Articles | Volume 24, issue 9
https://doi.org/10.5194/acp-24-5549-2024
© Author(s) 2024. This work is distributed under
the Creative Commons Attribution 4.0 License.
the Creative Commons Attribution 4.0 License.
https://doi.org/10.5194/acp-24-5549-2024
© Author(s) 2024. This work is distributed under
the Creative Commons Attribution 4.0 License.
the Creative Commons Attribution 4.0 License.
Research article
| 
14 May 2024
Research article |
| 14 May 2024
| 14 May 2024
Secondary organic aerosols derived from intermediate-volatility n-alkanes adopt low-viscous phase state
Tommaso Galeazzo
Department of Chemistry, University of California, Irvine, Irvine, California 92625, USA
Bernard Aumont
Univ Paris Est Creteil and Université Paris Cité, LISA, CNRS, 94010 Créteil, France
Marie Camredon
Univ Paris Est Creteil and Université Paris Cité, LISA, CNRS, 94010 Créteil, France
Richard Valorso
Univ Paris Est Creteil and Université Paris Cité, LISA, CNRS, 94010 Créteil, France
Yong B. Lim
Mobile Source Laboratory Division, California Air Resources Board, Riverside, California 92507, USA
Paul J. Ziemann
Department of Chemistry, University of Colorado Boulder, Boulder, Colorado 80309, USA
Cooperative Institute for Research in Environmental Sciences (CIRES), University of Colorado Boulder, Boulder, Colorado 80309, USA
Department of Chemistry, University of California, Irvine, Irvine, California 92625, USA
Related authors
Matteo Krüger, Tommaso Galeazzo, Ivan Eremets, Bertil Schmidt, Ulrich Pöschl, Manabu Shiraiwa, and Thomas Berkemeier
EGUsphere, https://doi.org/10.5194/egusphere-2025-1191, https://doi.org/10.5194/egusphere-2025-1191, 2025
Short summary
Short summary
This work uses machine learning to predict saturation vapor pressures of atmospherically-relevant organic compounds, crucial for partitioning of secondary organic aerosol (SOA). We introduce a new method using graph convolutional neural networks, in which molecular graphs enable the model to capture molecular connectivity better than with non-structural embeddings. The method shows strong agreement with experimentally determined vapor pressures, and outperforms existing estimation methods.
Laura M. D. Heinlein, Junwei He, Michael Oluwatoyin Sunday, Fangzhou Guo, James Campbell, Allison Moon, Sukriti Kapur, Ting Fang, Kasey Edwards, Meeta Cesler-Maloney, Alyssa J. Burns, Jack Dibb, William Simpson, Manabu Shiraiwa, Becky Alexander, Jingqiu Mao, James H. Flynn III, Jochen Stutz, and Cort Anastasio
Atmos. Chem. Phys., 25, 9561–9581, https://doi.org/10.5194/acp-25-9561-2025, https://doi.org/10.5194/acp-25-9561-2025, 2025
Short summary
Short summary
High-latitude cities like Fairbanks, Alaska, experience severe wintertime pollution episodes. While conventional wisdom holds that oxidation is slow under these conditions, field measurements find oxidized products in particles. To explore this, we measured oxidants in aqueous extracts of winter particles from Fairbanks. We find high concentrations of oxidants during illumination experiments, indicating that particle photochemistry can be significant even in high latitudes during winter.
Sara L. Farrell, Quazi Z. Rasool, Havala O. T. Pye, Yue Zhang, Ying Li, Yuzhi Chen, Chi-Tsan Wang, Haofei Zhang, Ryan Schmedding, Manabu Shiraiwa, Jaime Greene, Sri H. Budisulistiorini, Jose L. Jimenez, Weiwei Hu, Jason D. Surratt, and William Vizuete
EGUsphere, https://doi.org/10.5194/egusphere-2025-2253, https://doi.org/10.5194/egusphere-2025-2253, 2025
This preprint is open for discussion and under review for Atmospheric Chemistry and Physics (ACP).
Short summary
Short summary
Fine particulate matter (PM2.5) has become increasingly important to regulate and model. In this study, we parameterize non-ideal aerosol mixing and phase state into the Community Multiscale Air Quality (CMAQ) model and analyze its impact on the formation of a globally important source of PM2.5, isoprene epoxydiol (IEPOX)-derived PM2.5. Incorporating these features furthers model bias in IEPOX-derived PM2.5, however, this work provides potential phase state bounds for future PM2.5 modeling work.
Andre Schaum, Kelvin Bates, Kyung-Eun Min, Faith Myers, Emmaline Longnecker, Manjula Canagaratna, Mitchell Alton, and Paul Ziemann
Aerosol Research Discuss., https://doi.org/10.5194/ar-2025-23, https://doi.org/10.5194/ar-2025-23, 2025
Preprint under review for AR
Short summary
Short summary
Organic aerosols consist of complex chemical mixtures that are challenging to characterize using chemical ionization mass spectrometry alone. This study presents a method for coupling liquid chromatography and chemical ionization mass spectrometry for offline analysis of organic aerosols. Evaluation of the method using standards and laboratory-generated and field-collected organic aerosols showed that it can provide detailed characterization of environmentally relevant mixtures.
Michael Oluwatoyin Sunday, Laura Marie Dahler Heinlein, Junwei He, Allison Moon, Sukriti Kapur, Ting Fang, Kasey C. Edwards, Fangzhou Guo, Jack Dibb, James H. Flynn III, Becky Alexander, Manabu Shiraiwa, and Cort Anastasio
Atmos. Chem. Phys., 25, 5087–5100, https://doi.org/10.5194/acp-25-5087-2025, https://doi.org/10.5194/acp-25-5087-2025, 2025
Short summary
Short summary
Hydrogen peroxide (HOOH) is an important oxidant that forms atmospheric sulfate. We demonstrate that the illumination of brown carbon can rapidly form HOOH within particles, even under the low-sunlight conditions of Fairbanks, Alaska, during winter. This in-particle formation of HOOH is fast enough that it forms sulfate at significant rates. In contrast, the formation of HOOH in the gas phase during the campaign is expected to be negligible because of high NOx levels.
