Articles | Volume 22, issue 2
https://doi.org/10.5194/acp-22-973-2022
© 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-22-973-2022
© Author(s) 2022. This work is distributed under
the Creative Commons Attribution 4.0 License.
the Creative Commons Attribution 4.0 License.
Research article
| 
21 Jan 2022
Research article |
| 21 Jan 2022
| 21 Jan 2022
Extension of the AIOMFAC model by iodine and carbonate species: applications for aerosol acidity and cloud droplet activation
Department of Atmospheric and Oceanic Sciences, McGill University, Montréal, Quebec, Canada
Institute for Atmospheric and Climate Science, ETH Zurich, Zurich, Switzerland
Liviana Klein
Institute for Atmospheric and Climate Science, ETH Zurich, Zurich, Switzerland
Ulrich K. Krieger
Institute for Atmospheric and Climate Science, ETH Zurich, Zurich, Switzerland
Alison Bain
Department of Chemistry, McGill University, Montréal, Quebec, Canada
Brandon J. Wallace
Department of Chemistry, McGill University, Montréal, Quebec, Canada
Thomas C. Preston
Department of Atmospheric and Oceanic Sciences, McGill University, Montréal, Quebec, Canada
Department of Chemistry, McGill University, Montréal, Quebec, Canada
Department of Atmospheric and Oceanic Sciences, McGill University, Montréal, Quebec, Canada
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Camilo Serrano Damha, Kyle Gorkowski, and Andreas Zuend
Atmos. Chem. Phys., 25, 5773–5792, https://doi.org/10.5194/acp-25-5773-2025, https://doi.org/10.5194/acp-25-5773-2025, 2025
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We implemented the BAT-VBS (Binary Activity Thermodynamics volatility basis set) aerosol thermodynamics model in the GEOS-Chem chemical transport model to efficiently account for organic aerosol water uptake, nonideal mixing, and impacts on the gas–particle partitioning of semi-volatile organics. Compared to GEOS-Chem's complex (dry) scheme, we show that the BAT-VBS model can predict substantial enhancements in organic aerosol mass concentration at moderate-to-high relative humidity.
Alison Bain, Kunal Ghosh, Konstantin Tumashevich, Nønne L. Prisle, and Bryan R. Bzdek
Atmos. Chem. Phys., 25, 5633–5645, https://doi.org/10.5194/acp-25-5633-2025, https://doi.org/10.5194/acp-25-5633-2025, 2025
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We measure the surface tension of picoliter-volume droplets containing strong ionic surfactants and cosolutes and compare this to surface tension predictions using two independent surfactant partitioning models. Under high-water-activity conditions, experimental measurements and model predictions show no change when NaCl cosolute is replaced with sea salt. Model predictions show that total surfactant concentrations in the range of tens to hundreds of millimolar are required to lower the surface tension of accumulation-mode aerosol.
Vahid Shahabadi, Cassandra Lefort, Hoi Tang Law, Man Nin Chan, and Thomas C. Preston
EGUsphere, https://doi.org/10.5194/egusphere-2025-2170, https://doi.org/10.5194/egusphere-2025-2170, 2025
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This research explores how organosulfate surfactants affect aerosol particles and their response to changes in relative humidity in the atmosphere. Using optical trapping and strong electric fields to investigate single particles, it is found that these surfactants can significantly lower surface tension, even in very small amounts. These findings are important for understanding how such particles influence cloud formation and properties like brightness.
Marcel Müller, Marcel Reichmuth, and Ulrich Karl Krieger
EGUsphere, https://doi.org/10.5194/egusphere-2025-1238, https://doi.org/10.5194/egusphere-2025-1238, 2025
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The initiation of autoxidation by ozonolysis was investigated on levitated linoleic acid droplets using electrodynamic balance–mass spectrometry. Exposing the droplets to ozone for one hour before switching the gas phase to air without ozone led to a shortening of the autoxidation initiation phase in comparison to experiments without ozone exposure. Results were compared to a bulk reaction model to investigate the synergistic effects of ozonolysis and autoxidation.
Ryan Schmedding and Andreas Zuend
Atmos. Chem. Phys., 25, 327–346, https://doi.org/10.5194/acp-25-327-2025, https://doi.org/10.5194/acp-25-327-2025, 2025
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Four different approaches for computing the interfacial tension between liquid phases in aerosol particles were tested for particles with diameters from 10 nm to more than 5 μm. Antonov's rule led to the strongest reductions in the onset relative humidity of liquid–liquid phase separation and reproduced measured interfacial tensions for highly immiscible systems. A modified form of the Butler equation was able to best reproduce measured interfacial tensions in more miscible systems.
Liviana K. Klein, Allan K. Bertram, Andreas Zuend, Florence Gregson, and Ulrich K. Krieger
Atmos. Chem. Phys., 24, 13341–13359, https://doi.org/10.5194/acp-24-13341-2024, https://doi.org/10.5194/acp-24-13341-2024, 2024
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The viscosity of ammonium nitrate–sucrose–H2O was quantified with three methods ranging from liquid to solid state depending on the relative humidity. Moreover, the corresponding estimated internal aerosol mixing times remained below 1 h for most tropospheric conditions, making equilibrium partitioning a reasonable assumption.
