Articles | Volume 19, issue 8
Atmos. Chem. Phys., 19, 5719–5735, 2019
https://doi.org/10.5194/acp-19-5719-2019
© Author(s) 2019. This work is distributed under
the Creative Commons Attribution 4.0 License.
the Creative Commons Attribution 4.0 License.
Atmos. Chem. Phys., 19, 5719–5735, 2019
https://doi.org/10.5194/acp-19-5719-2019
© Author(s) 2019. This work is distributed under
the Creative Commons Attribution 4.0 License.
the Creative Commons Attribution 4.0 License.
Research article
30 Apr 2019
Research article
| 30 Apr 2019
Simulation of SOA formation from the photooxidation of monoalkylbenzenes in the presence of aqueous aerosols containing electrolytes under various NOx levels
Chufan Zhou et al.
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Azad Madhu, Myoseon Jang, and David Deacon
Atmos. Chem. Phys., 23, 1661–1675, https://doi.org/10.5194/acp-23-1661-2023, https://doi.org/10.5194/acp-23-1661-2023, 2023
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SOA formation is simulated using the UNIPAR model for series of linear alkanes. The inclusion of autoxidation reactions within the explicit gas mechanisms of C9–C12 was found to significantly improve predictions. Available product distributions were extrapolated with an incremental volatility coefficient (IVC) to predict SOA formation of alkanes without explicit mechanisms. These product distributions were used to simulate SOA formation from C13 and C15 and had good agreement with chamber data.
Sanghee Han and Myoseon Jang
Atmos. Chem. Phys., 23, 1209–1226, https://doi.org/10.5194/acp-23-1209-2023, https://doi.org/10.5194/acp-23-1209-2023, 2023
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The diurnal pattern in biogenic secondary organic aerosol (SOA) formation is simulated by using the UNIPAR model, which predicts SOA growth via multiphase reactions of hydrocarbons under varying NOx levels, aerosol acidity, humidity, and temperature. The simulation suggests that nighttime SOA formation, even in urban environments, where anthropogenic emission is high, is dominated by products from ozonolysis and NO3-initiated oxidation of biogenic hydrocarbons.
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.
Sanghee Han and Myoseon Jang
Atmos. Chem. Phys., 22, 625–639, https://doi.org/10.5194/acp-22-625-2022, https://doi.org/10.5194/acp-22-625-2022, 2022
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The gasoline SOA formation potential was simulated by using the UNIPAR model coupled with CB6r3 mechanism under varying NOx levels, aerosol acidity, humidity, temperature, and concentrations of aqueous salts and gasoline vapor. The model predicts SOA formation via multiphase reactions in the absence of wall bias. The simulation shows that both heterogeneous reactions in the aqueous phase and the implementation of model parameters corrected for GWP are critical to accurately predict SOA mass.
Sanghee Han, Myoseon Jang, and Huanhuan Jiang
Atmos. Chem. Phys. Discuss., https://doi.org/10.5194/acp-2019-550, https://doi.org/10.5194/acp-2019-550, 2019
Revised manuscript not accepted
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The gas-wall process (GWP) is the potential source of underestimation in the prediction of the formation of secondary organic aerosol (SOA). In this study, the GWP of semivolatile organic compounds varying in chemical functionalities and volatility was predicted by estimating their GW partitioning constant and accommodation coefficient using a quantitative structure–activity relationship method. The GWP model of this study will improve the model parameters used for SOA predictions.
Zechen Yu and Myoseon Jang
Atmos. Chem. Phys., 18, 14609–14622, https://doi.org/10.5194/acp-18-14609-2018, https://doi.org/10.5194/acp-18-14609-2018, 2018
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Large quantities of mineral dust particles are ejected into the ambient atmosphere during wind storms. These authentic dust particles can transport to polluted regions, such as industrial areas in cities, and undergo atmospheric chemical and physical processes. The Atmospheric Mineral Aerosol Reaction model developed through this work can help explain the impact of authentic mineral dust particles on local and regional air qualities.
Zechen Yu, Myoseon Jang, and Jiyeon Park
Atmos. Chem. Phys., 17, 10001–10017, https://doi.org/10.5194/acp-17-10001-2017, https://doi.org/10.5194/acp-17-10001-2017, 2017
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Mineral dust is an important sink for sulfur dioxide that can be oxidized and further influence the acidification of particles as well as cloud formation. In this study, a model was developed to capture the importance of mineral dust on sulfate formation in various environments. The results suggest that the oxidation of sulfur dioxide is greatly promoted in the presence of dust particles. Our model is helpful to enhance the accuracy of sulfate formation predicted.
Huanhuan Jiang, Myoseon Jang, and Zechen Yu
Atmos. Chem. Phys., 17, 9965–9977, https://doi.org/10.5194/acp-17-9965-2017, https://doi.org/10.5194/acp-17-9965-2017, 2017
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The oxidative potential of secondary organic aerosol (SOA) was measured by dithiothreitol assay. To quantify the reactive functional groups of particulate oxidizers that can increase dithiothreitol response, the quantities of quinones, organic hydroperoxides, and peroxy acyl nitrates were measured by chemical assays. Organic hydroperoxides were largely attributed to the oxidative potential of SOA. The results provide a deep understanding of the mechanistic role of SOA in modifying biomolecules.
Ross L. Beardsley and Myoseon Jang
Atmos. Chem. Phys., 16, 5993–6009, https://doi.org/10.5194/acp-16-5993-2016, https://doi.org/10.5194/acp-16-5993-2016, 2016
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The secondary organic aerosol (SOA) produced by the photooxidation of isoprene with and without inorganic seed is simulated using the Unified Partitioning Aerosol Phase Reaction (UNIPAR) model, assuming a single homogenously mixed organic–inorganic phase. UNIPAR is used to determine the sensitivity of isoprene SOA formation to NOx, aerosol acidity and aerosol liquid water content. Isoprene SOA is found to be most sensitive to aerosol acidity but dynamically related to all three parameters.
