Articles | Volume 22, issue 1
https://doi.org/10.5194/acp-22-625-2022
© Author(s) 2022. This work is distributed under
the Creative Commons Attribution 4.0 License.
the Creative Commons Attribution 4.0 License.
https://doi.org/10.5194/acp-22-625-2022
© Author(s) 2022. This work is distributed under
the Creative Commons Attribution 4.0 License.
the Creative Commons Attribution 4.0 License.
Research article
| 
17 Jan 2022
Research article |
| 17 Jan 2022
| 17 Jan 2022
Prediction of secondary organic aerosol from the multiphase reaction of gasoline vapor by using volatility–reactivity base lumping
Sanghee Han
Department of Environmental Engineering Science, University of Florida, Gainesville, FL, USA
Department of Environmental Engineering Science, University of Florida, Gainesville, FL, USA
Related authors
Yujin Jo, Myoseon Jang, Sanghee Han, Azad Madhu, Bonyoung Koo, Yiqin Jia, Zechen Yu, Soontae Kim, and Jinsoo Park
Atmos. Chem. Phys., 24, 487–508, https://doi.org/10.5194/acp-24-487-2024, https://doi.org/10.5194/acp-24-487-2024, 2024
Short summary
Short summary
The CAMx–UNIPAR model simulated the SOA budget formed via multiphase reactions of hydrocarbons and the impact of emissions and climate on SOA characteristics under California’s urban environments during winter 2018. SOA growth was dominated by daytime oxidation of long-chain alkanes and nighttime terpene oxidation with O3 and NO−3 radicals. The spatial distributions of anthropogenic SOA were affected by the northwesterly wind, whereas those of biogenic SOA were insensitive to wind directions.
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
Short summary
Short summary
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
Short summary
Short summary
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, 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
Short summary
Short summary
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.
Jiwon Choi, Myoseon Jang, and Spencer Blau
Atmos. Chem. Phys., 24, 6567–6582, https://doi.org/10.5194/acp-24-6567-2024, https://doi.org/10.5194/acp-24-6567-2024, 2024
Short summary
Short summary
Persistent phenoxy radical (PPR), formed by phenol gas oxidation and its aqueous reaction, catalytically destroys O3 and retards secondary organic aerosol (SOA) growth. Explicit gas mechanisms including the formation of PPR and low-volatility products from the oxidation of phenol or benzene are applied to the UNIPAR model to predict SOA mass via multiphase reactions of precursors. Aqueous reactions of reactive organics increase SOA mass but retard SOA growth via heterogeneously formed PPR.
Azad Madhu, Myoseon Jang, and Yujin Jo
Atmos. Chem. Phys., 24, 5585–5602, https://doi.org/10.5194/acp-24-5585-2024, https://doi.org/10.5194/acp-24-5585-2024, 2024
Short summary
Short summary
Secondary organic aerosol (SOA) formation from branched alkanes (BAs) was simulated using the UNIPAR model, which predicted SOA growth via multiphase reactions of hydrocarbons, and compared with chamber data. Product distributions (PDs) of BAs were created by extrapolating PDs of linear alkanes (LAs). To account for methyl branching, an autoxidation reduction factor was applied to PDs. BAs in diesel fuel were shown to produce a higher proportion of SOA compared with LAs.
Yujin Jo, Myoseon Jang, Sanghee Han, Azad Madhu, Bonyoung Koo, Yiqin Jia, Zechen Yu, Soontae Kim, and Jinsoo Park
Atmos. Chem. Phys., 24, 487–508, https://doi.org/10.5194/acp-24-487-2024, https://doi.org/10.5194/acp-24-487-2024, 2024
Short summary
Short summary
The CAMx–UNIPAR model simulated the SOA budget formed via multiphase reactions of hydrocarbons and the impact of emissions and climate on SOA characteristics under California’s urban environments during winter 2018. SOA growth was dominated by daytime oxidation of long-chain alkanes and nighttime terpene oxidation with O3 and NO−3 radicals. The spatial distributions of anthropogenic SOA were affected by the northwesterly wind, whereas those of biogenic SOA were insensitive to wind directions.
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
Short summary
Short summary
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
Short summary
Short summary
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
Short summary
Short summary
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, 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
Short summary
Short summary
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.
Chufan Zhou, Myoseon Jang, and Zechen Yu
Atmos. Chem. Phys., 19, 5719–5735, https://doi.org/10.5194/acp-19-5719-2019, https://doi.org/10.5194/acp-19-5719-2019, 2019
Short summary
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.
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
Short summary
Short summary
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
Short summary
Short summary
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
Short summary
Short summary
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
Short summary
Short summary
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 and Data Analysis | Altitude Range: Troposphere | Science Focus: Chemistry (chemical composition and reactions)
Cluster-dynamics-based parameterization for sulfuric acid–dimethylamine nucleation: comparison and selection through box and three-dimensional modeling
Observed and CMIP6-model-simulated organic aerosol response to drought in the contiguous United States during summertime
Cooling radiative forcing effect enhancement of atmospheric amines and mineral particles caused by heterogeneous uptake and oxidation
Source-resolved atmospheric metal emissions, concentrations, and deposition fluxes into the East Asian seas
Analysis of secondary inorganic aerosols over the greater Athens area using the EPISODE–CityChem source dispersion and photochemistry model
Global estimates of ambient reactive nitrogen components during 2000–2100 based on the multi-stage model
The role of naphthalene and its derivatives in the formation of secondary organic aerosol in the Yangtze River Delta region, China
Unveiling the optimal regression model for source apportionment of the oxidative potential of PM10
Investigating the contribution of grown new particles to cloud condensation nuclei with largely varying preexisting particles – Part 2: Modeling chemical drivers and 3-D new particle formation occurrence
Technical note: Influence of different averaging metrics and temporal resolutions on the aerosol pH calculated by thermodynamic modeling
Dual roles of the inorganic aqueous phase on secondary organic aerosol growth from benzene and phenol
Global source apportionment of aerosols into major emission regions and sectors over 1850–2017
Modeling atmospheric brown carbon in the GISS ModelE Earth system model
Observation-constrained kinetic modeling of isoprene SOA formation in the atmosphere
Significant impact of urban tree biogenic emissions on air quality estimated by a bottom-up inventory and chemistry transport modeling
Secondary organic aerosols derived from intermediate-volatility n-alkanes adopt low-viscous phase state
Modeling the contribution of leads to sea spray aerosol in the high Arctic
Assessing the Effectiveness of SO2, NOx, and NH3 Emission Reductions in Mitigating Winter PM2.5 in Taiwan Using CMAQ Model
Modelling of atmospheric concentrations of fungal spores: a two-year simulation over France using CHIMERE
Modeling the drivers of fine PM pollution over Central Europe: impacts and contributions of emissions from different sources
Global Spatial Variation in the PM2.5 to AOD Relationship Strongly Influenced by Aerosol Composition
Reaction of SO3 with H2SO4 and its implications for aerosol particle formation in the gas phase and at the air–water interface
Weakened aerosol–radiation interaction exacerbating ozone pollution in eastern China since China's clean air actions
Uncertainties from biomass burning aerosols in air quality models obscure public health impacts in Southeast Asia
The Co-benefits of a Low-Carbon Future on Air Quality in Europe
Oxidative potential apportionment of atmospheric PM1: a new approach combining high-sensitive online analysers for chemical composition and offline OP measurement technique
Aqueous-phase chemistry of glyoxal with multifunctional reduced nitrogen compounds: a potential missing route for secondary brown carbon
An updated modeling framework to simulate Los Angeles air quality – Part 1: Model development, evaluation, and source apportionment
Frequent haze events associated with transport and stagnation over the corridor between the North China Plain and Yangtze River Delta
Evaluation of WRF-Chem-simulated meteorology and aerosols over northern India during the severe pollution episode of 2016
How well are aerosol–cloud interactions represented in climate models? – Part 1: Understanding the sulfate aerosol production from the 2014–15 Holuhraun eruption
pH regulates the formation of organosulfates and inorganic sulfate from organic peroxide reaction with dissolved SO2 in aquatic media
Technical note: Accurate, reliable, and high-resolution air quality predictions by improving the Copernicus Atmosphere Monitoring Service using a novel statistical post-processing method
Measurement report: Rapid oxidation of phenolic compounds by O3 and HO•: effects of air-water interface and mineral dust in tropospheric chemical processes
Contribution of intermediate-volatility organic compounds from on-road transport to secondary organic aerosol levels in Europe
Development of an integrated model framework for multi-air-pollutant exposure assessments in high-density cities
CAMx–UNIPAR simulation of secondary organic aerosol mass formed from multiphase reactions of hydrocarbons under the Central Valley urban atmospheres of California
Impact of urbanization on fine particulate matter concentrations over central Europe
Measurement report: Assessing the impacts of emission uncertainty on aerosol optical properties and radiative forcing from biomass burning in peninsular Southeast Asia
The Emissions Model Intercomparison Project (Emissions-MIP): quantifying model sensitivity to emission characteristics
Dynamics-based estimates of decline trend with fine temporal variations in China's PM2.5 emissions
Effects of simulated secondary organic aerosol water on PM1 levels and composition over the US
Reactive organic carbon air emissions from mobile sources in the United States
Development and evaluation of processes affecting simulation of diel fine particulate matter variation in the GEOS-Chem model
Substantially positive contributions of new particle formation to cloud condensation nuclei under low supersaturation in China based on numerical model improvements
Evolution of atmospheric age of particles and its implications for the formation of a severe haze event in eastern China
A multimodel evaluation of the potential impact of shipping on particle species in the Mediterranean Sea
How does tropospheric VOC chemistry affect climate? An investigation of preindustrial control simulations using the Community Earth System Model version 2
Anthropogenic amplification of biogenic secondary organic aerosol production
A dynamic parameterization of sulfuric acid–dimethylamine nucleation and its application in three-dimensional modeling
Jiewen Shen, Bin Zhao, Shuxiao Wang, An Ning, Yuyang Li, Runlong Cai, Da Gao, Biwu Chu, Yang Gao, Manish Shrivastava, Jingkun Jiang, Xiuhui Zhang, and Hong He
Atmos. Chem. Phys., 24, 10261–10278, https://doi.org/10.5194/acp-24-10261-2024, https://doi.org/10.5194/acp-24-10261-2024, 2024
Short summary
Short summary
We extensively compare various cluster-dynamics-based parameterizations for sulfuric acid–dimethylamine nucleation and identify a newly developed parameterization derived from Atmospheric Cluster Dynamic Code (ACDC) simulations as being the most reliable one. This study offers a valuable reference for developing parameterizations of other nucleation systems and is meaningful for the accurate quantification of the environmental and climate impacts of new particle formation.