Matteo Krüger, Tommaso Galeazzo, Ivan Eremets, Bertil Schmidt, Ulrich Pöschl, Manabu Shiraiwa, and Thomas Berkemeier
EGUsphere, https://doi.org/10.5194/egusphere-2025-1191, https://doi.org/10.5194/egusphere-2025-1191, 2025
Short summary
Short summary
This work uses machine learning to predict saturation vapor pressures of atmospherically-relevant organic compounds, crucial for partitioning of secondary organic aerosol (SOA). We introduce a new method using graph convolutional neural networks, in which molecular graphs enable the model to capture molecular connectivity better than with non-structural embeddings. The method shows strong agreement with experimentally determined vapor pressures, and outperforms existing estimation methods.
Mega Octaviani, Benjamin A. Musa Bandowe, Qing Mu, Jake Wilson, Holger Tost, Hang Su, Yafang Cheng, Manabu Shiraiwa, Ulrich Pöschl, Thomas Berkemeier, and Gerhard Lammel
EGUsphere, https://doi.org/10.5194/egusphere-2025-186, https://doi.org/10.5194/egusphere-2025-186, 2025
This preprint is open for discussion and under review for Geoscientific Model Development (GMD).
Short summary
Short summary
This research explores the atmospheric concentration of benzo(a)pyrene (BaP), a harmful air pollutant linked to lung cancer. Using advanced Earth system modeling, the study examines how BaP's degradation varies with temperature and humidity, affecting its global distribution and associated lung cancer risks. The findings reveal that BaP persists longer in colder, less humid regions, leading to higher lung cancer risks in parts of Europe and Asia.
Barbara Ervens, Andrew Rickard, Bernard Aumont, William P. L. Carter, Max McGillen, Abdelwahid Mellouki, John Orlando, Bénédicte Picquet-Varrault, Paul Seakins, William R. Stockwell, Luc Vereecken, and Timothy J. Wallington
Atmos. Chem. Phys., 24, 13317–13339, https://doi.org/10.5194/acp-24-13317-2024, https://doi.org/10.5194/acp-24-13317-2024, 2024
Short summary
Short summary
Chemical mechanisms describe the chemical processes in atmospheric models that are used to describe the changes in the atmospheric composition. Therefore, accurate chemical mechanisms are necessary to predict the evolution of air pollution and climate change. The article describes all steps that are needed to build chemical mechanisms and discusses the advances and needs of experimental and theoretical research activities needed to build reliable chemical mechanisms.
Lauri Franzon, Marie Camredon, Richard Valorso, Bernard Aumont, and Theo Kurtén
Atmos. Chem. Phys., 24, 11679–11699, https://doi.org/10.5194/acp-24-11679-2024, https://doi.org/10.5194/acp-24-11679-2024, 2024
Short summary
Short summary
In this article we investigate the formation of large, sticky molecules from various organic compounds entering the atmosphere as primary emissions and the degree to which these processes may contribute to organic aerosol particle mass. More specifically, we qualitatively investigate a recently discovered chemical reaction channel for one of the most important short-lived radical compounds, peroxy radicals, and discover which of these reactions are most atmospherically important.
Melinda K. Schueneman, Douglas A. Day, Dongwook Kim, Pedro Campuzano-Jost, Seonsik Yun, Marla P. DeVault, Anna C. Ziola, Paul J. Ziemann, and Jose L. Jimenez
Aerosol Research, 2, 59–76, https://doi.org/10.5194/ar-2-59-2024, https://doi.org/10.5194/ar-2-59-2024, 2024
Short summary
Short summary
Our study presents a novel method for quantifying mass spectrometer responses to molecular species in organic aerosols. Traditional calibrations often fail for complex mixtures like secondary organic aerosol. We combined chromatography with statistical component analysis to improve separation and quantification, achieving promising agreement with direct calibration. Our findings offer a new approach to assess aerosol composition, especially beneficial for complex mixtures.
Zhiqiang Zhang, Ying Li, Haiyan Ran, Junling An, Yu Qu, Wei Zhou, Weiqi Xu, Weiwei Hu, Hongbin Xie, Zifa Wang, Yele Sun, and Manabu Shiraiwa
Atmos. Chem. Phys., 24, 4809–4826, https://doi.org/10.5194/acp-24-4809-2024, https://doi.org/10.5194/acp-24-4809-2024, 2024
Short summary
Short summary
Secondary organic aerosols (SOAs) can exist in liquid, semi-solid, or amorphous solid states, which are rarely accounted for in current chemical transport models. We predict the phase state of SOA particles over China and find that in northwestern China SOA particles are mostly highly viscous or glassy solid. Our results indicate that the particle phase state should be considered in SOA formation in chemical transport models for more accurate prediction of SOA mass concentrations.
Daniel A. Knopf, Markus Ammann, Thomas Berkemeier, Ulrich Pöschl, and Manabu Shiraiwa
Atmos. Chem. Phys., 24, 3445–3528, https://doi.org/10.5194/acp-24-3445-2024, https://doi.org/10.5194/acp-24-3445-2024, 2024
Short summary
Short summary
The initial step of interfacial and multiphase chemical processes involves adsorption and desorption of gas species. This study demonstrates the role of desorption energy governing the residence time of the gas species at the environmental interface. A parameterization is formulated that enables the prediction of desorption energy based on the molecular weight, polarizability, and oxygen-to-carbon ratio of the desorbing chemical species. Its application to gas–particle interactions is discussed.
Melissa A. Morris, Demetrios Pagonis, Douglas A. Day, Joost A. de Gouw, Paul J. Ziemann, and Jose L. Jimenez
Atmos. Meas. Tech., 17, 1545–1559, https://doi.org/10.5194/amt-17-1545-2024, https://doi.org/10.5194/amt-17-1545-2024, 2024
Short summary
Short summary
Polymer absorption of volatile organic compounds (VOCs) is important to characterize for atmospheric sampling setups (as interactions cause sampling delays) and indoor air quality. Here we test different polymer materials and quantify their absorptive capacities through modeling. We found the main polymers in carpets to be highly absorptive, acting as large reservoirs for indoor pollution. We also demonstrated how polymer tubes can be used as a low-cost gas separation technique.
