wall loss of gaseous organic compounds on secondary organic aerosol formation: explicit modeling of SOA formation from alkane and alkene oxidation, Atmos. Chem. Phys., 16, 1417–1431, https://doi.org/10.5194/acp-16-1417-2016, 2016.
Lambe, A. T., Chhabra, P. S., Onasch, T. B., Brune, W. H., Hunter, J. F., Kroll, J. H., Cummings, M. J., Brogan, J. F., Parmar, Y., Worsnop, D. R., Kolb, C. E., and Davidovits, P.: Effect of oxidant concentration, exposure time, and seed particles on secondary organic aerosol chemical composition and yield, Atmos. Chem. Phys., 15, 3063–3075, https://doi.org/10.5194/acp-15-3063-2015, 2015.
Larsen, B. R., di Bella, D., Glasius, M., Winterhalter, R., Jensen, N. R., and Hjorth, J.: Gas-phase OH oxidation of monoterpenes: Gaseous and particulate products, J. Atmos. Chem., 38, 231–276, https://doi.org/10.1023/A:1006487530903, 2001.
Lee, A., Goldstein, A. H., Keywood, M. D., Gao, S., Varutbangkul, V., Bahreini, R., Ng, N. L., Flagan, R. C., and Seinfeld, J. H.: Gas-phase products and secondary aerosol yields from the ozonolysis of ten different terpenes, J. Geophys. Res.-Atmos., 111, D07302. https://doi.org/10.1029/2005JD006437, 2006a.
Lee, A., Goldstein, A. H., Kroll, J. H., Ng, N. L., Varutbangkul, V., Flagan, R. C., and Seinfeld, J. H.: Gas-phase products and secondary aerosol yields from the photooxidation of 16 different terpenes, J. Geophys. Res.-Atmos., 111, D17305, https://doi.org/10.1029/2006JD007050, 2006b.
Ludley, Katherine. E., Jickells, S. M., Chamberlain, P. M., Whitaker, J., and Robinson, C. H.: Distribution of monoterpenes between organic resources in upper soil horizons under monocultures of Picea abies, Picea sitchensis and Pinus Sylvestris, Soil Biol. Biochem., 41, 1050–1059, https://doi.org/10.1016/J.SOILBIO.2009.02.002, 2009.
Maleknia, S. D., Bell, T. L., and Adams, M. A.: PTR-MS analysis of reference and plant-emitted volatile organic compounds, Int. J. Mass Spectrom., 262, 203–210, https://doi.org/10.1016/j.ijms.2006.11.010, 2007.
McVay, R. C., Zhang, X., Aumont, B., Valorso, R., Camredon, M., La, Y. S., Wennberg, P. O., and Seinfeld, J. H.: SOA formation from the photooxidation of α-pinene: systematic exploration of the simulation of chamber data, Atmos. Chem. Phys., 16, 2785–2802, https://doi.org/10.5194/acp-16-2785-2016, 2016.
Nah, T., McVay, R. C., Zhang, X., Boyd, C. M., Seinfeld, J. H.,
and Ng, N. L.: Influence of seed aerosol surface area and oxidation rate on
vapor wall deposition and SOA mass yields: a case study with α-pinene
ozonolysis, Atmos. Chem. Phys., 16, 9361–9379,
https://doi.org/10.5194/acp-16-9361-2016, 2016.
Nannoolal, Y., Rarey, J., and Ramjugernath, D.: Estimation of pure component properties part 3. Estimation of the vapor pressure of non-electrolyte organic compounds via group contribution and group interactions, Fluid Phase Equilibr., 269, 117–133, https://doi.org/10.1016/j.fluid.2008.04.020, 2008.
Ng, N. L., Chhabra, P. S., Chan, A. W. H., Surratt, J. D., Kroll, J. H., Kwan, A. J., McCabe, D. C., Wennberg, P. O., Sorooshian, A., Murphy, S. M., Dalleska, N. F., Flagan, R. C., and Seinfeld, J. H.: Effect of NOx level on secondary organic aerosol (SOA) formation from the photooxidation of terpenes, Atmos. Chem. Phys., 7, 5159–5174, https://doi.org/10.5194/acp-7-5159-2007, 2007.
Odum Jay, R., Hoffmann, T., Bowman, F., Collins, D., Flagan Richard, C., and Seinfeld John, H.: Gas particle partitioning and secondary organic aerosol yields, Environ. Sci. Technol., 30, 2580–2585, https://doi.org/10.1021/es950943+, 1996.
Pankow, J. F.: An absorption model of gas/particle partitioning of organic compounds in the atmosphere, Atmos. Environ., 28, 185–188, https://doi.org/10.1016/1352-2310(94)90093-0, 1994.
Pathak, R. K., Presto, A. A., Lane, T. E., Stanier, C. O., Donahue, N. M., and Pandis, S. N.: Ozonolysis of α-pinene: parameterization of secondary organic aerosol mass fraction, Atmos. Chem. Phys., 7, 3811–3821, https://doi.org/10.5194/acp-7-3811-2007, 2007a.