Wei Li and Yuxuan Wang
Atmos. Chem. Phys., 24, 9339–9353, https://doi.org/10.5194/acp-24-9339-2024, https://doi.org/10.5194/acp-24-9339-2024, 2024
Short summary
Short summary
Droughts immensely increased organic aerosol (OA) in the contiguous United States in summer (1998–2019), notably in the Pacific Northwest (PNW) and Southeast (SEUS). The OA rise in the SEUS is driven by the enhanced formation of epoxydiol-derived secondary organic aerosol due to the increase in biogenic volatile organic compounds and sulfate, while in the PNW, it is caused by wildfires. A total of 10 climate models captured the OA increase in the PNW yet greatly underestimated it in the SEUS.
Weina Zhang, Jianhua Mai, Zhichao Fan, Yongpeng Ji, Yuemeng Ji, Guiying Li, Yanpeng Gao, and Taicheng An
Atmos. Chem. Phys., 24, 9019–9030, https://doi.org/10.5194/acp-24-9019-2024, https://doi.org/10.5194/acp-24-9019-2024, 2024
Short summary
Short summary
This study reveals heterogeneous oxidation causes further radiative forcing effect (RFE) enhancement of amine–mineral mixed particles. Note that RFE increment is higher under clean conditions than that under polluted conditions, which is contributed to high-oxygen-content products. The enhanced RFE of amine–mineral particles caused by heterogenous oxidation is expected to alleviate warming effects.
Shenglan Jiang, Yan Zhang, Guangyuan Yu, Zimin Han, Junri Zhao, Tianle Zhang, and Mei Zheng
Atmos. Chem. Phys., 24, 8363–8381, https://doi.org/10.5194/acp-24-8363-2024, https://doi.org/10.5194/acp-24-8363-2024, 2024
Short summary
Short summary
This study aims to provide gridded data on sea-wide concentrations, deposition fluxes, and soluble deposition fluxes with detailed source categories of metals using the modified CMAQ model. We developed a monthly emission inventory of six metals – Fe, Al, V, Ni, Zn, and Cu – from terrestrial anthropogenic, ship, and dust sources in East Asia in 2017. Our results reveal the contribution of each source to the emissions, concentrations, and deposition fluxes of metals in the East Asian seas.
Stelios Myriokefalitakis, Matthias Karl, Kim A. Weiss, Dimitris Karagiannis, Eleni Athanasopoulou, Anastasia Kakouri, Aikaterini Bougiatioti, Eleni Liakakou, Iasonas Stavroulas, Georgios Papangelis, Georgios Grivas, Despina Paraskevopoulou, Orestis Speyer, Nikolaos Mihalopoulos, and Evangelos Gerasopoulos
Atmos. Chem. Phys., 24, 7815–7835, https://doi.org/10.5194/acp-24-7815-2024, https://doi.org/10.5194/acp-24-7815-2024, 2024
Short summary
Short summary
A state-of-the-art thermodynamic model has been coupled with the city-scale chemistry transport model EPISODE–CityChem to investigate the equilibrium between the inorganic gas and aerosol phases over the greater Athens area, Greece. The simulations indicate that the formation of nitrates in an urban environment is significantly affected by local nitrogen oxide emissions, as well as ambient temperature, relative humidity, photochemical activity, and the presence of non-volatile cations.
Rui Li, Yining Gao, Lijia Zhang, Yubing Shen, Tianzhao Xu, Wenwen Sun, and Gehui Wang
Atmos. Chem. Phys., 24, 7623–7636, https://doi.org/10.5194/acp-24-7623-2024, https://doi.org/10.5194/acp-24-7623-2024, 2024
Short summary
Short summary
A three-stage model was developed to obtain the global maps of reactive nitrogen components during 2000–2100. The results implied that cross-validation R2 values of four species showed satisfactory performance (R2 > 0.55). Most reactive nitrogen components, except NH3, in China showed increases during 2000–2013. In the future scenarios, SSP3-7.0 (traditional-energy scenario) and SSP1-2.6 (carbon neutrality scenario) showed the highest and lowest reactive nitrogen component concentrations.
Fei Ye, Jingyi Li, Yaqin Gao, Hongli Wang, Jingyu An, Cheng Huang, Song Guo, Keding Lu, Kangjia Gong, Haowen Zhang, Momei Qin, and Jianlin Hu
Atmos. Chem. Phys., 24, 7467–7479, https://doi.org/10.5194/acp-24-7467-2024, https://doi.org/10.5194/acp-24-7467-2024, 2024
Short summary
Short summary
Naphthalene (Nap) and methylnaphthalene (MN) are key precursors of secondary organic aerosol (SOA), yet their sources and sinks are often inadequately represented in air quality models. In this study, we incorporated detailed emissions, gas-phase chemistry, and SOA parameterization of Nap and MN into CMAQ to address this issue. The findings revealed remarkably high SOA formation potentials for these compounds despite their low emissions in the Yangtze River Delta region during summer.
Vy Dinh Ngoc Thuy, Jean-Luc Jaffrezo, Ian Hough, Pamela A. Dominutti, Guillaume Salque Moreton, Grégory Gille, Florie Francony, Arabelle Patron-Anquez, Olivier Favez, and Gaëlle Uzu
Atmos. Chem. Phys., 24, 7261–7282, https://doi.org/10.5194/acp-24-7261-2024, https://doi.org/10.5194/acp-24-7261-2024, 2024
Short summary
Short summary
The capacity of particulate matter (PM) to generate reactive oxygen species in vivo is represented by oxidative potential (OP). This study focuses on finding the appropriate model to evaluate the oxidative character of PM sources in six sites using the PM sources and OP. Eight regression techniques are introduced to assess the OP of PM. The study highlights the importance of selecting a model according to the input data characteristics and establishes some recommendations for the procedure.
Ming Chu, Xing Wei, Shangfei Hai, Yang Gao, Huiwang Gao, Yujiao Zhu, Biwu Chu, Nan Ma, Juan Hong, Yele Sun, and Xiaohong Yao
Atmos. Chem. Phys., 24, 6769–6786, https://doi.org/10.5194/acp-24-6769-2024, https://doi.org/10.5194/acp-24-6769-2024, 2024
Short summary
Short summary
We used a 20-bin WRF-Chem model to simulate NPF events in the NCP during a three-week observational period in the summer of 2019. The model was able to reproduce the observations during June 29–July 6, which was characterized by a high frequency of NPF occurrence.
Haoqi Wang, Xiao Tian, Wanting Zhao, Jiacheng Li, Haoyu Yu, Yinchang Feng, and Shaojie Song
Atmos. Chem. Phys., 24, 6583–6592, https://doi.org/10.5194/acp-24-6583-2024, https://doi.org/10.5194/acp-24-6583-2024, 2024
Short summary
Short summary
pH is a key property of ambient aerosols, which affect many atmospheric processes. As aerosol pH is a non-conservative parameter, diverse averaging metrics and temporal resolutions may influence the pH values calculated by thermodynamic models. This technical note seeks to quantitatively evaluate the average pH using varied metrics and resolutions. The ultimate goal is to establish standardized reporting practices in future research endeavors.