Y. Im, M. Jang, and R. L. Beardsley
Atmos. Chem. Phys., 14, 4013–4027, https://doi.org/10.5194/acp-14-4013-2014, https://doi.org/10.5194/acp-14-4013-2014, 2014
M. Zhong and M. Jang
Atmos. Chem. Phys., 14, 1517–1525, https://doi.org/10.5194/acp-14-1517-2014, https://doi.org/10.5194/acp-14-1517-2014, 2014
J. Li and M. Jang
Atmos. Chem. Phys. Discuss., https://doi.org/10.5194/acpd-13-23217-2013, https://doi.org/10.5194/acpd-13-23217-2013, 2013
Revised manuscript not accepted
Related subject area
Subject: Aerosols | Research Activity: Atmospheric Modelling | Altitude Range: Troposphere | Science Focus: Chemistry (chemical composition and reactions)
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
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
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
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
Seasonal modeling analysis of nitrate formation pathways in Yangtze River Delta region, China
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
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
Exploring dimethyl sulfide (DMS) oxidation and implications for global aerosol radiative forcing
Modelling changes in secondary inorganic aerosol formation and nitrogen deposition in Europe from 2005 to 2030
Extension of the AIOMFAC model by iodine and carbonate species: applications for aerosol acidity and cloud droplet activation
A numerical framework for simulating the atmospheric variability of supermicron marine biogenic ice nucleating particles
Prediction of secondary organic aerosol from the multiphase reaction of gasoline vapor by using volatility–reactivity base lumping
Modelling the gas–particle partitioning and water uptake of isoprene-derived secondary organic aerosol at high and low relative humidity
Modeling secondary organic aerosol formation from volatile chemical products
Why is the city's responsibility for its air pollution often underestimated? A focus on PM2.5
Quantifying the structural uncertainty of the aerosol mixing state representation in a modal model
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.
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.
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.
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.
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.
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.
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.
Ka Ming Fung, Colette L. Heald, Jesse H. Kroll, Siyuan Wang, Duseong S. Jo, Andrew Gettelman, Zheng Lu, Xiaohong Liu, Rahul A. Zaveri, Eric C. Apel, Donald R. Blake, Jose-Luis Jimenez, Pedro Campuzano-Jost, Patrick R. Veres, Timothy S. Bates, John E. Shilling, and Maria Zawadowicz
Atmos. Chem. Phys., 22, 1549–1573, https://doi.org/10.5194/acp-22-1549-2022, https://doi.org/10.5194/acp-22-1549-2022, 2022
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Understanding the natural aerosol burden in the preindustrial era is crucial for us to assess how atmospheric aerosols affect the Earth's radiative budgets. Our study explores how a detailed description of dimethyl sulfide (DMS) oxidation (implemented in the Community Atmospheric Model version 6 with chemistry, CAM6-chem) could help us better estimate the present-day and preindustrial concentrations of sulfate and other relevant chemicals, as well as the resulting aerosol radiative impacts.
Jan Eiof Jonson, Hilde Fagerli, Thomas Scheuschner, and Svetlana Tsyro
Atmos. Chem. Phys., 22, 1311–1331, https://doi.org/10.5194/acp-22-1311-2022, https://doi.org/10.5194/acp-22-1311-2022, 2022
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Ammonia emissions are expected to decrease less than SOx and NOx emissions between 2005 and 2030. As the formation of PM2.5 particles from ammonia depends on the ratio between ammonia on one hand and sulfate (from SOx) and HNO3 (from NOx) on the other hand, the efficiency of particle formation from ammonia is decreasing. Depositions of reduced nitrogen are decreasing much less than oxidized nitrogen. The critical loads for nitrogen deposition will also be exceeded in much of Europe in 2030.
Hang Yin, Jing Dou, Liviana Klein, Ulrich K. Krieger, Alison Bain, Brandon J. Wallace, Thomas C. Preston, and Andreas Zuend
Atmos. Chem. Phys., 22, 973–1013, https://doi.org/10.5194/acp-22-973-2022, https://doi.org/10.5194/acp-22-973-2022, 2022
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Iodine and carbonate species are important components in marine and dust aerosols, respectively. We introduce an extended version of the AIOMFAC thermodynamic mixing model, which includes the ions I−, IO3−, HCO3−, CO32−, OH−, and CO2(aq) as new species, and we discuss two methods for solving the carbonate dissociation equilibria numerically. We also present new experimental water activity data for aqueous iodide and iodate systems.
Isabelle Steinke, Paul J. DeMott, Grant B. Deane, Thomas C. J. Hill, Mathew Maltrud, Aishwarya Raman, and Susannah M. Burrows
Atmos. Chem. Phys., 22, 847–859, https://doi.org/10.5194/acp-22-847-2022, https://doi.org/10.5194/acp-22-847-2022, 2022
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Over the oceans, sea spray aerosol is an important source of particles that may initiate the formation of cloud ice, which then has implications for the radiative properties of marine clouds. In our study, we focus on marine biogenic particles that are emitted episodically and develop a numerical framework to describe these emissions. We find that further cloud-resolving model studies and targeted observations are needed to fully understand the climate impacts from marine biogenic particles.
Sanghee Han and Myoseon Jang
Atmos. Chem. Phys., 22, 625–639, https://doi.org/10.5194/acp-22-625-2022, https://doi.org/10.5194/acp-22-625-2022, 2022
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The gasoline SOA formation potential was simulated by using the UNIPAR model coupled with CB6r3 mechanism under varying NOx levels, aerosol acidity, humidity, temperature, and concentrations of aqueous salts and gasoline vapor. The model predicts SOA formation via multiphase reactions in the absence of wall bias. The simulation shows that both heterogeneous reactions in the aqueous phase and the implementation of model parameters corrected for GWP are critical to accurately predict SOA mass.
Dalrin Ampritta Amaladhasan, Claudia Heyn, Christopher R. Hoyle, Imad El Haddad, Miriam Elser, Simone M. Pieber, Jay G. Slowik, Antonio Amorim, Jonathan Duplissy, Sebastian Ehrhart, Vladimir Makhmutov, Ugo Molteni, Matti Rissanen, Yuri Stozhkov, Robert Wagner, Armin Hansel, Jasper Kirkby, Neil M. Donahue, Rainer Volkamer, Urs Baltensperger, Martin Gysel-Beer, and Andreas Zuend
Atmos. Chem. Phys., 22, 215–244, https://doi.org/10.5194/acp-22-215-2022, https://doi.org/10.5194/acp-22-215-2022, 2022
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We use a combination of models for gas-phase chemical reactions and equilibrium gas–particle partitioning of isoprene-derived secondary organic aerosols (SOAs) informed by dark ozonolysis experiments conducted in the CLOUD chamber. Our predictions cover high to low relative humidities (RHs) and quantify how SOA mass yields are enhanced at high RH as well as the impact of inorganic seeds of distinct hygroscopicities and acidities on the coupled partitioning of water and semi-volatile organics.