Victor Lannuque, Barbara D'Anna, Evangelia Kostenidou, Florian Couvidat, Alvaro Martinez-Valiente, Philipp Eichler, Armin Wisthaler, Markus Müller, Brice Temime-Roussel, Richard Valorso, and Karine Sartelet
Atmos. Chem. Phys., 23, 15537–15560, https://doi.org/10.5194/acp-23-15537-2023, https://doi.org/10.5194/acp-23-15537-2023, 2023
Short summary
Short summary
Large uncertainties remain in understanding secondary organic aerosol (SOA) formation from toluene oxidation. In this study, speciation measurements in gaseous and particulate phases were carried out, providing partitioning and volatility data on individual toluene SOA components at different temperatures. A new detailed oxidation mechanism was developed to improve modeled speciation, and effects of different processes involved in gas–particle partitioning at the molecular scale are explored.
Meredith Schervish and Manabu Shiraiwa
Atmos. Chem. Phys., 23, 221–233, https://doi.org/10.5194/acp-23-221-2023, https://doi.org/10.5194/acp-23-221-2023, 2023
Short summary
Short summary
Secondary organic aerosols (SOAs) can exhibit complex non-ideal behavior and adopt an amorphous semisolid state. We simulate condensation of semi-volatile compounds into a phase-separated particle to investigate the effect of non-ideality and particle phase state on the equilibration timescale of SOA partitioning. Our results provide useful insights into the interpretation of experimental observations and the description and treatment of SOA in aerosol models.
Etienne Terrenoire, Didier A. Hauglustaine, Yann Cohen, Anne Cozic, Richard Valorso, Franck Lefèvre, and Sigrun Matthes
Atmos. Chem. Phys., 22, 11987–12023, https://doi.org/10.5194/acp-22-11987-2022, https://doi.org/10.5194/acp-22-11987-2022, 2022
Short summary
Short summary
Aviation NOx emissions not only have an impact on global climate by changing ozone and methane levels in the atmosphere, but also contribute to the deterioration of local air quality. The LMDZ-INCA global model is applied to re-evaluate the impact of aircraft NOx and aerosol emissions on climate. We investigate the impact of present-day and future (2050) aircraft emissions on atmospheric composition and the associated radiative forcings of climate for ozone, methane and aerosol direct forcings.
Emily B. Franklin, Lindsay D. Yee, Bernard Aumont, Robert J. Weber, Paul Grigas, and Allen H. Goldstein
Atmos. Meas. Tech., 15, 3779–3803, https://doi.org/10.5194/amt-15-3779-2022, https://doi.org/10.5194/amt-15-3779-2022, 2022
Short summary
Short summary
The composition of atmospheric aerosols are extremely complex, containing hundreds of thousands of estimated individual compounds. The majority of these compounds have never been catalogued in widely used databases, making them extremely difficult for atmospheric chemists to identify and analyze. In this work, we present Ch3MS-RF, a machine-learning-based model to enable characterization of complex mixtures and prediction of structure-specific properties of unidentifiable organic compounds.
Hoang Duong Do, Yong Bin Lim, and Yong Pyo Kim
Atmos. Chem. Phys. Discuss., https://doi.org/10.5194/acp-2022-364, https://doi.org/10.5194/acp-2022-364, 2022
Revised manuscript not accepted
Short summary
Short summary
Using HTDMA measurements and thermodynamic model simulations we found that 1) Nitrate aerosols maintain deliquescence in the entire range of 10–90% RH; 2) ALWC and nitrates in ammonium-sulfate-nitrate aerosols simultaneously evaporate; 3) Glyoxal exhibits a synergetic effect on ALWC formation with ammonium sulfates; and 4) In NH4-SO4-NO3-glyoxal aerosols, more ALWC and nitrates form above 50 % RH.
Mike J. Newland, Camille Mouchel-Vallon, Richard Valorso, Bernard Aumont, Luc Vereecken, Michael E. Jenkin, and Andrew R. Rickard
Atmos. Chem. Phys., 22, 6167–6195, https://doi.org/10.5194/acp-22-6167-2022, https://doi.org/10.5194/acp-22-6167-2022, 2022
Short summary
Short summary
Alkene ozonolysis produces Criegee intermediates, which can act as oxidants or decompose to give a range of closed-shell and radical products, including OH. Therefore it is essential to accurately represent the chemistry of Criegee intermediates in atmospheric models in order to understand their impacts on atmospheric composition. Here we provide a mechanism construction protocol by which the central features of alkene ozonolysis chemistry can be included in an automatic mechanism generator.
Zhe Peng, Julia Lee-Taylor, Harald Stark, John J. Orlando, Bernard Aumont, and Jose L. Jimenez
Atmos. Chem. Phys., 21, 14649–14669, https://doi.org/10.5194/acp-21-14649-2021, https://doi.org/10.5194/acp-21-14649-2021, 2021
Short summary
Short summary
We use the fully explicit GECKO-A model to study the OH reactivity (OHR) evolution in the NO-free photooxidation of several volatile organic compounds. Oxidation progressively produces more saturated and functionalized species, then breaks them into small species. OHR per C atom evolution is similar for different precursors once saturated multifunctional species are formed. We also find that partitioning of these species to chamber walls leads to large deviations in chambers from the atmosphere.
Isaac Kwadjo Afreh, Bernard Aumont, Marie Camredon, and Kelley Claire Barsanti
Atmos. Chem. Phys., 21, 11467–11487, https://doi.org/10.5194/acp-21-11467-2021, https://doi.org/10.5194/acp-21-11467-2021, 2021
Short summary
Short summary
This is the first mechanistic modeling study of secondary organic aerosol (SOA) from the understudied monoterpene, camphene. The semi-explicit chemical model GECKO-A predicted camphene SOA yields that were ~2 times α-pinene. Using 50/50 α-pinene + limonene as a surrogate for camphene increased predicted SOA mass from biomass burning fuels by up to ~100 %. The accurate representation of camphene in air quality models can improve predictions of SOA when camphene is a dominant monoterpene.
Haijie Tong, Fobang Liu, Alexander Filippi, Jake Wilson, Andrea M. Arangio, Yun Zhang, Siyao Yue, Steven Lelieveld, Fangxia Shen, Helmi-Marja K. Keskinen, Jing Li, Haoxuan Chen, Ting Zhang, Thorsten Hoffmann, Pingqing Fu, William H. Brune, Tuukka Petäjä, Markku Kulmala, Maosheng Yao, Thomas Berkemeier, Manabu Shiraiwa, and Ulrich Pöschl
Atmos. Chem. Phys., 21, 10439–10455, https://doi.org/10.5194/acp-21-10439-2021, https://doi.org/10.5194/acp-21-10439-2021, 2021
Short summary
Short summary
We measured radical yields of aqueous PM2.5 extracts and found lower yields at higher concentrations of PM2.5. Abundances of water-soluble transition metals and aromatics in PM2.5 were positively correlated with the relative fraction of •OH but negatively correlated with the relative fraction of C-centered radicals among detected radicals. Composition-dependent reactive species yields may explain differences in the reactivity and health effects of PM2.5 in clean versus polluted air.