Jiwon Choi, Myoseon Jang, and Spencer Blau
Atmos. Chem. Phys., 24, 6567–6582, https://doi.org/10.5194/acp-24-6567-2024, https://doi.org/10.5194/acp-24-6567-2024, 2024
Short summary
Short summary
Persistent phenoxy radical (PPR), formed by phenol gas oxidation and its aqueous reaction, catalytically destroys O3 and retards secondary organic aerosol (SOA) growth. Explicit gas mechanisms including the formation of PPR and low-volatility products from the oxidation of phenol or benzene are applied to the UNIPAR model to predict SOA mass via multiphase reactions of precursors. Aqueous reactions of reactive organics increase SOA mass but retard SOA growth via heterogeneously formed PPR.
Yang Yang, Shaoxuan Mou, Hailong Wang, Pinya Wang, Baojie Li, and Hong Liao
Atmos. Chem. Phys., 24, 6509–6523, https://doi.org/10.5194/acp-24-6509-2024, https://doi.org/10.5194/acp-24-6509-2024, 2024
Short summary
Short summary
The variations in anthropogenic aerosol concentrations and source contributions and their subsequent radiative impact in major emission regions during historical periods are quantified based on an aerosol-tagging system in E3SMv1. Due to the industrial development and implementation of economic policies, sources of anthropogenic aerosols show different variations, which has important implications for pollution prevention and control measures and decision-making for global collaboration.
Maegan A. DeLessio, Kostas Tsigaridis, Susanne E. Bauer, Jacek Chowdhary, and Gregory L. Schuster
Atmos. Chem. Phys., 24, 6275–6304, https://doi.org/10.5194/acp-24-6275-2024, https://doi.org/10.5194/acp-24-6275-2024, 2024
Short summary
Short summary
This study presents the first explicit representation of brown carbon aerosols in the GISS ModelE Earth system model (ESM). Model sensitivity to a range of brown carbon parameters and model performance compared to AERONET and MODIS retrievals of total aerosol properties were assessed. A summary of best practices for incorporating brown carbon into ModelE is also included.
Chuanyang Shen, Xiaoyan Yang, Joel Thornton, John Shilling, Chenyang Bi, Gabriel Isaacman-VanWertz, and Haofei Zhang
Atmos. Chem. Phys., 24, 6153–6175, https://doi.org/10.5194/acp-24-6153-2024, https://doi.org/10.5194/acp-24-6153-2024, 2024
Short summary
Short summary
In this work, a condensed multiphase isoprene oxidation mechanism was developed to simulate isoprene SOA formation from chamber and field studies. Our results show that the measured isoprene SOA mass concentrations can be reasonably reproduced. The simulation results indicate that multifunctional low-volatility products contribute significantly to total isoprene SOA. Our findings emphasize that the pathways to produce these low-volatility species should be considered in models.
Alice Maison, Lya Lugon, Soo-Jin Park, Alexia Baudic, Christopher Cantrell, Florian Couvidat, Barbara D'Anna, Claudia Di Biagio, Aline Gratien, Valérie Gros, Carmen Kalalian, Julien Kammer, Vincent Michoud, Jean-Eudes Petit, Marwa Shahin, Leila Simon, Myrto Valari, Jérémy Vigneron, Andrée Tuzet, and Karine Sartelet
Atmos. Chem. Phys., 24, 6011–6046, https://doi.org/10.5194/acp-24-6011-2024, https://doi.org/10.5194/acp-24-6011-2024, 2024
Short summary
Short summary
This study presents the development of a bottom-up inventory of urban tree biogenic emissions. Emissions are computed for each tree based on their location and characteristics and are integrated in the regional air quality model WRF-CHIMERE. The impact of these biogenic emissions on air quality is quantified for June–July 2022. Over Paris city, urban trees increase the concentrations of particulate organic matter by 4.6 %, of PM2.5 by 0.6 %, and of ozone by 1.0 % on average over 2 months.
Tommaso Galeazzo, Bernard Aumont, Marie Camredon, Richard Valorso, Yong B. Lim, Paul J. Ziemann, and Manabu Shiraiwa
Atmos. Chem. Phys., 24, 5549–5565, https://doi.org/10.5194/acp-24-5549-2024, https://doi.org/10.5194/acp-24-5549-2024, 2024
Short summary
Short summary
Secondary organic aerosol (SOA) derived from n-alkanes is a major component of anthropogenic particulate matter. We provide an analysis of n-alkane SOA by chemistry modeling, machine learning, and laboratory experiments, showing that n-alkane SOA adopts low-viscous semi-solid or liquid states. Our results indicate few kinetic limitations of mass accommodation in SOA formation, supporting the application of equilibrium partitioning for simulating n-alkane SOA in large-scale atmospheric models.
Rémy Lapere, Louis Marelle, Pierre Rampal, Laurent Brodeau, Christian Melsheimer, Gunnar Spreen, and Jennie L. Thomas
EGUsphere, https://doi.org/10.5194/egusphere-2024-1271, https://doi.org/10.5194/egusphere-2024-1271, 2024
Short summary
Short summary
Elongated open water areas in sea ice, called leads, can release marine aerosols into the atmosphere. In the Arctic, this source of atmospheric particles could play an important role for climate. However, the amount, seasonality and spatial distribution of such emissions are mostly unknown. Here, we propose a first parameterization for sea spray aerosols emitted through leads in sea ice and quantify their impact on aerosol populations in the high Arctic.
Ping-Chieh Huang, Hui-Ming Hung, Hsin-Chih Lai, and Charles C.-K. Chou
EGUsphere, https://doi.org/10.5194/egusphere-2024-343, https://doi.org/10.5194/egusphere-2024-343, 2024
Short summary
Short summary
Models were used to study ways to reduce PM pollution in Taiwan during winter. After considering various factors, such as physical processes and chemical reactions, we found that reducing NOx or NH3 emissions is more effective in mitigating PM2.5 than reducing SO2 emissions. When considering both efficiency and cost, reducing NH3 emissions seems to be a more suitable policy for the studied Taiwan's environment.
Matthieu Vida, Gilles Foret, Guillaume Siour, Florian Couvidat, Olivier Favez, Gaelle Uzu, Arineh Cholakian, Sébastien Conil, Matthias Beekmann, and Jean-Luc Jaffrezo
EGUsphere, https://doi.org/10.5194/egusphere-2024-698, https://doi.org/10.5194/egusphere-2024-698, 2024
Short summary
Short summary
We simulate 2 years of atmospheric fungal spores over France and use observations of polyols and primary biogenic factor from a PMF for the evaluation. The representation of emissions taking into account a proxy for vegetation surface and specific humidity enables us to reproduce very accurately the seasonal cycle of fungal spore. Furthermore, we estimate that fungal spores can can account for 20 % of PM10 and 40 % of the organic fraction of PM10 over vegetated areas in summer.
Lukáš Bartík, Peter Huszár, Jan Karlický, Ondřej Vlček, and Kryštof Eben
Atmos. Chem. Phys., 24, 4347–4387, https://doi.org/10.5194/acp-24-4347-2024, https://doi.org/10.5194/acp-24-4347-2024, 2024
Short summary
Short summary
The presented study deals with the attribution of fine particulate matter (PM2.5) concentrations to anthropogenic emissions over Central Europe using regional-scale models. It calculates the present-day contributions of different emissions sectors to concentrations of PM2.5 and its secondary components. Moreover, the study investigates the effect of chemical nonlinearities by using multiple source attribution methods and secondary organic aerosol calculation methods.
Haihui Zhu, Randall Martin, Aaron van Donkelaar, Melanie Hammer, Chi Li, Jun Meng, Christopher Oxford, Xuan Liu, Yanshun Li, Dandan Zhang, Inderjeet Singh, and Alexei Lyapustin
EGUsphere, https://doi.org/10.5194/egusphere-2024-950, https://doi.org/10.5194/egusphere-2024-950, 2024
Short summary
Short summary
Ambient fine particulate matter (PM2.5) contributes to 4 million deaths every year globally. Satellite remote sensing of aerosol optical depth (AOD) coupled with a simulated PM2.5 to AOD relationship (η) can provide global PM2.5 estimation. This study aims to understand the spatial pattern and driving factors of η to guide future measurement and model efforts. We quantified η globally and regionally and found its spatial variation is strongly influenced by the aerosol composition.
Rui Wang, Yang Cheng, Shasha Chen, Rongrong Li, Yue Hu, Xiaokai Guo, Tianlei Zhang, Fengmin Song, and Hao Li
Atmos. Chem. Phys., 24, 4029–4046, https://doi.org/10.5194/acp-24-4029-2024, https://doi.org/10.5194/acp-24-4029-2024, 2024
Short summary
Short summary
We used quantum chemical calculations, Born–Oppenheimer molecular dynamics simulations, and the ACDC kinetic model to characterize SO3–H2SO4 interaction in the gas phase and at the air–water interface and to study the effect of H2S2O7 on H2SO4–NH3-based clusters. The work expands our understanding of new pathways for the loss of SO3 in acidic polluted areas and helps reveal some missing sources of NPF in metropolitan industrial regions and understand the atmospheric organic–sulfur cycle better.