Elyse A. Pennington, Karl M. Seltzer, Benjamin N. Murphy, Momei Qin, John H. Seinfeld, and Havala O. T. Pye
Atmos. Chem. Phys., 21, 18247–18261, https://doi.org/10.5194/acp-21-18247-2021, https://doi.org/10.5194/acp-21-18247-2021, 2021
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Volatile chemical products (VCPs) are commonly used consumer and industrial items that contribute to the formation of atmospheric aerosol. We implemented the emissions and chemistry of VCPs in a regional-scale model and compared predictions with measurements made in Los Angeles. Our results reduced model bias and suggest that VCPs may contribute up to half of anthropogenic secondary organic aerosol in Los Angeles and are an important source of human-influenced particular matter in urban areas.
Philippe Thunis, Alain Clappier, Alexander de Meij, Enrico Pisoni, Bertrand Bessagnet, and Leonor Tarrason
Atmos. Chem. Phys., 21, 18195–18212, https://doi.org/10.5194/acp-21-18195-2021, https://doi.org/10.5194/acp-21-18195-2021, 2021
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Air pollution's origin in cities is still a point of discussion, and approaches to assess the city's responsibility for its pollution are not harmonized and thus not comparable, resulting in sometimes contradicting interpretations. We show that methodological choices can easily lead to differences of a factor of 2 in terms of responsibility outcome and stress that methodological choices and assumptions most often lead to a systematic and important underestimation of the city's responsibility.
Zhonghua Zheng, Matthew West, Lei Zhao, Po-Lun Ma, Xiaohong Liu, and Nicole Riemer
Atmos. Chem. Phys., 21, 17727–17741, https://doi.org/10.5194/acp-21-17727-2021, https://doi.org/10.5194/acp-21-17727-2021, 2021
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Aerosol mixing state is an important emergent property that affects aerosol radiative forcing and aerosol–cloud interactions, but it has not been easy to constrain this property globally. We present a framework for evaluating the error in aerosol mixing state induced by aerosol representation assumptions, which is one of the important contributors to structural uncertainty in aerosol models. Our study provides insights into potential improvements to model process representation for aerosols.
Cited articles
Abramson, E., Imre, D., Beranek, J., Wilson, J., and Zelenyuk, A.: Experimental
determination of chemical diffusion within secondary organic aerosol particles,
Phys. Chem. Chem. Phys., 15, 2983–2991, https://doi.org/10.1039/c2cp44013j, 2013.
Ait-Helal, W., Borbon, A., Sauvage, S., de Gouw, J. A., Colomb, A., Gros, V.,
Freutel, F., Crippa, M., Afif, C., Baltensperger, U., Beekmann, M., Doussin,
J. F., Durand-Jolibois, R., Fronval, I., Grand, N., Leonardis, T., Lopez, M.,
Michoud, V., Miet, K., Perrier, S., Prevot, A. S. H., Schneider, J., Siour, G.,
Zapf, P., and Locoge, N.: Volatile and intermediate volatility organic compounds
in suburban Paris: variability, origin and importance for SOA formation, Atmos.
Chem. Phys., 14, 10439–10464, https://doi.org/10.5194/acp-14-10439-2014, 2014.
Appel, K. W., Napelenok, S. L., Foley, K. M., Pye, H. O. T., Hogrefe, C.,
Luecken, D. J., Bash, J. O., Roselle, S. J., Pleim, J. E., Foroutan, H.,
Hutzell, W. T., Pouliot, G. A., Sarwar, G., Fahey, K. M., Gantt, B., Gilliam,
R. C., Heath, N. K., Kang, D. W., Mathur, R., Schwede, D. B., Spero, T. L.,
Wong, D. C., and Young, J. O.: Description and evaluation of the Community
Multiscale Air Quality (CMAQ) modeling system version 5.1, Geosci. Model Dev.,
10, 1703–1732, https://doi.org/10.5194/gmd-10-1703-2017, 2017.
Beardsley, R. L. and Jang, M.: Simulating the SOA formation of isoprene from
partitioning and aerosol phase reactions in the presence of inorganics, Atmos.
Chem. Phys., 16, 5993–6009, https://doi.org/10.5194/acp-16-5993-2016, 2016.
Bertram, A. K., Martin, S. T., Hanna, S. J., Smith, M. L., Bodsworth, A., Chen,
Q., Kuwata, M., Liu, A., You, Y., and Zorn, S. R.: Predicting the relative
humidities of liquid-liquid phase separation, efflorescence, and deliquescence
of mixed particles of ammonium sulfate, organic material, and water using the
organic-to-sulfate mass ratio of the particle and the oxygen-to-carbon elemental
ratio of the organic component, Atmos. Chem. Phys., 11, 10995–11006,
https://doi.org/10.5194/acp-11-10995-2011, 2011.
Bloss, C., Wagner, V., Jenkin, M. E., Volkamer, R., Bloss, W. J., Lee, J. D.,
Heard, D. E., Wirtz, K., Martin-Reviejo, M., Rea, G., Wenger, J. C., and
Pilling, M. J.: Development of a detailed chemical mechanism (MCMv3.1) for
the atmospheric oxidation of aromatic hydrocarbons, Atmos. Chem. Phys., 5,
641–664, https://doi.org/10.5194/acp-5-641-2005, 2005.
Budisulistiorini, S. H., Nenes, A., Carlton, A. G., Surratt, J. D., McNeill, V.
F., and Pye, H. O. T.: Simulating Aqueous-Phase Isoprene-Epoxydiol (IEPOX)
Secondary Organic Aerosol Production During the 2013 Southern Oxidant and
Aerosol Study (SOAS), Environ. Sci. Technol., 51, 5026–5034, https://doi.org/10.1021/acs.est.6b05750, 2017.
Cao, G. and Jang, M.: An SOA Model for Toluene Oxidation in the Presence of
Inorganic Aerosols, Environ. Sci. Technol., 44, 727–733, https://doi.org/10.1021/es901682r, 2010.