Tommaso Galeazzo, Richard Valorso, Ying Li, Marie Camredon, Bernard Aumont, and Manabu Shiraiwa
Atmos. Chem. Phys., 21, 10199–10213, https://doi.org/10.5194/acp-21-10199-2021, https://doi.org/10.5194/acp-21-10199-2021, 2021
Short summary
Short summary
We simulate SOA viscosity with explicit modeling of gas-phase oxidation of isoprene and α-pinene. While the viscosity dependence on relative humidity and mass loadings is captured well by simulations, the model underestimates measured viscosity, indicating missing processes. Kinetic limitations and reduction in mass accommodation may cause an increase in viscosity. The developed model is powerful for investigation of the interplay among gas reactions, chemical composition and phase state.
Gabriel Isaacman-VanWertz and Bernard Aumont
Atmos. Chem. Phys., 21, 6541–6563, https://doi.org/10.5194/acp-21-6541-2021, https://doi.org/10.5194/acp-21-6541-2021, 2021
Short summary
Short summary
There are tens of thousands of different chemical compounds in the atmosphere. To tackle this complexity, there are a wide range of different methods to estimate their physical and chemical properties. We use these methods to understand how much the detailed structure of a molecule impacts its properties, and the extent to which properties can be estimated without knowing this level of detail. We find that structure matters, but methods lacking that level of detail still perform reasonably well.
Jake Wilson, Ulrich Pöschl, Manabu Shiraiwa, and Thomas Berkemeier
Atmos. Chem. Phys., 21, 6175–6198, https://doi.org/10.5194/acp-21-6175-2021, https://doi.org/10.5194/acp-21-6175-2021, 2021
Short summary
Short summary
This work explores the gas–particle partitioning of PAHs on soot with a kinetic model. We show that the equilibration timescale depends on PAH molecular structure, temperature, and particle number concentration. We explore scenarios in which the particulate fraction is perturbed from equilibrium by chemical loss and discuss implications for chemical transport models that assume instantaneous equilibration at each model time step.
Manabu Shiraiwa and Ulrich Pöschl
Atmos. Chem. Phys., 21, 1565–1580, https://doi.org/10.5194/acp-21-1565-2021, https://doi.org/10.5194/acp-21-1565-2021, 2021
Short summary
Short summary
Mass accommodation is a crucial process in secondary organic aerosol partitioning that depends on volatility, diffusivity, reactivity, and particle penetration depth of the chemical species involved. For efficient kinetic modeling, we introduce an effective mass accommodation coefficient that accounts for the above influencing factors, can be applied in the common Fuchs–Sutugin approximation, and helps to resolve inconsistencies and shortcomings of earlier experimental and model investigations.
Sabin Kasparoglu, Ying Li, Manabu Shiraiwa, and Markus D. Petters
Atmos. Chem. Phys., 21, 1127–1141, https://doi.org/10.5194/acp-21-1127-2021, https://doi.org/10.5194/acp-21-1127-2021, 2021
Short summary
Short summary
Viscosity is important because it determines the lifetime, impact, and fate of particulate matter. We collected new data to rigorously test a framework that is used to constrain the phase state in global simulations. We find that the framework is accurate as long as appropriate compound specific inputs are available.
Megan S. Claflin, Demetrios Pagonis, Zachary Finewax, Anne V. Handschy, Douglas A. Day, Wyatt L. Brown, John T. Jayne, Douglas R. Worsnop, Jose L. Jimenez, Paul J. Ziemann, Joost de Gouw, and Brian M. Lerner
Atmos. Meas. Tech., 14, 133–152, https://doi.org/10.5194/amt-14-133-2021, https://doi.org/10.5194/amt-14-133-2021, 2021
Short summary
Short summary
We have developed a field-deployable gas chromatograph with thermal desorption preconcentration and detector switching between two high-resolution mass spectrometers for in situ measurements of volatile organic compounds (VOCs). This system combines chromatography with both proton transfer and electron ionization to offer fast time response and continuous molecular speciation. This technique was applied during the 2018 ATHLETIC campaign to characterize VOC emissions in an indoor environment.
Michael E. Jenkin, Richard Valorso, Bernard Aumont, Mike J. Newland, and Andrew R. Rickard
Atmos. Chem. Phys., 20, 12921–12937, https://doi.org/10.5194/acp-20-12921-2020, https://doi.org/10.5194/acp-20-12921-2020, 2020
Short summary
Short summary
Unsaturated organic compounds are emitted in large quantities from natural and human-influenced sources. Atmospheric removal occurs significantly by reaction with ozone, initiating reaction sequences forming free radicals and organic pollutants in the gaseous and particulate phases. Due to their very large number, it is impossible to study the reaction rate for every compound, and most have to be estimated. Updated and extended estimation methods are reported for use in atmospheric models.
Cited articles
Aimanant, S. and Ziemann, P. J.: Chemical Mechanisms of Aging of Aerosol Formed from the Reaction of n-Pentadecane with OH Radicals in the Presence of NOx, Aerosol Sci. Technol., 47, 979–990, https://doi.org/10.1080/02786826.2013.804621, 2013a.
Aimanant, S. and Ziemann, P. J.: Development of Spectrophotometric Methods for the Analysis of Functional Groups in Oxidized Organic Aerosol, Aerosol Sci. Technol., 47, 581–591, https://doi.org/10.1080/02786826.2013.773579, 2013b.
Atkinson, R., Carter, W. P. L., Winer, A. M., and Pitts, J. N.: An Experimental Protocol for the Determination of OH Radical Rate Constants with Organics Using Methyl Nitrite Photolysis as an OH Radical Source, JAPCA J. Air Waste Ma., 31, 1090–1092, https://doi.org/10.1080/00022470.1981.10465331, 1981.
Aumont, B., Szopa, S., and Madronich, S.: Modelling the evolution of organic carbon during its gas-phase tropospheric oxidation: development of an explicit model based on a self generating approach, Atmos. Chem. Phys., 5, 2497–2517, https://doi.org/10.5194/acp-5-2497-2005, 2005.