Hao Yang, Lei Chen, Hong Liao, Jia Zhu, Wenjie Wang, and Xin Li
Atmos. Chem. Phys., 24, 4001–4015, https://doi.org/10.5194/acp-24-4001-2024, https://doi.org/10.5194/acp-24-4001-2024, 2024
Short summary
Short summary
The present study quantifies the response of aerosol–radiation interaction (ARI) to anthropogenic emission reduction from 2013 to 2017, with the main focus on the contribution to changed O3 concentrations over eastern China both in summer and winter using the WRF-Chem model. The weakened ARI due to decreased anthropogenic emission aggravates the summer (winter) O3 pollution by +0.81 ppb (+0.63 ppb), averaged over eastern China.
Margaret R. Marvin, Paul I. Palmer, Fei Yao, Mohd Talib Latif, and Md Firoz Khan
Atmos. Chem. Phys., 24, 3699–3715, https://doi.org/10.5194/acp-24-3699-2024, https://doi.org/10.5194/acp-24-3699-2024, 2024
Short summary
Short summary
We use an atmospheric chemistry model to investigate aerosols emitted from fire activity across Southeast Asia. We find that the limited nature of measurements in this region leads to large uncertainties that significantly hinder the model representation of these aerosols and their impacts on air quality. As a result, the number of monthly attributable deaths is underestimated by as many as 4500, particularly in March at the peak of the mainland burning season.
Connor J. Clayton, Daniel R. Marsh, Steven T. Turnock, Ailish M. Graham, Kirsty J. Pringle, Carly L. Reddington, Rajesh Kumar, and James B. McQuaid
EGUsphere, https://doi.org/10.5194/egusphere-2024-755, https://doi.org/10.5194/egusphere-2024-755, 2024
Short summary
Short summary
We demonstrate that strong climate mitigation could lead to vastly improved air quality in Europe, however, only minimal benefits are seen following the current trajectory of climate mitigation. We use a model that allows us to see where the improvements are greatest (Central Europe) and analyse what sectors are most important for achieving these co-benefits (agriculture/power).
Julie Camman, Benjamin Chazeau, Nicolas Marchand, Amandine Durand, Grégory Gille, Ludovic Lanzi, Jean-Luc Jaffrezo, Henri Wortham, and Gaëlle Uzu
Atmos. Chem. Phys., 24, 3257–3278, https://doi.org/10.5194/acp-24-3257-2024, https://doi.org/10.5194/acp-24-3257-2024, 2024
Short summary
Short summary
Fine particle (PM1) pollution is a major health issue in the city of Marseille, which is subject to numerous pollution sources. Sampling carried out during the summer enabled a fine characterization of the PM1 sources and their oxidative potential, a promising new metric as a proxy for health impact. PM1 came mainly from combustion sources, secondary ammonium sulfate, and organic nitrate, while the oxidative potential of PM1 came from these sources and from resuspended dust in the atmosphere.
Yuemeng Ji, Zhang Shi, Wenjian Li, Jiaxin Wang, Qiuju Shi, Yixin Li, Lei Gao, Ruize Ma, Weijun Lu, Lulu Xu, Yanpeng Gao, Guiying Li, and Taicheng An
Atmos. Chem. Phys., 24, 3079–3091, https://doi.org/10.5194/acp-24-3079-2024, https://doi.org/10.5194/acp-24-3079-2024, 2024
Short summary
Short summary
The formation mechanisms for secondary brown carbon (SBrC) contributed by multifunctional reduced nitrogen compounds (RNCs) remain unclear. Hence, from combined laboratory experiments and quantum chemical calculations, we investigated the heterogeneous reactions of glyoxal (GL) with multifunctional RNCs, which are driven by four-step indirect nucleophilic addition reactions. Our results show a possible missing source for SBrC formation on urban, regional, and global scales.
Elyse A. Pennington, Yuan Wang, Benjamin C. Schulze, Karl M. Seltzer, Jiani Yang, Bin Zhao, Zhe Jiang, Hongru Shi, Melissa Venecek, Daniel Chau, Benjamin N. Murphy, Christopher M. Kenseth, Ryan X. Ward, Havala O. T. Pye, and John H. Seinfeld
Atmos. Chem. Phys., 24, 2345–2363, https://doi.org/10.5194/acp-24-2345-2024, https://doi.org/10.5194/acp-24-2345-2024, 2024
Short summary
Short summary
To assess the air quality in Los Angeles (LA), we improved the CMAQ model by using dynamic traffic emissions and new secondary organic aerosol schemes to represent volatile chemical products. Source apportionment demonstrates that the urban areas of the LA Basin and vicinity are NOx-saturated, with the largest sensitivity of O3 to changes in volatile organic compounds in the urban core. The improvement and remaining issues shed light on the future direction of the model development.
Feifan Yan, Hang Su, Yafang Cheng, Rujin Huang, Hong Liao, Ting Yang, Yuanyuan Zhu, Shaoqing Zhang, Lifang Sheng, Wenbin Kou, Xinran Zeng, Shengnan Xiang, Xiaohong Yao, Huiwang Gao, and Yang Gao
Atmos. Chem. Phys., 24, 2365–2376, https://doi.org/10.5194/acp-24-2365-2024, https://doi.org/10.5194/acp-24-2365-2024, 2024
Short summary
Short summary
PM2.5 pollution is a major air quality issue deteriorating human health, and previous studies mostly focus on regions like the North China Plain and Yangtze River Delta. However, the characteristics of PM2.5 concentrations between these two regions are studied less often. Focusing on the transport corridor region, we identify an interesting seesaw transport phenomenon with stagnant weather conditions, conducive to PM2.5 accumulation over this region, resulting in large health effects.
Prerita Agarwal, David S. Stevenson, and Mathew R. Heal
Atmos. Chem. Phys., 24, 2239–2266, https://doi.org/10.5194/acp-24-2239-2024, https://doi.org/10.5194/acp-24-2239-2024, 2024
Short summary
Short summary
Air pollution levels across northern India are amongst some of the worst in the world, with episodic and hazardous haze events. Here, the ability of the WRF-Chem model to predict air quality over northern India is assessed against several datasets. Whilst surface wind speed and particle pollution peaks are over- and underestimated, respectively, meteorology and aerosol trends are adequately captured, and we conclude it is suitable for investigating severe particle pollution events.
George Jordan, Florent Malavelle, Ying Chen, Amy Peace, Eliza Duncan, Daniel G. Partridge, Paul Kim, Duncan Watson-Parris, Toshihiko Takemura, David Neubauer, Gunnar Myhre, Ragnhild Skeie, Anton Laakso, and James Haywood
Atmos. Chem. Phys., 24, 1939–1960, https://doi.org/10.5194/acp-24-1939-2024, https://doi.org/10.5194/acp-24-1939-2024, 2024
Short summary
Short summary
The 2014–15 Holuhraun eruption caused a huge aerosol plume in an otherwise unpolluted region, providing a chance to study how aerosol alters cloud properties. This two-part study uses observations and models to quantify this relationship’s impact on the Earth’s energy budget. Part 1 suggests the models capture the observed spatial and chemical evolution of the plume, yet no model plume is exact. Understanding these differences is key for Part 2, where changes to cloud properties are explored.
Lin Du, Xiaofan Lv, Makroni Lily, Kun Li, and Narcisse Tsona Tchinda
Atmos. Chem. Phys., 24, 1841–1853, https://doi.org/10.5194/acp-24-1841-2024, https://doi.org/10.5194/acp-24-1841-2024, 2024
Short summary
Short summary
This study explores the pH effect on the reaction of dissolved SO2 with selected organic peroxides. Results show that the formation of organic and/or inorganic sulfate from these peroxides strongly depends on their electronic structures, and these processes are likely to alter the chemical composition of dissolved organic matter in different ways. The rate constants of these reactions exhibit positive pH and temperature dependencies within pH 1–10 and 240–340 K ranges.
Angelo Riccio and Elena Chianese
Atmos. Chem. Phys., 24, 1673–1689, https://doi.org/10.5194/acp-24-1673-2024, https://doi.org/10.5194/acp-24-1673-2024, 2024
Short summary
Short summary
Starting from the Copernicus Atmosphere Monitoring Service (CAMS), we provided a novel ensemble statistical post-processing approach to improve their air quality predictions. Our approach is able to provide reliable short-term forecasts of pollutant concentrations, which is a key challenge in supporting national authorities in their tasks related to EU Air Quality Directives, such as planning and reporting the state of air quality to the citizens.