Cappa, C. D. and Wilson, K. R.: Multi-generation gas-phase oxidation, equilibrium
partitioning, and the formation and evolution of secondary organic aerosol,
Atmos. Chem. Phys., 12, 9505–9528, https://doi.org/10.5194/acp-12-9505-2012, 2012.
Chen, J., Zhao, C. S., Ma, N., Liu, P. F., Gobel, T., Hallbauer, E., Deng, Z.
Z., Ran, L., Xu, W. Y., Liang, Z., Liu, H. J., Yan, P., Zhou, X. J., and
Wiedensohler, A.: A parameterization of low visibilities for hazy days in the
North China Plain, Atmos. Chem. Phys., 12, 4935–4950, https://doi.org/10.5194/acp-12-4935-2012, 2012.
Chen, L. H., Bao, K. J., Li, K. W., Lv, B., Bao, Z. E., Lin, C., Wu, X. C.,
Zheng, C. H., Gao, X., and Cen, K. F.: Ozone and Secondary Organic Aerosol
Formation of Toluene/NOx Irradiations under Complex Pollution
Scenarios, Aerosol Air Qual. Res., 17, 1760–1771, https://doi.org/10.4209/aaqr.2017.05.0179, 2017.
Chen, X., Xie, M. J., Hays, M. D., Edgerton, E., Schwede, D., and Walker, J. T.:
Characterization of organic nitrogen in aerosols at a forest site in the
southern Appalachian Mountains, Atmos. Chem. Phys., 18, 6829–6846,
https://doi.org/10.5194/acp-18-6829-2018, 2018.
Cheng, K., Hao, W.-W., Yi, P., Zhang, Y., and Zhang, J.-Y.: Volatile Organic
Compounds Emission from Chinese Wood Furniture Coating Industry: Activity-based
Emission Factor, Speciation Profiles, and Provincial Emission Inventory, Aerosol
Air Qual. Res., 18, 2813–2825, https://doi.org/10.4209/aaqr.2018.02.0044, 2018.
Clegg, S. L., Brimblecombe, P., and Wexler, A. S.: Thermodynamic model of the
system H+-
Colberg, C. A., Luo, B. P., Wernli, H., Koop, T., and Peter, T.: A novel model
to predict the physical state of atmospheric
Donahue, N. M., Robinson, A. L., Stanier, C. O., and Pandis, S. N.: Coupled
partitioning, dilution, and chemical aging of semivolatile organics, Environ.
Sci. Technol., 40, 2635–2643, https://doi.org/10.1021/es052297c, 2006.
Donahue, N. M., Epstein, S. A., Pandis, S. N., and Robinson, A. L.: A
two-dimensional volatility basis set: 1. organic-aerosol mixing thermodynamics,
Atmos. Chem. Physics, 11, 3303–3318, https://doi.org/10.5194/acp-11-3303-2011, 2011.
Ervens, B., Turpin, B. J., and Weber, R. J.: Secondary organic aerosol formation
in cloud droplets and aqueous particles (aqSOA): a review of laboratory, field
and model studies, Atmos. Chem. Phys., 11, 11069–11102, https://doi.org/10.5194/acp-11-11069-2011, 2011.
Estillore, A. D., Hettiyadura, A. P., Qin, Z., Leckrone, E., Wombacher, B.,
Humphry, T., Stone, E. A., and Grassian, V. H.: Water Uptake and Hygroscopic
Growth of Organosulfate Aerosol, Environ. Sci. Technol., 50, 4259–4268,
https://doi.org/10.1021/acs.est.5b05014, 2016.
Forstner, H. J. L., Flagan, R. C., and Seinfeld, J. H.: Secondary organic
aerosol from the photooxidation of aromatic hydrocarbons: Molecular composition,
Environ. Sci. Technol., 31, 1345–1358, https://doi.org/10.1021/Es9605376, 1997.
George, C., Ammann, M., D'Anna, B., Donaldson, D. J., and Nizkorodov, S. A.:
Heterogeneous Photochemistry in the Atmosphere, Chem. Rev., 115, 4218–4258,
https://doi.org/10.1021/cr500648z, 2015.
George, I. J. and Abbatt, J. P. D.: Heterogeneous oxidation of atmospheric
aerosol particles by gas-phase radicals, Nat. Chem., 2, 713–722, https://doi.org/10.1038/nchem.806, 2010.
Gomez Alvarez, E., Viidanoja, J., Munoz, A., Wirtz, K., and Hjorth, J.:
Experimental confirmation of the dicarbonyl route in the photo-oxidation of
toluene and benzene, Environ. Sci. Technol., 41, 8362–8369, https://doi.org/10.1021/es0713274, 2007.
Gordon, H., Sengupta, K., Rap, A., Duplissy, J., Frege, C., Williamson, C.,
Heinritzi, M., Simon, M., Yan, C., Almeida, J., Trostl, J., Nieminen, T.,
Ortega, I. K., Wagner, R., Dunne, E. M., Adamov, A., Amorim, A., Bernhammer,
A. K., Bianchi, F., Breitenlechner, M., Brilke, S., Chen, X. M., Craven, J. S.,
Dias, A., Ehrhart, S., Fischer, L., Flagan, R. C., Franchin, A., Fuchs, C.,
Guida, R., Hakala, J., Hoyle, C. R., Jokinen, T., Junninen, H., Kangasluoma,
J., Kim, J., Kirkby, J., Krapf, M., Kurten, A., Laaksonen, A., Lehtipalo, K.,
Makhmutov, V., Mathot, S., Molteni, U., Monks, S. A., Onnela, A., Perakyla, O.,
Piel, F., Petaja, T., Praplanh, A. P., Pringle, K. J., Richards, N. A. D.,
Rissanen, M. P., Rondo, L., Sarnela, N., Schobesberger, S., Scott, C. E.,
Seinfeldo, J. H., Sharma, S., Sipila, M., Steiner, G., Stozhkov, Y., Stratmann,
F., Tome, A., Virtanen, A., Vogel, A. L., Wagner, A. C., Wagner, P. E.,
Weingartner, E., Wimmer, D., Winkler, P. M., Ye, P. L., Zhang, X., Hansel, A.,
Dommen, J., Donahue, N. M., Worsnop, D. R., Baltensperger, U., Kulmala, M.,
Curtius, J., and Carslaw, K. S.: Reduced anthropogenic aerosol radiative forcing
caused by biogenic new particle formation, P. Natl. Acad. Sci. USA, 113,
12053–12058, https://doi.org/10.1073/pnas.1602360113, 2016.