Aumont, B., Valorso, R., Mouchel-Vallon, C., Camredon, M., Lee-Taylor, J., and Madronich, S.: Modeling SOA formation from the oxidation of intermediate volatility n-alkanes, Atmos. Chem. Phys., 12, 7577–7589, https://doi.org/10.5194/acp-12-7577-2012, 2012.
Aumont, B., Camredon, M., Mouchel-Vallon, C., La, S., Ouzebidour, F., Valorso, R., Lee-Taylor, J., and Madronich, S.: Modeling the influence of alkane molecular structure on secondary organic aerosol formation, Faraday Discuss., 165, 105–122, https://doi.org/10.1039/C3FD00029J, 2013.
Baboomian, V. J., Crescenzo, G. V., Huang, Y., Mahrt, F., Shiraiwa, M., Bertram, A. K., and Nizkorodov, S. A.: Sunlight can convert atmospheric aerosols into a glassy solid state and modify their environmental impacts, P. Natl. Acad. Sci. USA, 119, e2208121119, https://doi.org/10.1073/pnas.2208121119, 2022.
Bakker-Arkema, J. G. and Ziemann, P. J.: Minimizing Errors in Measured Yields of Particle-Phase Products Formed in Environmental Chamber Reactions: Revisiting the Yields of β-Hydroxynitrates Formed from 1-Alkene + OH/NOx Reactions, ACS Earth and Space Chemistry, 5, 690–702, https://doi.org/10.1021/acsearthspacechem.1c00008, 2021.
Champion, W. M., Rothfuss, N. E., Petters, M. D., and Grieshop, A. P.: Volatility and Viscosity Are Correlated in Terpene Secondary Organic Aerosol Formed in a Flow Reactor, Environ. Sci. Tech. Lett., 6, 513–519, https://doi.org/10.1021/acs.estlett.9b00412, 2019.
de Gouw, J. A., Middlebrook, A. M., Warneke, C., Ahmadov, R., Atlas, E. L., Bahreini, R., Blake, D. R., Brock, C. A., Brioude, J., Fahey, D. W., Fehsenfeld, F. C., Holloway, J. S., Le Henaff, M., Lueb, R. A., McKeen, S. A., Meagher, J. F., Murphy, D. M., Paris, C., Parrish, D. D., Perring, A. E., Pollack, I. B., Ravishankara, A. R., Robinson, A. L., Ryerson, T. B., Schwarz, J. P., Spackman, J. R., Srinivasan, A., and Watts, L. A.: Organic Aerosol Formation Downwind from the Deepwater Horizon Oil Spill, Science, 331, 1295–1299, https://doi.org/10.1126/science.1200320, 2011.
DeRieux, W.-S. W., Li, Y., Lin, P., Laskin, J., Laskin, A., Bertram, A. K., Nizkorodov, S. A., and Shiraiwa, M.: Predicting the glass transition temperature and viscosity of secondary organic material using molecular composition, Atmos. Chem. Phys., 18, 6331–6351, https://doi.org/10.5194/acp-18-6331-2018, 2018.
Dette, H. P., Qi, M., Schröder, D. C., Godt, A., and Koop, T.: Glass-forming properties of 3-Methylbutane-1,2,3-tricarboxylic acid and its mixtures with water and pinonic acid, J. Phys. Chem. A, 118, 7024–7033, https://doi.org/10.1021/jp505910w, 2014.
Docherty, K. S., Wu, W., Lim, Y. B., and Ziemann, P. J.: Contributions of organic peroxides to secondary aerosol formed from reactions of monoterpenes with O3, Environ. Sci. Technol., 39, 4049–4059, https://doi.org/10.1021/es050228s, 2005.
Evoy, E., Maclean, A. M., Rovelli, G., Li, Y., Tsimpidi, A. P., Karydis, V. A., Kamal, S., Lelieveld, J., Shiraiwa, M., Reid, J. P., and Bertram, A. K.: Predictions of diffusion rates of large organic molecules in secondary organic aerosols using the Stokes–Einstein and fractional Stokes–Einstein relations, Atmos. Chem. Phys., 19, 10073–10085, https://doi.org/10.5194/acp-19-10073-2019, 2019.
Farmer, D. K., Matsunaga, A., Docherty, K. S., Surratt, J. D., Seinfeld, J. H., Ziemann, P. J., and Jimenez, J. L.: Response of an aerosol mass spectrometer to organonitrates and organosulfates and implications for atmospheric chemistry, P. Natl. Acad. Sci. USA, 107, 6670–6675, 2010.
Galeazzo, T.: U0M0Z/tgpipe, GitHub [code], https://github.com/U0M0Z/tgpipe, last access: 6 May 2024.
Galeazzo, T. and Shiraiwa, M.: Predicting glass transition temperature and melting point of organic compounds via machine learning and molecular embeddings, Environmental Science: Atmospheres, 2, 362–374, https://doi.org/10.1039/D1EA00090J, 2022 (code available at: https://azothai.ps.uci.edu/, last access: 6 May 2024).
Galeazzo, T., Valorso, R., Li, Y., Camredon, M., Aumont, B., and Shiraiwa, M.: Estimation of secondary organic aerosol viscosity from explicit modeling of gas-phase oxidation of isoprene and α-pinene, Atmos. Chem. Phys., 21, 10199–10213, https://doi.org/10.5194/acp-21-10199-2021, 2021.
Gentner, D. R., Isaacman, G., Worton, D. R., Chan, A. W. H., Dallmann, T. R., Davis, L., Liu, S., Day, D. A., Russell, L. M., Wilson, K. R., Weber, R., Guha, A., Harley, R. A., and Goldstein, A. H.: Elucidating secondary organic aerosol from diesel and gasoline vehicles through detailed characterization of organic carbon emissions, P. Natl. Acad. Sci. USA, 109, 18318–18323, https://doi.org/10.1073/pnas.1212272109, 2012.
Grayson, J. W., Zhang, Y., Mutzel, A., Renbaum-Wolff, L., Böge, O., Kamal, S., Herrmann, H., Martin, S. T., and Bertram, A. K.: Effect of varying experimental conditions on the viscosity of α-pinene derived secondary organic material, Atmos. Chem. Phys., 16, 6027–6040, https://doi.org/10.5194/acp-16-6027-2016, 2016.