Yanru Huo, Mingxue Li, Xueyu Wang, Jianfei Sun, Yuxin Zhou, Yuhui Ma, and Maoxia He
EGUsphere, https://doi.org/10.5194/egusphere-2023-2856, https://doi.org/10.5194/egusphere-2023-2856, 2024
Short summary
Short summary
This work found that the A-W interface and TiO2 clusters promote the oxidation of phenolic compounds (PhCs) to varying degrees comparing with gas phase, and bulk water. Some by-products are more harmful than their parent compounds. This work provides important evidence for the rapid oxidation observed in the O3/HO• + PhCs experiments at the A-W interface and in the mineral dust.
Stella E. I. Manavi and Spyros N. Pandis
Atmos. Chem. Phys., 24, 891–909, https://doi.org/10.5194/acp-24-891-2024, https://doi.org/10.5194/acp-24-891-2024, 2024
Short summary
Short summary
Organic vapors of intermediate volatility have often been neglected as sources of atmospheric organic aerosol. In this work we use a new approach for their simulation and quantify the contribution of these compounds emitted by transportation sources (gasoline and diesel vehicles) to particulate matter over Europe. The estimated secondary organic aerosol levels are on average 60 % higher than predicted by previous approaches. However, these estimates are probably lower limits.
Zhiyuan Li, Kin-Fai Ho, Harry Fung Lee, and Steve Hung Lam Yim
Atmos. Chem. Phys., 24, 649–661, https://doi.org/10.5194/acp-24-649-2024, https://doi.org/10.5194/acp-24-649-2024, 2024
Short summary
Short summary
This study developed an integrated model framework for accurate multi-air-pollutant exposure assessments in high-density and high-rise cities. Following the proposed integrated model framework, we established multi-air-pollutant exposure models for four major PM10 chemical species as well as four criteria air pollutants with R2 values ranging from 0.73 to 0.93. The proposed framework serves as an important tool for combined exposure assessment in epidemiological studies.
Yujin Jo, Myoseon Jang, Sanghee Han, Azad Madhu, Bonyoung Koo, Yiqin Jia, Zechen Yu, Soontae Kim, and Jinsoo Park
Atmos. Chem. Phys., 24, 487–508, https://doi.org/10.5194/acp-24-487-2024, https://doi.org/10.5194/acp-24-487-2024, 2024
Short summary
Short summary
The CAMx–UNIPAR model simulated the SOA budget formed via multiphase reactions of hydrocarbons and the impact of emissions and climate on SOA characteristics under California’s urban environments during winter 2018. SOA growth was dominated by daytime oxidation of long-chain alkanes and nighttime terpene oxidation with O3 and NO−3 radicals. The spatial distributions of anthropogenic SOA were affected by the northwesterly wind, whereas those of biogenic SOA were insensitive to wind directions.
Peter Huszar, Alvaro Patricio Prieto Perez, Lukáš Bartík, Jan Karlický, and Anahi Villalba-Pradas
Atmos. Chem. Phys., 24, 397–425, https://doi.org/10.5194/acp-24-397-2024, https://doi.org/10.5194/acp-24-397-2024, 2024
Short summary
Short summary
Urbanization transforms rural land into artificial land, while due to human activities, it also introduces a great quantity of emissions. We quantify the impact of urbanization on the final particulate matter pollutant levels by looking not only at these emissions, but also at the way urban land cover influences meteorological conditions, how the removal of pollutants changes due to urban land cover, and how biogenic emissions from vegetation change due to less vegetation in urban areas.
Yinbao Jin, Yiming Liu, Xiao Lu, Xiaoyang Chen, Ao Shen, Haofan Wang, Yinping Cui, Yifei Xu, Siting Li, Jian Liu, Ming Zhang, Yingying Ma, and Qi Fan
Atmos. Chem. Phys., 24, 367–395, https://doi.org/10.5194/acp-24-367-2024, https://doi.org/10.5194/acp-24-367-2024, 2024
Short summary
Short summary
This study aims to address these issues by evaluating eight independent biomass burning (BB) emission inventories (GFED, FINN1.5, FINN2.5 MOS, FINN2.5 MOSVIS, GFAS, FEER, QFED, and IS4FIRES) using the WRF-Chem model and analyzing their impact on aerosol optical properties (AOPs) and direct radiative forcing (DRF) during wildfire events in peninsular Southeast Asia (PSEA) that occurred in March 2019.
Hamza Ahsan, Hailong Wang, Jingbo Wu, Mingxuan Wu, Steven J. Smith, Susanne Bauer, Harrison Suchyta, Dirk Olivié, Gunnar Myhre, Hitoshi Matsui, Huisheng Bian, Jean-François Lamarque, Ken Carslaw, Larry Horowitz, Leighton Regayre, Mian Chin, Michael Schulz, Ragnhild Bieltvedt Skeie, Toshihiko Takemura, and Vaishali Naik
Atmos. Chem. Phys., 23, 14779–14799, https://doi.org/10.5194/acp-23-14779-2023, https://doi.org/10.5194/acp-23-14779-2023, 2023
Short summary
Short summary
We examine the impact of the assumed effective height of SO2 injection, SO2 and BC emission seasonality, and the assumed fraction of SO2 emissions injected as SO4 on climate and chemistry model results. We find that the SO2 injection height has a large impact on surface SO2 concentrations and, in some models, radiative flux. These assumptions are a
hiddensource of inter-model variability and may be leading to bias in some climate model results.
Zhen Peng, Lili Lei, Zhe-Min Tan, Meigen Zhang, Aijun Ding, and Xingxia Kou
Atmos. Chem. Phys., 23, 14505–14520, https://doi.org/10.5194/acp-23-14505-2023, https://doi.org/10.5194/acp-23-14505-2023, 2023
Short summary
Short summary
Annual PM2.5 emissions in China consistently decreased by about 3% to 5% from 2017 to 2020 with spatial variations and seasonal dependencies. High-temporal-resolution and dynamics-based PM2.5 emission estimates provide quantitative diurnal variations for each season. Significant reductions in PM2.5 emissions in the North China Plain and northeast of China in 2020 were caused by COVID-19.
Stylianos Kakavas, Spyros N. Pandis, and Athanasios Nenes
Atmos. Chem. Phys., 23, 13555–13564, https://doi.org/10.5194/acp-23-13555-2023, https://doi.org/10.5194/acp-23-13555-2023, 2023
Short summary
Short summary
Water uptake from organic species in aerosol can affect the partitioning of semi-volatile inorganic compounds but are not considered in global and chemical transport models. We address this with a version of the PM-CAMx model that considers such organic water effects and use it to carry out 1-year aerosol simulations over the continental US. We show that such organic water impacts can increase dry PM1 levels by up to 2 μg m-3 when RH levels and PM1 concentrations are high.
Benjamin N. Murphy, Darrell Sonntag, Karl M. Seltzer, Havala O. T. Pye, Christine Allen, Evan Murray, Claudia Toro, Drew R. Gentner, Cheng Huang, Shantanu Jathar, Li Li, Andrew A. May, and Allen L. Robinson
Atmos. Chem. Phys., 23, 13469–13483, https://doi.org/10.5194/acp-23-13469-2023, https://doi.org/10.5194/acp-23-13469-2023, 2023
Short summary
Short summary
We update methods for calculating organic particle and vapor emissions from mobile sources in the USA. Conventionally, particulate matter (PM) and volatile organic carbon (VOC) are speciated without consideration of primary semivolatile emissions. Our methods integrate state-of-the-science speciation profiles and correct for common artifacts when sampling emissions in a laboratory. We quantify impacts of the emission updates on ambient pollution with the Community Multiscale Air Quality model.
Yanshun Li, Randall V. Martin, Chi Li, Brian L. Boys, Aaron van Donkelaar, Jun Meng, and Jeffrey R. Pierce
Atmos. Chem. Phys., 23, 12525–12543, https://doi.org/10.5194/acp-23-12525-2023, https://doi.org/10.5194/acp-23-12525-2023, 2023
Short summary
Short summary
We developed and evaluated processes affecting within-day (diel) variability in PM2.5 concentrations in a chemical transport model over the contiguous US. Diel variability in PM2.5 for the contiguous US is driven by early-morning accumulation into a shallow mixed layer, decreases from mid-morning through afternoon with mixed-layer growth, increases from mid-afternoon through evening as the mixed-layer collapses, and decreases overnight as emissions decrease.
Chupeng Zhang, Shangfei Hai, Yang Gao, Yuhang Wang, Shaoqing Zhang, Lifang Sheng, Bin Zhao, Shuxiao Wang, Jingkun Jiang, Xin Huang, Xiaojing Shen, Junying Sun, Aura Lupascu, Manish Shrivastava, Jerome D. Fast, Wenxuan Cheng, Xiuwen Guo, Ming Chu, Nan Ma, Juan Hong, Qiaoqiao Wang, Xiaohong Yao, and Huiwang Gao
Atmos. Chem. Phys., 23, 10713–10730, https://doi.org/10.5194/acp-23-10713-2023, https://doi.org/10.5194/acp-23-10713-2023, 2023
Short summary
Short summary
New particle formation is an important source of atmospheric particles, exerting critical influences on global climate. Numerical models are vital tools to understanding atmospheric particle evolution, which, however, suffer from large biases in simulating particle numbers. Here we improve the model chemical processes governing particle sizes and compositions. The improved model reveals substantial contributions of newly formed particles to climate through effects on cloud condensation nuclei.