Hartikainen, A., Yli-Pirila, P., Tiitta, P., Leskinen, A., Kortelainen, M.,
Orasche, J., Schnelle-Kreis, J., Lehtinen, K. E. J., Zimmermann, R., Jokiniemi,
J., and Sippula, O.: Volatile Organic Compounds from Logwood Combustion:
Emissions and Transformation under Dark and Photochemical Aging Conditions in
a Smog Chamber, Environ. Sci. Technol., 52, 4979–4988, https://doi.org/10.1021/acs.est.7b06269, 2018.
Henry, K. M. and Donahue, N. M.: Photochemical Aging of alpha-Pinene Secondary
Organic Aerosol: Effects of OH Radical Sources and Photolysis, J. Phys. Chem. A,
116, 5932–5940, https://doi.org/10.1021/jp210288s, 2012.
Hettiyadura, A. P. S., Stone, E. A., Kundu, S., Baker, Z., Geddes, E., Richards,
K., and Humphry, T.: Determination of atmospheric organosulfates using HILIC
chromatography with MS detection, Atmos. Meas. Tech., 8, 2347–2358,
https://doi.org/10.5194/amt-8-2347-2015, 2015.
Hodzic, A., Kasibhatla, P. S., Jo, D. S., Cappa, C. D., Jimenez, J. L.,
Madronich, S., and Park, R. J.: Rethinking the global secondary organic aerosol (SOA)
budget: stronger production, faster removal, shorter lifetime, Atmos. Chem.
Phys., 16, 7917–7941, https://doi.org/10.5194/acp-16-7917-2016, 2016.
Huang, J. P., Mcqueen, J., Wilczak, J., Djalalova, I., Stajner, I., Shafran, P.,
Allured, D., Lee, P., Pan, L., Tong, D., Huang, H. C., Dimego, G., Upadhayay,
S., and Monache, L. D.: Improving NOAA NAQFC PM2.5 Predictions with a Bias
Correction Approach, Weather Forecast., 32, 407–421, https://doi.org/10.1175/Waf-D-16-0118.1, 2017.
Huang, M. Q., Zhang, J. H., Cai, S. Y., Liao, Y. M., Zhao, W. X., Hu, C. J.,
Gu, X. J., Fang, L., and Zhang, W. J.: Characterization of particulate products
for aging of ethylbenzene secondary organic aerosol in the presence of ammonium
sulfate seed aerosol, J. Environ. Sci.-China, 47, 219–229, https://doi.org/10.1016/j.jes.2015.11.033, 2016.
Im, Y., Jang, M., and Beardsley, R. L.: Simulation of aromatic SOA formation
using the lumping model integrated with explicit gas-phase kinetic mechanisms
and aerosol-phase reactions, Atmos. Chem. Phys., 14, 4013–4027, https://doi.org/10.5194/acp-14-4013-2014, 2014.
IPCC: Climate change 2014: mitigation of climate change, Cambridge University
Press, Cambridge, 2015.
Jang, M. and Kamens, R. M.: A thermodynamic approach for modeling partitioning
of semivolatile organic compounds on atmospheric particulate matter: Humidity e
ffects, Environ. Sci. Technol., 32, 1237–1243, https://doi.org/10.1021/Es970773w, 1998.
Jang, M. and Kamens, R. M.: Characterization of secondary aerosol from the
photooxidation of toluene in the presence of NOx and 1-propene,
Environ. Sci. Technol., 35, 3626–3639, https://doi.org/10.1021/es010676+, 2001.
Jang, M., Czoschke, N. M., Lee, S., and Kamens, R. M.: Heterogeneous atmospheric
aerosol production by acid-catalyzed particle-phase reactions, Science, 298,
814–817, https://doi.org/10.1126/science.1075798, 2002.
Jang, M., Czoschke, N. M., and Northcross, A. L.: Semiempirical model for
organic aerosol growth by acid-catalyzed heterogeneous reactions of organic
carbonyls, Environ. Sci. Technol., 39, 164–174, https://doi.org/10.1021/es048977h, 2005.
Jathar, S. H., Cappa, C. D., Wexler, A. S., Seinfeld, J. H., and Kleeman, M. J.:
Simulating secondary organic aerosol in a regional air quality model using the
statistical oxidation model – Part 1: Assessing the influence of constrained
multi-generational ageing, Atmos. Chem. Phys., 16, 2309–2322, https://doi.org/10.5194/acp-16-2309-2016, 2016.
Jeffries, H., Gary, M., Kessler, M., and Sexton, K.: Morphecule reaction
mechanism, MORPHO, ALLOMORPHIC simulation software, 1998.
Jenkin, M. E., Wyche, K. P., Evans, C. J., Carr, T., Monks, P. S., Alfarra, M.
R., Barley, M. H., McFiggans, G. B., Young, J. C., and Rickard, A. R.:
Development and chamber evaluation of the MCM v3.2 degradation scheme for
beta-caryophyllene, Atmos. Chem. Phys., 12, 5275–5308, https://doi.org/10.5194/acp-12-5275-2012, 2012.
Jiang, H., Jang, M., and Yu, Z. C.: Dithiothreitol activity by particulate
oxidizers of SOA produced from photooxidation of hydrocarbons under varied
NOx levels, Atmos. Chem. Phys., 17, 9965–9977, https://doi.org/10.5194/acp-17-9965-2017, 2017.