Grayson, J. W., Evoy, E., Song, M., Chu, Y., Maclean, A., Nguyen, A., Upshur, M. A., Ebrahimi, M., Chan, C. K., Geiger, F. M., Thomson, R. J., and Bertram, A. K.: The effect of hydroxyl functional groups and molar mass on the viscosity of non-crystalline organic and organic–water particles, Atmos. Chem. Phys., 17, 8509–8524, https://doi.org/10.5194/acp-17-8509-2017, 2017.
Jain, S., Fischer, B. K., and Petrucci, A. G.: The Influence of Absolute Mass Loading of Secondary Organic Aerosols on Their Phase State, Atmosphere, 9, 131, https://doi.org/10.3390/atmos9040131, 2018.
Jenkin, M. E., Valorso, R., Aumont, B., and Rickard, A. R.: Estimation of rate coefficients and branching ratios for reactions of organic peroxy radicals for use in automated mechanism construction, Atmos. Chem. Phys., 19, 7691–7717, https://doi.org/10.5194/acp-19-7691-2019, 2019.
Jenkin, M. E., Valorso, R., Aumont, B., Rickard, A. R., and Wallington, T. J.: Estimation of rate coefficients and branching ratios for gas-phase reactions of OH with aliphatic organic compounds for use in automated mechanism construction, Atmos. Chem. Phys., 18, 9297–9328, https://doi.org/10.5194/acp-18-9297-2018, 2018a.
Jenkin, M. E., Valorso, R., Aumont, B., Rickard, A. R., and Wallington, T. J.: Estimation of rate coefficients and branching ratios for gas-phase reactions of OH with aromatic organic compounds for use in automated mechanism construction, Atmos. Chem. Phys., 18, 9329–9349, https://doi.org/10.5194/acp-18-9329-2018, 2018b.
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.
Julin, J., Winkler, P. M., Donahue, N. M., Wagner, P. E., and Riipinen, I. A.: Near unity mass accommodation coefficient of organic molecules of varying structure, Environ. Sci. Technol., 48, 12083–12089, https://doi.org/10.1021/es501816h, 2014.
Knopf, D. A. and Alpert, P. A.: Atmospheric ice nucleation, Nat. Rev. Phys., 5, 203–217, https://doi.org/10.1038/s42254-023-00570-7, 2023.
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. E., Pagonis, D., Ziemann, P. J., and Jimenez, J. L.: 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, 2016.
Kroll, J. H. and Seinfeld, J. H.: Chemistry of secondary organic aerosol: Formation and evolution of low-volatility organics in the atmosphere, Atmos. Environ., 42, 3593–3624, https://doi.org/10.1016/j.atmosenv.2008.01.003, 2008.
La, Y. S., Camredon, M., Ziemann, P. J., Valorso, R., Matsunaga, A., Lannuque, V., Lee-Taylor, J., Hodzic, A., Madronich, S., and Aumont, B.: Impact of chamber wall loss of gaseous organic compounds on secondary organic aerosol formation: explicit modeling of SOA formation from alkane and alkene oxidation, Atmos. Chem. Phys., 16, 1417–1431, https://doi.org/10.5194/acp-16-1417-2016, 2016.
Li, J. L., Li, K., Li, H., Wang, X. Z., Wang, W. G., Wang, K., and Ge, M. F.: Long-chain alkanes in the atmosphere: A review, J. Environ. Sci., 114, 37–52, https://doi.org/10.1016/j.jes.2021.07.021, 2022.
Li, Y., Day, D. A., Stark, H., Jimenez, J. L., and Shiraiwa, M.: Predictions of the glass transition temperature and viscosity of organic aerosols from volatility distributions, Atmos. Chem. Phys., 20, 8103–8122, https://doi.org/10.5194/acp-20-8103-2020, 2020.
Lim, Y. B. and Ziemann, P. J.: Chemistry of Secondary Organic Aerosol Formation from OH Radical-Initiated Reactions of Linear, Branched, and Cyclic Alkanes in the Presence of NOx, Aerosol Sci. Technol., 43, 604–619, https://doi.org/10.1080/02786820902802567, 2009a.
Lim, Y. B. and Ziemann, P. J.: Effects of Molecular Structure on Aerosol Yields from OH Radical-Initiated Reactions of Linear, Branched, and Cyclic Alkanes in the Presence of NOx, Environ. Sci. Technol., 43, 2328–2334, https://doi.org/10.1021/es803389s, 2009b.
Maclean, A. M., Smith, N. R., Li, Y., Huang, Y., Hettiyadura, A. P. S., Crescenzo, G. V., Shiraiwa, M., Laskin, A., Nizkorodov, S. A., and Bertram, A. K.: Humidity-Dependent Viscosity of Secondary Organic Aerosol from Ozonolysis of β-Caryophyllene: Measurements, Predictions, and Implications, ACS Earth and Space Chemistry, 5, 305–318, https://doi.org/10.1021/acsearthspacechem.0c00296, 2021.
Matsunaga, A. and Ziemann, P. J.: Gas-wall partitioning of organic compounds in a Teflon film chamber and potential effects on reaction product and aerosol yield measurements, Aerosol Sci. Technol., 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., 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, https://doi.org/10.1126/science.aaq0524, 2018.
Mu, Q., Shiraiwa, M., Octaviani, M., Ma, N., Ding, A., Su, H., Lammel, G., Pöschl, U., and Cheng, Y.: Temperature effect on phase state and reactivity controls atmospheric multiphase chemistry and transport of PAHs, Sci. Adv., 4, eaap7314, https://doi.org/10.1126/sciadv.aap7314, 2018.
Nannoolal, Y., Rarey, J., and Ramjugernath, D.: Estimation of pure component properties – Part 3. Estimation of the vapor pressure of non-electrolyte organic compounds via group contributions and group interactions, Fluid Phase Equilibr., 269, 117–133, https://doi.org/10.1016/j.fluid.2008.04.020, 2008.
O'Brien, R. E., Li, Y., Kiland, K. J., Katz, E. F., Or, V. W., Legaard, E., Walhout, E. Q., Thrasher, C., Grassian, V. H., DeCarlo, P. F., Bertram, A. K., and Shiraiwa, M.: Emerging investigator series: chemical and physical properties of organic mixtures on indoor surfaces during HOMEChem, Environ. Sci.-Proc. Imp., 23, 559–568, https://doi.org/10.1039/D1EM00060H, 2021.