Xiaodong Xie, Jianlin Hu, Momei Qin, Song Guo, Min Hu, Dongsheng Ji, Hongli Wang, Shengrong Lou, Cheng Huang, Chong Liu, Hongliang Zhang, Qi Ying, Hong Liao, and Yuanhang Zhang
Atmos. Chem. Phys., 23, 10563–10578, https://doi.org/10.5194/acp-23-10563-2023, https://doi.org/10.5194/acp-23-10563-2023, 2023
Short summary
Short summary
The atmospheric age of particles reflects how long particles have been formed and suspended in the atmosphere, which is closely associated with the evolution processes of particles. An analysis of the atmospheric age of PM2.5 provides a unique perspective on the evolution processes of different PM2.5 components. The results also shed lights on how to design effective emission control actions under unfavorable meteorological conditions.
Lea Fink, Matthias Karl, Volker Matthias, Sonia Oppo, Richard Kranenburg, Jeroen Kuenen, Sara Jutterström, Jana Moldanova, Elisa Majamäki, and Jukka-Pekka Jalkanen
Atmos. Chem. Phys., 23, 10163–10189, https://doi.org/10.5194/acp-23-10163-2023, https://doi.org/10.5194/acp-23-10163-2023, 2023
Short summary
Short summary
The Mediterranean Sea is a heavily trafficked shipping area, and air quality monitoring stations in numerous cities along the Mediterranean coast have detected high levels of air pollutants originating from shipping emissions. The current study investigates how existing restrictions on shipping-related emissions to the atmosphere ensure compliance with legislation. Focus was laid on fine particles and particle species, which were simulated with five different chemical transport models.
Noah A. Stanton and Neil F. Tandon
Atmos. Chem. Phys., 23, 9191–9216, https://doi.org/10.5194/acp-23-9191-2023, https://doi.org/10.5194/acp-23-9191-2023, 2023
Short summary
Short summary
Chemistry in Earth’s atmosphere has a potentially strong but very uncertain impact on climate. Past attempts to fully model chemistry in Earth’s troposphere (the lowest layer of the atmosphere) typically simplified the representation of Earth’s surface, which in turn limited the ability to simulate changes in climate. The cutting-edge model that we use in this study does not require such simplification, and we use it to examine the climate effects of chemical interactions in the troposphere.
Yiqi Zheng, Larry W. Horowitz, Raymond Menzel, David J. Paynter, Vaishali Naik, Jingyi Li, and Jingqiu Mao
Atmos. Chem. Phys., 23, 8993–9007, https://doi.org/10.5194/acp-23-8993-2023, https://doi.org/10.5194/acp-23-8993-2023, 2023
Short summary
Short summary
Biogenic secondary organic aerosols (SOAs) account for a large fraction of fine aerosol at the global scale. Using long-term measurements and a climate model, we investigate anthropogenic impacts on biogenic SOA at both decadal and centennial timescales. Results show that despite reductions in biogenic precursor emissions, SOA has been strongly amplified by anthropogenic emissions since the preindustrial era and exerts a cooling radiative forcing.
Yuyang Li, Jiewen Shen, Bin Zhao, Runlong Cai, Shuxiao Wang, Yang Gao, Manish Shrivastava, Da Gao, Jun Zheng, Markku Kulmala, and Jingkun Jiang
Atmos. Chem. Phys., 23, 8789–8804, https://doi.org/10.5194/acp-23-8789-2023, https://doi.org/10.5194/acp-23-8789-2023, 2023
Short summary
Short summary
We set up a new parameterization for 1.4 nm particle formation rates from sulfuric acid–dimethylamine (SA–DMA) nucleation, fully including the effects of coagulation scavenging and cluster stability. Incorporating the new parameterization into 3-D chemical transport models, we achieved better consistencies between simulation results and observation data. This new parameterization provides new insights into atmospheric nucleation simulations and its effects on atmospheric pollution or health.
Cited articles
Aas, W., Mortier, A., Bowersox, V., Cherian, R., Faluvegi, G., Fagerli, H., Hand, J., Klimont, Z., Galy-Lacaux, C., and Lehmann, C. M.: Global and regional trends of atmospheric sulfur, Sci. Rep.-UK, 9, 1–11, 2019.
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., 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.
Appel, K. W., Bash, J. O., Fahey, K. M., Foley, K. M., Gilliam, R. C., Hogrefe, C., Hutzell, W. T., Kang, D., Mathur, R., Murphy, B. N., Napelenok, S. L., Nolte, C. G., Pleim, J. E., Pouliot, G. A., Pye, H. O. T., Ran, L., Roselle, S. J., Sarwar, G., Schwede, D. B., Sidi, F. I., Spero, T. L., and Wong, D. C.: The Community Multiscale Air Quality (CMAQ) model versions 5.3 and 5.3.1: system updates and evaluation, Geosci. Model Dev., 14, 2867–2897, https://doi.org/10.5194/gmd-14-2867-2021, 2021.
Baker, K. R., Carlton, A. G., Kleindienst, T. E., Offenberg, J. H., Beaver, M. R., Gentner, D. R., Goldstein, A. H., Hayes, P. L., Jimenez, J. L., Gilman, J. B., de Gouw, J. A., Woody, M. C., Pye, H. O. T., Kelly, J. T., Lewandowski, M., Jaoui, M., Stevens, P. S., Brune, W. H., Lin, Y.-H., Rubitschun, C. L., and Surratt, J. D.: Gas and aerosol carbon in California: comparison of measurements and model predictions in Pasadena and Bakersfield, Atmos. Chem. Phys., 15, 5243–5258, https://doi.org/10.5194/acp-15-5243-2015, 2015.
Barton, A. F.: CRC handbook of solubility parameters and other cohesion parameters, Routledge, https://doi.org/0.1201/9781315140575, 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.
Berndt, T., Scholz, W., Mentler, B., Fischer, L., Herrmann, H., Kulmala, M., and Hansel, A.:
Accretion product formation from self-and cross-reactions of RO2 radicals in the atmosphere,
Angew. Chem. Int. Edit.,
57, 3820–3824, 2018.
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.
Bianchi, F., Kurten, T., Riva, M., Mohr, C., Rissanen, M., Roldin, P., Berndt, T., Crounse, J., Wennberg, P., Mentel, T., Wildt, J., Junninen, H., Jokinen, T., Kulmala, M., Worsnop, D., Thornton, J., Donahue, N., Kjaergaard, H., 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.
Brooks, S. D., Wise, M. E., Cushing, M., and Tolbert, M. A.:
Deliquescence behavior of organic/ammonium sulfate aerosol,
Geophys. Res. Lett.,
29, 23-21–23-24, 2002.
Brune, W. H.:
The Chamber Wall Index for Gas–Wall Interactions in Atmospheric Environmental Enclosures,
Environ. Sci. Technol.,
53, 3645–3652, 2019.
Cao, G. and Jang, M.:
An SOA model for toluene oxidation in the presence of inorganic aerosols,
Environ. Sci. Technol.,
44, 727–733, 2010.
Cappa, C. D., Jathar, S. H., Kleeman, M. J., Docherty, K. S., Jimenez, J. L., Seinfeld, J. H., and Wexler, A. S.: Simulating secondary organic aerosol in a regional air quality model using the statistical oxidation model – Part 2: Assessing the influence of vapor wall losses, Atmos. Chem. Phys., 16, 3041–3059, https://doi.org/10.5194/acp-16-3041-2016, 2016.
Carlton, A. G. and Turpin, B. J.: Particle partitioning potential of organic compounds is highest in the Eastern US and driven by anthropogenic water, Atmos. Chem. Phys., 13, 10203–10214, https://doi.org/10.5194/acp-13-10203-2013, 2013.
Carlton, A. G., Bhave, P. V., Napelenok, S. L., Edney, E. O., Sarwar, G., Pinder, R. W., Pouliot, G. A., and Houyoux, M.:
Model representation of secondary organic aerosol in CMAQv4. 7,
Environ. Sci. Technol.,
44, 8553–8560, 2010.
Carlton, A. G., Christiansen, A. E., Flesch, M. M., Hennigan, C. J., and Sareen, N.:
Mulitphase Atmospheric Chemistry in Liquid Water: Impacts and Controllability of Organic Aerosol,
Accounts Chem. Res.,
53, 1715–1723, 2020.