Jimenez, J. L., Canagaratna, M. R., Donahue, N. M., Prevot, A. S. H., Zhang, Q.,
Kroll, J. H., DeCarlo, P. F., Allan, J. D., Coe, H., Ng, N. L., Aiken, A. C.,
Docherty, K. S., Ulbrich, I. M., Grieshop, A. P., Robinson, A. L., Duplissy, J.,
Smith, J. D., Wilson, K. R., Lanz, V. A., Hueglin, C., Sun, Y. L., Tian, J.,
Laaksonen, A., Raatikainen, T., Rautiainen, J., Vaattovaara, P., Ehn, M.,
Kulmala, M., Tomlinson, J. M., Collins, D. R., Cubison, M. J., Dunlea, E. J.,
Huffman, J. A., Onasch, T. B., Alfarra, M. R., Williams, P. I., Bower, K.,
Kondo, Y., Schneider, J., Drewnick, F., Borrmann, S., Weimer, S., Demerjian, K.,
Salcedo, D., Cottrell, L., Griffin, R., Takami, A., Miyoshi, T., Hatakeyama, S.,
Shimono, A., Sun, J. Y., Zhang, Y. M., Dzepina, K., Kimmel, J. R., Sueper, D.,
Jayne, J. T., Herndon, S. C., Trimborn, A. M., Williams, L. R., Wood, E. C.,
Middlebrook, A. M., Kolb, C. E., Baltensperger, U., and Worsnop, D. R.: Evolution
of Organic Aerosols in the Atmosphere, Science, 326, 1525–1529, https://doi.org/10.1126/science.1180353, 2009.
Johnson, D., Jenkin, M. E., Wirtz, K., and Martin-Reviejo, M.: Simulating the
Formation of Secondary Organic Aerosol from the Photooxidation of Toluene,
Environ. Chem., 1, 150–165, https://doi.org/10.1071/EN04069, 2004.
Johnson, D., Jenkin, M. E., Wirtz, K., and Martin-Reviejo, M.: Simulating the
formation of secondary organic aerosol from the photooxidation of aromatic
hydrocarbons, Environ. Chem., 2, 35–48, https://doi.org/10.1071/EN04079, 2005.
Kamens, R. M., Zhang, H. F., Chen, E. H., Zhou, Y., Parikh, H. M., Wilson, R.
L., Galloway, K. E., and Rosen, E. P.: Secondary organic aerosol formation from
toluene in an atmospheric hydrocarbon mixture: Water and particle seed effects,
Atmos. Environ., 45, 2324–2334, https://doi.org/10.1016/j.atmosenv.2010.11.007, 2011.
Kelly, J. M., Doherty, R. M., O'Connor, F. M., and Mann, G. W.: The impact of
biogenic, anthropogenic, and biomass burning volatile organic compound emissions
on regional and seasonal variations in secondary organic aerosol, Atmos. Chem.
Phys., 18, 7393–7422, https://doi.org/10.5194/acp-18-7393-2018, 2018.
Kleindienst, T. E., Edney, E. O., Lewandowski, M., Offenberg, J. H., and Jaoui,
M.: Secondary organic carbon and aerosol yields from the irradiations of
isoprene and alpha-pinene in the presence of NOx and SO2,
Environ. Sci. Technol., 40, 3807–3812, https://doi.org/10.1021/es052446r, 2006.
Kleindienst, T. E., Jaoui, M., Lewandowski, M., Offenberg, J. H., Lewis, C. W.,
Bhave, P. V., and Edney, E. O.: Estimates of the contributions of biogenic and
anthropogenic hydrocarbons to secondary organic aerosol at a southeastern US
location, Atmos. Environ., 41, 8288–8300, https://doi.org/10.1016/j.atmosenv.2007.06.045, 2007.
Kolska, Z., Ruzicka, V., and Gani, R.: Estimation of the enthalpy of vaporization
and the entropy of vaporization for pure organic compounds at 298.15 K and at
normal boiling temperature by a group contribution method, Indust. Eng. Chem.
Res., 44, 8436–8454, https://doi.org/10.1021/ie050113x, 2005.
Lambe, A. T., Onasch, T. B., Croasdale, D. R., Wright, J. P., Martin, A. T.,
Franklin, J. P., Massoli, P., Kroll, J. H., Canagaratna, M. R., Brune, W. H.,
Worsnop, D. R., and Davidovits, P.: Transitions from Functionalization to
Fragmentation Reactions of Laboratory Secondary Organic Aerosol (SOA) Generated
from the OH Oxidation of Alkane Precursors, Environ. Sci. Technol., 46,
5430–5437, https://doi.org/10.1021/es300274t, 2012.
Li, J., Jang, M., and Beardsley, R. L.: Dialkylsulfate formation in sulfuric
acid-seeded secondary organic aerosol produced using an outdoor chamber under
natural sunlight, Environ. Chem., 13, 590–601, 2016.
Li, J. Y. and Jang, M.: Aerosol Acidity Measurement Using Colorimetry Coupled
With a Reflectance UV-Visible Spectrometer, Aerosol Sci. Tech., 46, 833–842,
https://doi.org/10.1080/02786826.2012.669873, 2012.
Li, L., Tang, P., and Cocker, D. R.: Instantaneous nitric oxide effect on
secondary organic aerosol formation from m-xylene photooxidation, Atmos.
Environ., 119, 144–155, 2015.
Li, L. J., Tang, P., Nakao, S., and Cocker, D. R.: Impact of molecular structure
on secondary organic aerosol formation from aromatic hydrocarbon photooxidation
under low-NOx conditions, Atmos. Chem. Phys., 16, 10793–10808,
https://doi.org/10.5194/acp-16-10793-2016, 2016.
Li, M., Zhang, Q., Kurokawa, J., Woo, J. H., He, K. B., Lu, Z. F., Ohara, T.,
Song, Y., Streets, D. G., Carmichael, G. R., Cheng, Y. F., Hong, C. P., Huo, H.,
Jiang, X. J., Kang, S. C., Liu, F., Su, H., and Zheng, B.: MIX: a mosaic Asian
anthropogenic emission inventory under the international collaboration framework
of the MICS-Asia and HTAP, Atmos. Chem. Phys., 17, 935–963, https://doi.org/10.5194/acp-17-935-2017, 2017.
Lin, Y. H., Knipping, E. M., Edgerton, E. S., Shaw, S. L., and Surratt, J. D.:
Investigating the influences of SO2 and NH3 levels on
isoprene-derived secondary organic aerosol formation using conditional sampling
approaches, Atmos. Chem. Phys., 13, 8457–8470, https://doi.org/10.5194/acp-13-8457-2013, 2013.
Liu, T. Y., Huang, D. D., Li, Z. J., Liu, Q. Y., Chan, M. N., and Chan, C. K.:
Comparison of secondary organic aerosol formation from toluene on initially wet
and dry ammonium sulfate particles at moderate relative humidity, Atmos. Chem.