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.
Petters, S. S., Kreidenweis, S. M., Grieshop, A. P., Ziemann, P. J., and Petters, M. D.: Temperature- and Humidity-Dependent Phase States of Secondary Organic Aerosols, Geophys. Res. Lett., 46, 1005–1013, https://doi.org/10.1029/2018GL080563, 2019.
Pöschl, U. and Shiraiwa, M.: Multiphase Chemistry at the Atmosphere–Biosphere Interface Influencing Climate and Public Health in the Anthropocene, Chem. Rev., 115, 4440–4475, https://doi.org/10.1021/cr500487s, 2015.
Praske, E., Otkjær, R. V., Crounse, J. D., Hethcox, J. C., Stoltz, B. M., Kjaergaard, H. G., and Wennberg, P. O.: Atmospheric autoxidation is increasingly important in urban and suburban North America, P. Natl. Acad. Sci. USA, 115, 64–69, https://doi.org/10.1073/pnas.1715540115, 2018.
Presto, A. A., Miracolo, M. A., Donahue, N. M., and Robinson, A. L.: Secondary organic aerosol formation from high-NOx photo-oxidation of low volatility precursors: n-alkanes, Environ. Sci. Technol., 44, 2029–2034, https://doi.org/10.1021/es903712r, 2010.
Pye, H. O. T., D'Ambro, E. L., Lee, B. H., Schobesberger, S., Takeuchi, M., Zhao, Y., Lopez-Hilfiker, F., Liu, J., Shilling, J. E., Xing, J., Mathur, R., Middlebrook, A. M., Liao, J., Welti, A., Graus, M., Warneke, C., de Gouw, J. A., Holloway, J. S., Ryerson, T. B., Pollack, I. B., and Thornton, J. A.: Anthropogenic enhancements to production of highly oxygenated molecules from autoxidation, P. Natl. Acad. Sci. USA, 116, 6641, https://doi.org/10.1073/pnas.1810774116, 2019.
Ranney, A. P., Longnecker, E. R., Ziola, A. C., and Ziemann, P. J.: Measured and Modeled Secondary Organic Aerosol Products and Yields from the Reaction of n-Hexadecane + OH/NOx, ACS Earth and Space Chemistry, 7, 2298–2310, https://doi.org/10.1021/acsearthspacechem.3c00227, 2023.
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, 956, https://doi.org/10.1038/s41467-018-03027-z, 2018.
Renbaum-Wolff, L., Grayson, J. W., Bateman, A. P., Kuwata, K., Sellier, M., Murray, B. J., Schilling, J. E., Martin, S. T., and Bertram, A. K.: Viscosity of α-pinene secondary organic material and implications for particle growth and reactivity, P. Natl. Acad. Sci. USA, 110, 8014–8019, https://doi.org/10.1073/pnas.1219548110, 2013.
Robinson, A. L., Donahue, N. M., Shrivastava, M. K., Weitkamp, E. A., Sage, A. M., Grieshop, A. P., Lane, T. E., Pierce, J. R., and Pandis, S. N.: Rethinking organic aerosols: Semivolatile emissions and photochemical aging, Science, 315, 1259–1262, https://doi.org/10.1126/science.1133061, 2007.
Rothfuss, N. E. and Petters, M. D.: Influence of Functional Groups on the Viscosity of Organic Aerosol, Environ. Sci. Technol., 51, 271–279, https://doi.org/10.1021/acs.est.6b04478, 2017.
Saukko, E., Lambe, A. T., Massoli, P., Koop, T., Wright, J. P., Croasdale, D. R., Pedernera, D. A., Onasch, T. B., Laaksonen, A., Davidovits, P., Worsnop, D. R., and Virtanen, A.: Humidity-dependent phase state of SOA particles from biogenic and anthropogenic precursors, Atmos. Chem. Phys., 12, 7517–7529, https://doi.org/10.5194/acp-12-7517-2012, 2012.
Schervish, M. and Shiraiwa, M.: Impact of phase state and non-ideal mixing on equilibration timescales of secondary organic aerosol partitioning, Atmos. Chem. Phys., 23, 221–233, https://doi.org/10.5194/acp-23-221-2023, 2023.
Seinfeld, J. H. and Pandis, S. N.: Atmospheric chemistry and physics: from air pollution to climate change, John Wiley & Sons, ISBN 978-1-118-94740-1, 2016.
Shiraiwa, M. and Pöschl, U.: Mass accommodation and gas–particle partitioning in secondary organic aerosols: dependence on diffusivity, volatility, particle-phase reactions, and penetration depth, Atmos. Chem. Phys., 21, 1565–1580, https://doi.org/10.5194/acp-21-1565-2021, 2021.
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, https://doi.org/10.1073/pnas.1103045108, 2011.
Shiraiwa, M., Berkemeier, T., Schilling-Fahnestock, K. A., Seinfeld, J. H., and Pöschl, U.: Molecular corridors and kinetic regimes in the multiphase chemical evolution of secondary organic aerosol, Atmos. Chem. Phys., 14, 8323–8341, https://doi.org/10.5194/acp-14-8323-2014, 2014.
Shiraiwa, M., Yee, L. D., Schilling, K. A., Loza, C. L., Craven, J. S., Zuend, A., Ziemann, P. J., and Seinfeld, J. H.: Size distribution dynamics reveal particle-phase chemistry in organic aerosol formation, P. Natl. Acad. Sci. USA, 110, 11746–11750, https://doi.org/10.1073/pnas.1307501110, 2013.
Shiraiwa, M., Li, Y., Tsimpidi, A. P., Karydis, V. A., Berkemeier, T., Pandis, S. N., Lelieveld, J., Koop, T., and Pöschl, U.: Global distribution of particle phase state in atmospheric secondary organic aerosols, Nat. Commun., 8, 15002, https://doi.org/10.1038/ncomms15002, 2017.
Shrivastava, M., Lou, S., Zelenyuk, A., Easter, R. C., Corley, R. A., Thrall, B. D., Rasch, P. J., Fast, J. D., Massey Simonich, S. L., Shen, H., and Tao, S.: Global long-range transport and lung cancer risk from polycyclic aromatic hydrocarbons shielded by coatings of organic aerosol, P. Natl. Acad. Sci. USA, 114, 1246–1251, 2017.