Cohen, A., Brauer, M., Burnett, R., Anderson, H., Frostad, J., Estep, K., Balakrishnan, K., Brunekreef, B., Dandona, L., Dandona, R., Feigin, V., Freedman, G., Hubbell, B., Jobling, A., Kan, H., Knibbs, L., Liu, Y., Martin, R., Morawska, L., Pope, C., Shin, H., Straif, K., Shaddick, G., Thomas, M., van Dingenen, R., van Donkelaar, A., Vos, T., Murray, C., and Forouzanfar, M.:
Estimates and 25-year trends of the global burden of disease attributable to ambient air pollution: an analysis of data from the Global Burden of Diseases Study 2015,
Lancet,
389, 1907–1918, https://doi.org/10.1016/S0140-6736(17)30505-6, 2017.
Cox, R. A. and Yates, K.:
Kinetic equations for reactions in concentrated aqueous acids based on the concept of “excess acidity”,
Can. J. Chem.,
57, 2944–2951, 1979.
Damian, V., Sandu, A., Damian, M., Potra, F., and Carmichael, G. R.:
The kinetic preprocessor KPP-a software environment for solving chemical kinetics,
Comput. Chem. Eng.,
26, 1567–1579, 2002.
De Schrijver, F. and Smets, G.:
Polymerization kinetics in highly viscous media,
J. Polym. Sci. A1,
4, 2201–2210, 1966.
Donahue, N., Robinson, A., Stanier, C., and Pandis, S.:
Coupled partitioning, dilution, and chemical aging of semivolatile organics,
Environ. Sci. Technol.,
40, 2635–2643, https://doi.org/10.1021/es052297c, 2006.
Dzepina, K., Cappa, C. D., Volkamer, R. M., Madronich, S., DeCarlo, P. F., Zaveri, R. A., and Jimenez, J. L.:
Modeling the multiday evolution and aging of secondary organic aerosol during MILAGRO 2006,
Environ. Sci. Technol.,
45, 3496–3503, 2011.
Emmerson, K. M. and Evans, M. J.: Comparison of tropospheric gas-phase chemistry schemes for use within global models, Atmos. Chem. Phys., 9, 1831–1845, https://doi.org/10.5194/acp-9-1831-2009, 2009.
Ensberg, J. J., Hayes, P. L., Jimenez, J. L., Gilman, J. B., Kuster, W. C., de Gouw, J. A., Holloway, J. S., Gordon, T. D., Jathar, S., Robinson, A. L., and Seinfeld, J. H.: Emission factor ratios, SOA mass yields, and the impact of vehicular emissions on SOA formation, Atmos. Chem. Phys., 14, 2383–2397, https://doi.org/10.5194/acp-14-2383-2014, 2014.
Finlayson-Pitts, B. J. and Pitts Jr., J. N.: Chemistry of the upper and lower atmosphere: theory, experiments, and applications, Elsevier, https://doi.org/10.1016/B978-0-12-257060-5.X5000-X, 1999.
Gentner, D. R., Jathar, S. H., Gordon, T. D., Bahreini, R., Day, D. A., El Haddad, I., Hayes, P. L., Pieber, S. M., Platt, S. M., and de Gouw, J.:
Review of urban secondary organic aerosol formation from gasoline and diesel motor vehicle emissions,
Environ. Sci. Technol.,
51, 1074–1093, 2017.
Gross, D. S., Gälli, M. E., Kalberer, M., Prevot, A. S., Dommen, J., Alfarra, M. R., Duplissy, J., Gaeggeler, K., Gascho, A., and Metzger, A.:
Real-time measurement of oligomeric species in secondary organic aerosol with the aerosol time-of-flight mass spectrometer,
Anal. Chem.,
78, 2130–2137, 2006.
Hall IV, W. A. and Johnston, M. V.:
Oligomer content of α-pinene secondary organic aerosol,
Aerosol Sci. Tech.,
45, 37–45, 2011.
Hallquist, M., Wenger, J. C., Baltensperger, U., Rudich, Y., Simpson, D., Claeys, M., Dommen, J., Donahue, N. M., George, C., Goldstein, A. H., Hamilton, J. F., Herrmann, H., Hoffmann, T., Iinuma, Y., Jang, M., Jenkin, M. E., Jimenez, J. L., Kiendler-Scharr, A., Maenhaut, W., McFiggans, G., Mentel, Th. F., Monod, A., Prévôt, A. S. H., Seinfeld, J. H., Surratt, J. D., Szmigielski, R., and Wildt, J.: The formation, properties and impact of secondary organic aerosol: current and emerging issues, Atmos. Chem. Phys., 9, 5155–5236, https://doi.org/10.5194/acp-9-5155-2009, 2009.
Han, S. and Jang, M.: Simulating the impact of gas-wall partitioning on SOA formation using the explicit gas mechanism integrated with aqueous reactions containing electrolytes, Sci. Total Environ., 748, 141360, https://doi.org/10.1016/j.scitotenv.2020.141360, 2020.
Hayes, P. L., Carlton, A. G., Baker, K. R., Ahmadov, R., Washenfelder, R. A., Alvarez, S., Rappenglück, B., Gilman, J. B., Kuster, W. C., de Gouw, J. A., Zotter, P., Prévôt, A. S. H., Szidat, S., Kleindienst, T. E., Offenberg, J. H., Ma, P. K., and Jimenez, J. L.: Modeling the formation and aging of secondary organic aerosols in Los Angeles during CalNex 2010, Atmos. Chem. Phys., 15, 5773–5801, https://doi.org/10.5194/acp-15-5773-2015, 2015.
Heald, C., Henze, D., Horowitz, L., Feddema, J., Lamarque, J. F., Guenther, A., Hess, P., Vitt, F., Seinfeld, J., and Goldstein, A.: Predicted change in global secondary organic aerosol concentrations in response to future climate, emissions, and land use change, J. Geophys. Res, 113, D05211, https://doi.org/10.1029/2007JD009092, 2008.
Huang, Y., Zhao, R., Charan, S., Kenseth, C., Zhang, X., and Seinfeld, J.:
Unified Theory of Vapor-Wall Mass Transport in Teflon-Walled Environmental Chambers,
Environ. Sci. Technol.,
52, 2134–2142, https://doi.org/10.1021/acs.est.7b05575, 2018.
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.
Jang, M., Czoschke, N., Lee, S., and Kamens, R.:
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, 2005.
Jang, M., Czoschke, N. M., Northcross, A. L., Cao, G., and Shaof, D.:
SOA formation from partitioning and heterogeneous reactions: model study in the presence of inorganic species,
Environ. Sci. Technol.,
40, 3013–3022, 2006.
Jang, M., Sun, S., Winslow, R., Han, S., and Yu, Z.:
In situ aerosol acidity measurements using a UV–Visible micro-spectrometer and its application to the ambient air,
Aerosol Sci. Tech.,
54, 446–461, 2020.
Jathar, S. H., Mahmud, A., Barsanti, K. C., Asher, W. E., Pankow, J. F., and Kleeman, M. J.:
Water uptake by organic aerosol and its influence on gas/particle partitioning of secondary organic aerosol in the United States,
Atmos. Environ.,
129, 142–154, 2016.
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 β-caryophyllene, Atmos. Chem. Phys., 12, 5275–5308, https://doi.org/10.5194/acp-12-5275-2012, 2012.
Jerrett, M., Burnett, R. T., Pope III, C. A., Ito, K., Thurston, G., Krewski, D., Shi, Y., Calle, E., and Thun, M.:
Long-term ozone exposure and mortality,
New Engl. J. Med.,
360, 1085–1095, 2009.
Jimenez, J. L., Canagaratna, M., Donahue, N., Prevot, A., Zhang, Q., Kroll, J. H., DeCarlo, P. F., Allan, J. D., Coe, H., and Ng, N.:
Evolution of organic aerosols in the atmosphere,
Science,
326, 1525–1529, 2009.
Kalberer, M., Paulsen, D., Sax, M., Steinbacher, M., Dommen, J., Prévôt, A. S., Fisseha, R., Weingartner, E., Frankevich, V., and Zenobi, R.:
Identification of polymers as major components of atmospheric organic aerosols,
Science,
303, 1659–1662, 2004.
Kalberer, M., Sax, M., and Samburova, V.:
Molecular size evolution of oligomers in organic aerosols collected in urban atmospheres and generated in a smog chamber,
Environ. Sci. Technol.,
40, 5917–5922, 2006.
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.
Koop, T., Bookhold, J., Shiraiwa, M., and Pöschl, U.:
Glass transition and phase state of organic compounds: dependency on molecular properties and implications for secondary organic aerosols in the atmosphere,
Phys. Chem. Chem. Phys.,
13, 19238–19255, 2011.
Krechmer, J., Pagonis, D., Ziemann, P., and Jimenez, J.:
Quantification of Gas-Wall Partitioning in Teflon Environmental Chambers Using Rapid Bursts of Low-Volatility Oxidized Species Generated in Situ,
Environ. Sci. Technol.,
50, 5757–5765, https://doi.org/10.1021/acs.est.6b00606, 2016.