Phys., 18, 5677–5689, https://doi.org/10.5194/acp-18-5677-2018, 2018.
McDonald, B. C., de Gouw, J. A., Gilman, J. B., Jathar, S. H., Akherati, A.,
Cappa, C. D., Jimenez, J. L., Lee-Taylor, J., Hayes, P. L., McKeen, S. A., Cui,
Y. Y., Kim, S. W., Gentner, D. R., Isaacman-VanWertz, G., Goldstein, A. H.,
Harley, R. A., Frost, G. J., Roberts, J. M., Ryerson, T. B., and Trainer, M.:
Volatile chemical products emerging as largest petrochemical source of urban
organic emissions, Science, 359, 760–764, https://doi.org/10.1126/science.aaq0524, 2018.
McNeill, V. F., Woo, J. L., Kim, D. D., Schwier, A. N., Wannell, N. J., Sumner,
A. J., and Barakat, J. M.: Aqueous-Phase Secondary Organic Aerosol and
Organosulfate Formation in Atmospheric Aerosols: A Modeling Study, Environ. Sci.
Technol., 46, 8075–8081, https://doi.org/10.1021/es3002986, 2012.
Mcvay, R. C., Cappa, C. D., and Seinfeld, J. H.: Vapor-Wall Deposition in
Chambers: Theoretical Considerations, Environ. Sci. Technol., 48, 10251–10258,
https://doi.org/10.1021/es502170j, 2014.
Molteni, U., Bianchi, F., Klein, F., El Haddad, I., Frege, C., Rossi, M. J.,
Dommen, J., and Baltensperger, U.: Formation of highly oxygenated organic
molecules from aromatic compounds, Atmos. Chem. Phys., 18, 1909–1921,
https://doi.org/10.5194/acp-18-1909-2018, 2018.
Nakao, S., Clark, C., Tang, P., Sato, K., and Cocker, D.: Secondary organic
aerosol formation from phenolic compounds in the absence of NOx,
Atmos. Chem. Phys., 11, 10649–10660, https://doi.org/10.5194/acp-11-10649-2011, 2011.
Ng, N. L., Kroll, J. H., Chan, A. W. H., Chhabra, P. S., Flagan, R. C., and
Seinfeld, J. H.: Secondary organic aerosol formation from m-xylene, toluene,
and benzene, Atmos. Chem. Phys., 7, 3909–3922, https://doi.org/10.5194/acp-7-3909-2007, 2007.
Noziere, B., Ekstrom, S., Alsberg, T., and Holmstrom, S.: Radical-initiated
formation of organosulfates and surfactants in atmospheric aerosols, Geophys.
Res. Lett., 37, L05806, https://doi.org/10.1029/2009gl041683, 2010.
Odian, G.: Principles of polymerization, John Wiley & Sons, New York, 2004.
Odum, J. R., Hoffmann, T., Bowman, F., Collins, D., Flagan, R. C., and Seinfeld,
J. 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.
Press, W. H., Teukolsky, S. A., Vetterling, W. T., and Flannery, B. P.:
Numerical recipes in Fortran 77: the art of scientific computing, Cambridge
University Press, Cambridge, 1992.
Ren, J. Y., Zhang, F., Wang, Y. Y., Collins, D., Fan, X. X., Jin, X. A., Xu,
W. Q., Sun, Y. L., Cribb, M., and Li, Z. Q.: Using different assumptions of
aerosol mixing state and chemical composition to predict CCN concentrations
based on field measurements in urban Beijing, Atmos. Chem. Phys., 18, 6907–6921,
https://doi.org/10.5194/acp-18-6907-2018, 2018.
Requia, W. J., Higgins, C. D., Adams, M. D., Mohamed, M., and Koutrakis, P.:
The health impacts of weekday traffic: A health risk assessment of PM2.5
emissions during congested periods, Environ. Int., 111, 164–176, https://doi.org/10.1016/j.envint.2017.11.025, 2018.
Rudich, Y., Donahue, N. M., and Mentel, T. F.: Aging of organic aerosol:
Bridging the gap between laboratory and field studies, Annu. Rev. Phys. Chem.,
58, 321–352, 2007.
Sato, K., Hatakeyama, S., and Imamura, T.: Secondary organic aerosol formation
during the photooxidation of toluene: NOx dependence of
chemical composition, J. Phys. Chem. A, 111, 9796–9808, https://doi.org/10.1021/jp071419f, 2007.
Sato, K., Takami, A., Kato, Y., Seta, T., Fujitani, Y., Hikida, T., Shimono, A.,
and Imamura, T.: AMS and LC/MS analyses of SOA from the photooxidation of
benzene and 1,3,5-trimethylbenzene in the presence of NOx:
effects of chemical structure on SOA aging, Atmos. Chem. Phys., 12, 4667–4682,
https://doi.org/10.5194/acp-12-4667-2012, 2012.
Schell, B., Ackermann, I. J., Hass, H., Binkowski, F. S., and Ebel, A.: Modeling
the formation of secondary organic aerosol within a comprehensive air quality
model system, J. Geophys. Res.-Atmos., 106, 28275–28293, https://doi.org/10.1029/2001jd000384, 2001.
Seinfeld, J. H. and Pandis, S. N.: Atmospheric chemistry and physics: from air
pollution to climate change, John Wiley & Sons, New York, 2016.
Sheehan, P. E. and Bowman, F. M.: Estimated effects of temperature on secondary
organic aerosol concentrations, Environ. Sci. Technol., 35, 2129–2135,
https://doi.org/10.1021/Es001547g, 2001.
Shilling, J. E., King, S. M., Mochida, M., and Martin, S. T.: Mass spectral
evidence that small changes in composition caused by oxidative aging processes
alter aerosol CCN properties, J. Phys. Chem. A, 111, 3358–3368, https://doi.org/10.1021/jp068822r, 2007.
Song, C., Na, K. S., and Cocker, D. R.: Impact of the hydrocarbon to NOx
ratio on secondary organic aerosol formation, Environ. Sci. Technol., 39,
3143–3149, https://doi.org/10.1021/es0493244, 2005.