Smith, N. R., Crescenzo, G. V., Huang, Y., Hettiyadura, A. P. S., Siemens, K., Li, Y., Faiola, C. L., Laskin, A., Shiraiwa, M., Bertram, A. K., and Nizkorodov, S. A.: Viscosity and liquid–liquid phase separation in healthy and stressed plant SOA, Environmental Science: Atmospheres, 1, 140–153, https://doi.org/10.1039/D0EA00020E, 2021.
Song, M., Maclean, A. M., Huang, Y., Smith, N. R., Blair, S. L., Laskin, J., Laskin, A., DeRieux, W.-S. W., Li, Y., Shiraiwa, M., Nizkorodov, S. A., and Bertram, A. K.: Liquid–liquid phase separation and viscosity within secondary organic aerosol generated from diesel fuel vapors, Atmos. Chem. Phys., 19, 12515–12529, https://doi.org/10.5194/acp-19-12515-2019, 2019.
Srivastava, D., Vu, T. V., Tong, S., Shi, Z., and Harrison, R. M.: Formation of secondary organic aerosols from anthropogenic precursors in laboratory studies, npj Climate and Atmospheric Science, 5, 22, https://doi.org/10.1038/s41612-022-00238-6, 2022.
Tobias, H. J., Kooiman, P. M., Docherty, K. S., and Ziemann, P. J.: Real-Time Chemical Analysis of Organic Aerosols Using a Thermal Desorption Particle Beam Mass Spectrometer, Aerosol Sci. Technol., 33, 170–190, https://doi.org/10.1080/027868200410912, 2000.
Valorso, R., Aumont, B., Camredon, M., Raventos-Duran, T., Mouchel-Vallon, C., Ng, N. L., Seinfeld, J. H., Lee-Taylor, J., and Madronich, S.: Explicit modelling of SOA formation from α-pinene photooxidation: sensitivity to vapour pressure estimation, Atmos. Chem. Phys., 11, 6895–6910, https://doi.org/10.5194/acp-11-6895-2011, 2011.
Vereecken, L. and Peeters, J.: Decomposition of substituted alkoxy radicals–part I: a generalized structure–activity relationship for reaction barrier heights, Phys. Chem. Chem. Phys., 11, 9062–9074, 2009.
Verwer, J. G.: Gauss–Seidel iteration for stiff ODEs from chemical kinetics, SIAM J. Sci. Comput., 15, 1243–1250, 1994.
Verwer, J. G., Blom, J. G., and Hundsdorfer, W.: An implicit-explicit approach for atmospheric transport-chemistry problems, Appl. Numer. Math., 20, 191–209, 1996.
Virtanen, A., Joutsensaari, J., Koop, T., Kannosto, J., YliPirilä, P., Leskinen, J., Mäkelä, J. M., Holopainen, J. K., Pöschl, U., Kulmala, M., Worsnop, D. R., and Laaksonen, A.: An amorphous solid state of biogenic secondary organic aerosol particles, Nature, 467, 824–827, https://doi.org/10.1038/nature09455, 2010.
Ye, Q., Robinson, E. S., Ding, X., Ye, P., Sullivan, R. C., and Donahue, N. M.: Mixing of secondary organic aerosols versus relative humidity, P. Natl. Acad. Sci. USA, 113, 12649–12654, 2016.
Zaveri, R. A., Wang, J., Fan, J., Zhang, Y., Shilling John, E., Zelenyuk, A., Mei, F., Newsom, R., Pekour, M., Tomlinson, J., Comstock Jennifer, M., Shrivastava, M., Fortner, E., Machado Luiz, A. T., Artaxo, P., and Martin Scot, T.: Rapid growth of anthropogenic organic nanoparticles greatly alters cloud life cycle in the Amazon rainforest, Sci. Adv., 8, eabj0329, https://doi.org/10.1126/sciadv.abj0329, 2022.
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, 2014.
Zhang, Y., Chen, Y., Lambe, A. T., Olson, N. E., Lei, Z., Craig, R. L., Zhang, Z., Gold, A., Onasch, T. B., Jayne, J. T., Worsnop, D. R., Gaston, C. J., Thornton, J. A., Vizuete, W., Ault, A. P., and Surratt, J. D.: Effect of the Aerosol-Phase State on Secondary Organic Aerosol Formation from the Reactive Uptake of Isoprene-Derived Epoxydiols (IEPOX), Environ. Sci. Tech. Lett., 5, 167–174, https://doi.org/10.1021/acs.estlett.8b00044, 2018.
Zhang, Y., Nichman, L., Spencer, P., Jung, J. I., Lee, A., Heffernan, B. K., Gold, A., Zhang, Z., Chen, Y., Canagaratna, M. R., Jayne, J. T., Worsnop, D. R., Onasch, T. B., Surratt, J. D., Chandler, D., Davidovits, P., and Kolb, C. E.: The Cooling Rate- and Volatility-Dependent Glass-Forming Properties of Organic Aerosols Measured by Broadband Dielectric Spectroscopy, Environ. Sci. Technol., 53, 12366–12378, https://doi.org/10.1021/acs.est.9b03317, 2019.
Zhao, B., Wang, S., Donahue, N. M., Jathar, S. H., Huang, X., Wu, W., Hao, J., and Robinson, A. L.: Quantifying the effect of organic aerosol aging and intermediate-volatility emissions on regional-scale aerosol pollution in China, Sci. Rep., 6, 28815, https://doi.org/10.1038/srep28815, 2016.
Zhou, S., Hwang, B. C. H., Lakey, P. S. J., Zuend, A., Abbatt, J. P. D., and Shiraiwa, M.: Multiphase reactivity of polycyclic aromatic hydrocarbons is driven by phase separation and diffusion limitations, P. Natl. Acad. Sci. USA, 116, 11658–11663, https://doi.org/10.1073/pnas.1902517116, 2019.
Ziemann, P. J. and Atkinson, R.: Kinetics, products, and mechanisms of secondary organic aerosol formation, Chem. Soc. Rev., 41, 6582–6605, 2012.
Zobrist, B., Marcolli, C., Pedernera, D. A., and Koop, T.: Do atmospheric aerosols form glasses?, Atmos. Chem. Phys., 8, 5221–5244, https://doi.org/10.5194/acp-8-5221-2008, 2008.
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.
Secondary organic aerosol (SOA) derived from n-alkanes is a major component of anthropogenic...
Altmetrics
Final-revised paper
Preprint