Krechmer, J. E., Day, D. A., and Jimenez, J. L.:
Always Lost but Never Forgotten: Gas-Phase Wall Losses Are Important in All Teflon Environmental Chambers,
Environ. Sci. Technol.,
54, 12890–12897, 2020.
Li, J. and Jang, M.:
Aerosol acidity measurement using colorimetry coupled with a reflectance UV-visible spectrometer,
Aerosol Sci. Tech.,
46, 833–842, 2012.
Li, W., Li, L., Chen, C.-l., Kacarab, M., Peng, W., Price, D., Xu, J., and Cocker III, D. R.:
Potential of select intermediate-volatility organic compounds and consumer products for secondary organic aerosol and ozone formation under relevant urban conditions,
Atmos. Environ.,
178, 109–117, 2018.
Malm, W. C., Schichtel, B. A., Hand, J. L., and Collett Jr, J. L.:
Concurrent temporal and spatial trends in sulfate and organic mass concentrations measured in the IMPROVE monitoring program,
J. Geophys.Res.-Atmos.,
122, 10,462-410,476, 2017.
Matsunaga, A. and Ziemann, P.:
Gas-Wall Partitioning of Organic Compounds in a Teflon Film Chamber and Potential Effects on Reaction Product and Aerosol Yield Measurements,
Aerosol Sci. Tech.,
44, 881–892, https://doi.org/10.1080/02786826.2010.501044, 2010.
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., and McKeen, S. A.:
Volatile chemical products emerging as largest petrochemical source of urban organic emissions,
Science,
359, 760–764, 2018.
Myrdal, P. B. and Yalkowsky, S. H.:
Estimating pure component vapor pressures of complex organic molecules,
Ind. Eng. Chem. Res.,
36, 2494–2499, 1997.
Odian, G.: Principles of polymerization, John Wiley & Sons, https://doi.org/10.1002/047147875X, 2004.
Odum, J., Hoffmann, T., Bowman, F., Collins, D., Flagan, R., and Seinfeld, J.:
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 the gas/aerosol partitioning involved in the formation of secondary organic aerosol,
Atmos. Environ.,
28, 189–193, 1994.
Pöschl, U.:
Atmospheric aerosols: composition, transformation, climate and health effects,
Angew. Chem. Int. Edit.,
44, 7520–7540, 2005.
Press, W. H., Teukolsky, S. A., Flannery, B. P., and Vetterling, W. T.:
Numerical recipes in Fortran 77: volume 1, volume 1 of Fortran numerical recipes: the art of scientific computing, Cambridge University Press, ISBN 9780521430647, 1992.
Pye, H. O., D'Ambro, E. L., Lee, B. H., Schobesberger, S., Takeuchi, M., Zhao, Y., Lopez-Hilfiker, F., Liu, J., Shilling, J. E., and Xing, J.:
Anthropogenic enhancements to production of highly oxygenated molecules from autoxidation,
P. Natl. Acad. Sci. USA,
116, 6641–6646, 2019.
Pye, H. O. T., Murphy, B. N., Xu, L., Ng, N. L., Carlton, A. G., Guo, H., Weber, R., Vasilakos, P., Appel, K. W., Budisulistiorini, S. H., Surratt, J. D., Nenes, A., Hu, W., Jimenez, J. L., Isaacman-VanWertz, G., Misztal, P. K., and Goldstein, A. H.: On the implications of aerosol liquid water and phase separation for organic aerosol mass, Atmos. Chem. Phys., 17, 343–369, https://doi.org/10.5194/acp-17-343-2017, 2017.
Qin, M., Murphy, B. N., Isaacs, K. K., McDonald, B. C., Lu, Q., McKeen, S. A., Koval, L., Robinson, A. L., Efstathiou, C., and Allen, C.:
Criteria pollutant impacts of volatile chemical products informed by near-field modelling,
Nature Sustainability,
4, 129–137, 2021.
Reid, J. P., Bertram, A. K., Topping, D. O., Laskin, A., Martin, S. T., Petters, M. D., Pope, F. D., and Rovelli, G.:
The viscosity of atmospherically relevant organic particles,
Nat. Commun.,
9, 1–14, 2018.
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, 2001.
Shah, R. U., Coggon, M. M., Gkatzelis, G. I., McDonald, B. C., Tasoglou, A., Huber, H., Gilman, J., Warneke, C., Robinson, A. L., and Presto, A. A.:
Urban oxidation flow reactor measurements reveal significant secondary organic aerosol contributions from volatile emissions of emerging importance,
Environ. Sci. Technol.,
54, 714–725, 2019.
Shiraiwa, M. and Seinfeld, J. H.: Equilibration timescale of atmospheric secondary organic aerosol partitioning, Geophys. Res. Lett., 39, L24801, https://doi.org/10.1029/2012GL054008, 2012.
Shiraiwa, M., Ammann, M., Koop, T., and Pöschl, U.:
Gas uptake and chemical aging of semisolid organic aerosol particles,
P. Natl. Acad. Sci. USA,
108, 11003–11008, 2011.
Stein, S. and Brown, R.:
Estimation of normal boiling points from group contributions,
J. Chem. Inf. Comp. Sci.,
34, 581–587, https://doi.org/10.1021/ci00019a016, 1994.
Tang, I. and Munkelwitz, H.:
Aerosol phase transformation and growth in the atmosphere,
J. Appl. Meteorol.,
33, 791–796, 1994.
Tolocka, M., Jang, M., Ginter, J., Cox, F., Kamens, R., and Johnston, M.:
Formation of oligomers in secondary organic aerosol,
Environ. Sci. Technol.,
38, 1428–1434, https://doi.org/10.1021/es035030r, 2004.
Turner, M. C., Jerrett, M., Pope III, C. A., Krewski, D., Gapstur, S. M., Diver, W. R., Beckerman, B. S., Marshall, J. D., Su, J., and Crouse, D. L.:
Long-term ozone exposure and mortality in a large prospective study,
Am. J. Resp. Crit. Care,
193, 1134–1142, 2016.
Volkamer, R., Jimenez, J., San Martini, F., Dzepina, K., Zhang, Q., Salcedo, D., Molina, L., Worsnop, D., and Molina, M.: Secondary organic aerosol formation from anthropogenic air pollution: Rapid and higher than expected, Geophys. Res. Lett., 33, L17811, https://doi.org/10.1029/2006GL026899, 2006.
Woody, M. C., Baker, K. R., Hayes, P. L., Jimenez, J. L., Koo, B., and Pye, H. O. T.: Understanding sources of organic aerosol during CalNex-2010 using the CMAQ-VBS, Atmos. Chem. Phys., 16, 4081–4100, https://doi.org/10.5194/acp-16-4081-2016, 2016.
Yarwood, G., Rao, S., Yocke, M., and Whitten, G.: Updates to the carbon bond mechanism: CB05, Report to the US Environmental Protection Agency. RT-04, 675, available at: https://camx-wp.azurewebsites.net/Files/CB05_Final_Report_120805.pdf (last access: 7 January 2022), 2005.
Yarwood, G., Jung, J., Whitten, G. Z., Heo, G., Mellberg, J., and Estes, M.:
Updates to the Carbon Bond mechanism for version 6 (CB6),
9th Annual CMAS Conference, Chapel Hill, NC, 2010, 11–13, 2010.
Yeh, G. and Ziemann, P.:
Gas-Wall Partitioning of Oxygenated Organic Compounds: Measurements, Structure-Activity Relationships, and Correlation with Gas Chromatographic Retention Factor,
Aerosol Sci. Tech.,
49, 726–737, https://doi.org/10.1080/02786826.2015.1068427, 2015.
Yu, Z., Jang, M., Zhang, T., Madhu, A., and Han, S.: Simulation of Monoterpene SOA Formation by Multiphase Reactions Using Explicit Mechanisms, ACS Earth Space Chem., 5, 1455–1467, https://doi.org/10.1021/acsearthspacechem.1c00056, 2021.
Zhang, X., Cappa, C., Jathar, S., Mcvay, R., Ensberg, J., Kleeman, M., and Seinfeld, J.:
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.
Zhao, L., Li, P., and Yalkowsky, S.:
Predicting the entropy of boiling for organic compounds,
J. Chem. Inf. Comp. Sci.,
39, 1112–1116, https://doi.org/10.1021/ci990054w, 1999.
Zhou, C., Jang, M., and Yu, Z.: Simulation of SOA formation from the photooxidation of monoalkylbenzenes in the presence of aqueous aerosols containing electrolytes under various NOx levels, Atmos. Chem. Phys., 19, 5719–5735, https://doi.org/10.5194/acp-19-5719-2019, 2019.
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 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.
The gasoline SOA formation potential was simulated by using the UNIPAR model coupled with CB6r3...
Altmetrics
Final-revised paper
Preprint