Surratt, J. D., Chan, A. W. H., Eddingsaas, N. C., Chan, M. N., Loza, C. L.,
Kwan, A. J., Hersey, S. P., Flagan, R. C., Wennberg, P. O., and Seinfeld, J. H.:
Reactive intermediates revealed in secondary organic aerosol formation from
isoprene, P. Natl. Acad. Sci. USA, 107, 6640–6645, https://doi.org/10.1073/pnas.0911114107, 2010.
Tsigaridis, K., Daskalakis, N., Kanakidou, M., Adams, P. J., Artaxo, P., Bahadur,
R., Balkanski, Y., Bauer, S. E., Bellouin, N., Benedetti, A., Bergman, T.,
Berntsen, T. K., Beukes, J. P., Bian, H., Carslaw, K. S., Chin, M., Curci, G.,
Diehl, T., Easter, R. C., Ghan, S. J., Gong, S. L., Hodzic, A., Hoyle, C. R.,
Iversen, T., Jathar, S., Jimenez, J. L., Kaiser, J. W., Kirkevag, A., Koch, D.,
Kokkola, H., Lee, Y. H., Lin, G., Liu, X., Luo, G., Ma, X., Mann, G. W.,
Mihalopoulos, N., Morcrette, J. J., Muller, J. F., Myhre, G., Myriokefalitakis,
S., Ng, N. L., O'Donnell, D., Penner, J. E., Pozzoli, L., Pringle, K. J.,
Russell, L. M., Schulz, M., Sciare, J., Seland, O., Shindell, D. T., Sillman,
S., Skeie, R. B., Spracklen, D., Stavrakou, T., Steenrod, S. D., Takemura, T.,
Tiitta, P., Tilmes, S., Tost, H., van Noije, T., van Zyl, P. G., von Salzen, K.,
Yu, F., Wang, Z., Wang, Z., Zaveri, R. A., Zhang, H., Zhang, K., Zhang, Q., and
Zhang, X.: The AeroCom evaluation and intercomparison of organic aerosol in
global models, Atmos. Chem. Phys., 14, 10845–10895, https://doi.org/10.5194/acp-14-10845-2014, 2014.
Wood, E. C., Canagaratna, M. R., Herndon, S. C., Onasch, T. B., Kolb, C. E.,
Worsnop, D. R., Kroll, J. H., Knighton, W. B., Seila, R., Zavala, M., Molina,
L. T., DeCarlo, P. F., Jimenez, J. L., Weinheimer, A. J., Knapp, D. J., Jobson,
B. T., Stutz, J., Kuster, W. C., and Williams, E. J.: Investigation of the
correlation between odd oxygen and secondary organic aerosol in Mexico City and
Houston, Atmos. Chem. Phys., 10, 8947–8968, https://doi.org/10.5194/acp-10-8947-2010, 2010.
Yu, Z. C., Jang, M., and Park, J.: Modeling atmospheric mineral aerosol
chemistry to predict heterogeneous photooxidation of SO2, Atmos. Chem.
Phys., 17, 10001–10017, https://doi.org/10.5194/acp-17-10001-2017, 2017.
Zhang, X., Cappa, C. D., Jathar, S. H., Mcvay, R. C., Ensberg, J. J., Kleeman,
M. J., and Seinfeld, J. H.: Influence of vapor wall loss in laboratory chambers
on yields of secondary organic aerosol, P. Natl. Acad. Sci. USA, 111, 5802–5807,
https://doi.org/10.1073/pnas.1404727111, 2014.
Zhang, Y., Seigneur, C., Seinfeld, J. H., Jacobson, M., Clegg, S. L., and
Binkowski, F. S.: A comparative review of inorganic aerosol thermodynamic
equilibrium modules: similarities, differences, and their likely causes, Atmos.
Environ., 34, 117–137, https://doi.org/10.1016/S1352-2310(99)00236-8, 2000.
Zhang, Y. L., Yang, W. Q., Simpson, I., Huang, X. Y., Yu, J. Z., Huang, Z. H.,
Wang, Z. Y., Zhang, Z., Liu, D., Huang, Z. Z., Wang, Y. J., Pei, C. L., Shao,
M., Blake, D. R., Zheng, J. Y., Huang, Z. J., and Wang, X. M.: Decadal changes
in emissions of volatile organic compounds (VOCs) from on-road vehicles with
intensified automobile pollution control: Case study in a busy urban tunnel in
south China, Environ. Pollut., 233, 806–819, https://doi.org/10.1016/j.envpol.2017.10.133, 2018.
Zhao, B., Wang, S. X., Donahue, N. M., Chuang, W. N., Hildebrandt Ruiz, L., Ng,
N. L., Wang, Y. J., and Hao, J. M.: Evaluation of One-Dimensional and
Two-Dimensional Volatility Basis Sets in Simulating the Aging of Secondary
Organic Aerosol with Smog-Chamber Experiments, Environ. Sci. Technol., 49,
2245–2254, https://doi.org/10.1021/es5048914, 2015.
Zhao, L. W., Li, P., and Yalkowsky, S. H.: Predicting the entropy of boiling
for organic compounds, J. Chem. Inf. Comp. Sci., 39, 1112–1116, https://doi.org/10.1021/Ci990054w, 1999.
Zuend, A., Marcolli, C., Booth, A. M., Lienhard, D. M., Soonsin, V., Krieger,
U. K., Topping, D. O., McFiggans, G., Peter, T., and Seinfeld, J. H.: New and
extended parameterization of the thermodynamic model AIOMFAC: calculation of
activity coefficients for organic-inorganic mixtures containing carboxyl,
hydroxyl, carbonyl, ether, ester, alkenyl, alkyl, and aromatic functional groups,
Atmos. Chem. Phys., 11, 9155–9206, https://doi.org/10.5194/acp-11-9155-2011, 2011.
Short summary
The formation of secondary organic aerosol (SOA) from the photooxidation of three monoalkylbenzenes (toluene, ethylbenzene, and n-propylbenzene) has been simulated using the SOA model under varying environments (temperature, humidity, sunlight, NOx levels, electrolytic inorganic seed – acidity and water content, and aging). The model demonstrates that the effect of an electrolytic aqueous phase on SOA formation is more critical than that of NOx levels under SO2-rich polluted urban environments.
The formation of secondary organic aerosol (SOA) from the photooxidation of three...
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