Pathak, R. K., Stanier, C. O., Donahue, N. M., and Pandis, S. N.: Ozonolysis of α-pinene at atmospherically relevant concentrations: Temperature dependence of aerosol mass fractions (yields), J. Geophys. Res.-Atmos., 112, 1–8, https://doi.org/10.1029/2006JD007436, 2007b.
Peeters, J., Vereecken, L., and Fantechi, G.: The detailed mechanism of the OH-initiated atmospheric oxidation of α-pinene: A theoretical study, Phys. Chem. Chem. Phys., 3, 5489–5504, https://doi.org/10.1039/b106555f, 2001.
Pfaffenberger, L., Barmet, P., Slowik, J. G., Praplan, A. P., Dommen, J., Prévôt, A. S. H., and Baltensperger, U.: The link between organic aerosol mass loading and degree of oxygenation: an α-pinene photooxidation study, Atmos. Chem. Phys., 13, 6493–6506, https://doi.org/10.5194/acp-13-6493-2013, 2013.
Presto, A. A. and Donahue, N. M.: Investigation of α-pinene + ozone secondary organic aerosol formation at low total aerosol mass, Environ. Sci. Technol., 40, 3536–3543, https://doi.org/10.1021/es052203z, 2006.
Presto, A. A., Huff Hartz, K. E., and Donahue, N. M.: Secondary organic aerosol production from terpene ozonolysis. 2. Effect of NOx concentration, Environ. Sci. Technol., 39, 7046–7054, https://doi.org/10.1021/es050400s, 2005.
Reinhardt, A., Emmenegger, C., Gerrits, B., Panse, C., Dommen, J., Baltensperger, U., Zenobi, R., and Kalberer, M.: Ultrahigh mass resolution and accurate mass measurements as a tool to characterize oligomers in secondary organic aerosols, Anal. Chem., 79, 4074–4082, https://doi.org/10.1021/ac062425v, 2007.
Reissell, A., Harry, C., Aschmann, S. M., Atkinson, R., and Arey, J.: Formation of acetone from the OH radical- and O3-initiated reactions of a series of monoterpenes, J. Geophys. Res.-Atmos., 104, 13869–13879, https://doi.org/10.1029/1999JD900198, 1999.
Rinne, J., Tuovinen, J. P., Laurila, T., Hakola, H., Aurela, M., and Hypén, H.: Measurements of hydrocarbon fluxes by a gradient method above a northern boreal forest, Agr. Forest Meteorol., 102, 25–37, https://doi.org/10.1016/S0168-1923(00)00088-5, 2000.
Saha, P. K. and Grieshop, A. P.: Exploring divergent volatility properties from yield and thermodenuder measurements of secondary organic aerosol from α-pinene ozonolysis, Environ. Sci. Technol., 50, 5740–5749, https://doi.org/10.1021/acs.est.6b00303, 2016.
Shilling, J. E., Chen, Q., King, S. M., Rosenoern, T., Kroll, J. H., Worsnop, D. R., DeCarlo, P. F., Aiken, A. C., Sueper, D., Jimenez, J. L., and Martin, S. T.: Loading-dependent elemental composition of α-pinene SOA particles, Atmos. Chem. Phys., 9, 771–782, https://doi.org/10.5194/acp-9-771-2009, 2009.
Simpson, I. J., Akagi, S. K., Barletta, B., Blake, N. J., Choi, Y., Diskin, G. S., Fried, A., Fuelberg, H. E., Meinardi, S., Rowland, F. S., Vay, S. A., Weinheimer, A. J., Wennberg, P. O., Wiebring, P., Wisthaler, A., Yang, M., Yokelson, R. J., and Blake, D. R.: Boreal forest fire emissions in fresh Canadian smoke plumes: C1−C10 volatile organic compounds (VOCs), CO2, CO, NO2, NO, HCN and CH3CN, Atmos. Chem. Phys., 11, 6445–6463, https://doi.org/10.5194/acp-11-6445-2011, 2011.
Steinbrecher, R., Hauff, K., Rössler, J., Dürr, M., and Seufert, G.: Monoterpene emission from soils in orange plantations of the Valencian Citrus belt, Spain, Phys. Chem. Earth Pt. B, 24, 695–698, https://doi.org/10.1016/S1464-1909(99)00067-2, 1999.
Stockwell, W. R., Kirchner, F., Kuhn, M., and Seefeld, S.: A new mechanism for regional atmospheric chemistry modeling, J. Geophys. Res.-Atmos., 102, 25847–25879, https://doi.org/10.1029/97jd00849, 1997.
Tani, A., Hayward, S., and Hewitt, C. N.: Measurement of monoterpenes and related compounds by proton transfer reaction-mass spectrometry (PTR-MS), Int. J. Mass Spectrom., 223–224, 561–578, https://doi.org/10.1016/S1387-3806(02)00880-1, 2003.
Valorso, R., Aumont, B., Camredon, M., Raventos-Duran, T., Mouchel-Vallon, C., Ng, N. L., Seinfeld, J. H., Lee-Taylor, J., and Madronich, S.: Explicit modelling of SOA formation from α-pinene photooxidation: sensitivity to vapour pressure estimation, Atmos. Chem. Phys., 11, 6895–6910, https://doi.org/10.5194/acp-11-6895-2011, 2011.
Vereecken, L. and Nozière, B.: H migration in peroxy radicals under atmospheric conditions, Atmos. Chem. Phys., 20, 7429–7458, https://doi.org/10.5194/acp-20-7429-2020, 2020.
Walser, M. L., Desyaterik, Y., Laskin, J., Laskin, A., and Nizkorodov, S. A.: High-resolution mass spectrometric analysis of secondary organic aerosol produced by ozonation of limonene, Phys. Chem. Chem. Phys., 10, 1009–1022, https://doi.org/10.1039/b712620d, 2008.
White, M. L., Russo, R. S., Zhou, Y., Mao, H., Varner, R. K., Ambrose, J., Veres, P., Wingenter, O. W., Haase, K., Stutz, J., Talbot, R., and Sive, B. C.: Volatile organic compounds in northern New England marine and continental environments during the ICARTT 2004 campaign, J. Geophys. Res.-Atmos., 113, 1–16, https://doi.org/10.1029/2007JD009161, 2008.
Wisthaler, A., Jensen, N. R., Winterhalter, R., Lindinger, W., and Hjorth, J.: Measurements of acetone and other gas phase product yields from the OH-initiated oxidation of terpenes by proton-transfer-reaction mass spectrometry (PTR-MS), Atmos. Environ., 35, 6181–6191, https://doi.org/10.1016/S1352-2310(01)00385-5, 2001.
Yáñez-Serrano, A. M., Nölscher, A. C., Bourtsoukidis, E., Gomes Alves, E., Ganzeveld, L., Bonn, B., Wolff, S., Sa, M., Yamasoe, M., Williams, J., Andreae, M. O., and Kesselmeier, J.: Monoterpene chemical speciation in a tropical rainforest:variation with season, height, and time of dayat the Amazon Tall Tower Observatory (ATTO), Atmos. Chem. Phys., 18, 3403–3418, https://doi.org/10.5194/acp-18-3403-2018, 2018.
Yassaa, N., Peeken, I., Zllner, E., Bluhm, K., Arnold, S., Spracklen, D., and Williams, J.: Evidence for marine production of monoterpenes, Environ. Chem., 5, 391–401, https://doi.org/10.1071/EN08047, 2008.
Yu, J., Cocker III, D. R., Griffin, R. J., Flagan, R. C., and Seinfeld, J. H.: Gas-Phase Ozone Oxidation of Monoterpenes: Gaseous and Particulate Products, J. Atmos. Chem., 34, 207–258, https://doi.org/10.1023/A:1006254930583, 1999.
Zhang, J., Huff Hartz, K. E., Pandis, S. N., and Donahue, N. M.: Secondary organic aerosol formation from limonene Ozonolysis: Homogeneous and heterogeneous influences as a function of NOx, J. Phys. Chem. A., 110, 11053–11063, https://doi.org/10.1021/jp062836f, 2006.
Zhang, X, McVay, R. C., Huang, D. D., Dalleska, N. F., Aumont, B., Flagan, R. C., and Seinfeld, J. H.: Formation and evolution of molecular products in alpha-pinene secondary organic aerosol, P. Natl. Acad. Sci. USA, 112, 14168–14173, https://doi.org/10.1073/pnas.1517742112, 2015.
Zhao, D., Schmitt, S. H., Wang, M., Acir, I.-H., Tillmann, R., Tan, Z., Novelli, A., Fuchs, H., Pullinen, I., Wegener, R., Rohrer, F., Wildt, J., Kiendler-Scharr, A., Wahner, A., and Mentel, T. F.: Effects of NOx and SO2 on the secondary organic aerosol formation from photooxidation of α-pinene and limonene, Atmos. Chem. Phys., 18, 1611–1628, https://doi.org/10.5194/acp-18-1611-2018, 2018.
Ziemann, P. J. and Atkinson, R.: Kinetics, products, and mechanisms of secondary organic aerosol formation, Chem. Soc. Rev., 41, 6582, https://doi.org/10.1039/c2cs35122f, 2012.
Short summary
This is the first mechanistic modeling study of secondary organic aerosol (SOA) from the understudied monoterpene, camphene. The semi-explicit chemical model GECKO-A predicted camphene SOA yields that were ~2 times α-pinene. Using 50/50 α-pinene + limonene as a surrogate for camphene increased predicted SOA mass from biomass burning fuels by up to ~100 %. The accurate representation of camphene in air quality models can improve predictions of SOA when camphene is a dominant monoterpene.
This is the first mechanistic modeling study of secondary organic aerosol (SOA) from the...
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