Xiangyu Pei, Yikan Meng, Yueling Chen, Huichao Liu, Yao Song, Zhengning Xu, Fei Zhang, Thomas C. Preston, and Zhibin Wang
Atmos. Chem. Phys., 24, 5235–5246, https://doi.org/10.5194/acp-24-5235-2024, https://doi.org/10.5194/acp-24-5235-2024, 2024
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An aerosol optical tweezer (AOT) Raman spectroscopy system is developed to capture a single aerosol droplet for phase transition monitoring and morphology studies. Rapid droplet capture is achieved and accurate droplet size and refractive index are retrieved. Results indicate that mixed inorganic/organic droplets are more inclined to form core–shell morphology when RH decreases. The phase transitions of secondary mixed organic aerosol/inorganic droplets vary with their precursors.
Yueling Chen, Xiangyu Pei, Huichao Liu, Yikan Meng, Zhengning Xu, Fei Zhang, Chun Xiong, Thomas C. Preston, and Zhibin Wang
Atmos. Chem. Phys., 23, 10255–10265, https://doi.org/10.5194/acp-23-10255-2023, https://doi.org/10.5194/acp-23-10255-2023, 2023
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The impact of acidity on the phase transition behavior of levitated aerosol particles was examined. Our results revealed that lower acidity decreases the separation relative humidity of aerosol droplets mixed with ammonium sulfate and secondary organic aerosol proxy. Our research suggests that in real atmospheric conditions, with the high acidity found in many ambient aerosol particles, droplets encounter heightened impediments to phase separation and tend to display a homogeneous structure.
Ryan Schmedding and Andreas Zuend
Atmos. Chem. Phys., 23, 7741–7765, https://doi.org/10.5194/acp-23-7741-2023, https://doi.org/10.5194/acp-23-7741-2023, 2023
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Aerosol particles below 100 nm in diameter have high surface-area-to-volume ratios. The enrichment of compounds in the surface of an aerosol particle may lead to depletion of that species in the interior bulk of the particle. We present a framework for modeling the equilibrium bulk–surface partitioning of mixed organic–inorganic particles, including cases of co-condensation of semivolatile organic compounds and species with extremely limited solubility in the bulk or surface of a particle.
Thomas Berkemeier, Matteo Krüger, Aryeh Feinberg, Marcel Müller, Ulrich Pöschl, and Ulrich K. Krieger
Geosci. Model Dev., 16, 2037–2054, https://doi.org/10.5194/gmd-16-2037-2023, https://doi.org/10.5194/gmd-16-2037-2023, 2023
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Kinetic multi-layer models (KMs) successfully describe heterogeneous and multiphase atmospheric chemistry. In applications requiring repeated execution, however, these models can be too expensive. We trained machine learning surrogate models on output of the model KM-SUB and achieved high correlations. The surrogate models run orders of magnitude faster, which suggests potential applicability in global optimization tasks and as sub-modules in large-scale atmospheric models.
Rani Jeong, Joseph Lilek, Andreas Zuend, Rongshuang Xu, Man Nin Chan, Dohyun Kim, Hi Gyu Moon, and Mijung Song
Atmos. Chem. Phys., 22, 8805–8817, https://doi.org/10.5194/acp-22-8805-2022, https://doi.org/10.5194/acp-22-8805-2022, 2022
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In this study, the viscosities of particles of sucrose–H2O, AS–H2O, and sucrose–AS–H2O for OIRs of 4:1, 1:1, and 1:4 for decreasing RH, were quantified by poke-and-flow and bead-mobility techniques at 293 ± 1 K. Based on the viscosity results, the particles of binary and ternary systems ranged from liquid to semisolid, and even the solid state depending on the RH. Moreover, we compared the measured viscosities of ternary systems to the predicted viscosities with excellent agreement.
Joseph Lilek and Andreas Zuend
Atmos. Chem. Phys., 22, 3203–3233, https://doi.org/10.5194/acp-22-3203-2022, https://doi.org/10.5194/acp-22-3203-2022, 2022
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Depending on temperature and chemical makeup, certain aerosols can be highly viscous or glassy, with atmospheric implications. We have therefore implemented two major upgrades to the predictive viscosity model AIOMFAC-VISC. First, we created a new viscosity model for aqueous electrolyte solutions containing an arbitrary number of ion species. Second, we integrated the electrolyte model within the existing AIOMFAC-VISC framework to enable viscosity predictions for organic–inorganic mixtures.
Dalrin Ampritta Amaladhasan, Claudia Heyn, Christopher R. Hoyle, Imad El Haddad, Miriam Elser, Simone M. Pieber, Jay G. Slowik, Antonio Amorim, Jonathan Duplissy, Sebastian Ehrhart, Vladimir Makhmutov, Ugo Molteni, Matti Rissanen, Yuri Stozhkov, Robert Wagner, Armin Hansel, Jasper Kirkby, Neil M. Donahue, Rainer Volkamer, Urs Baltensperger, Martin Gysel-Beer, and Andreas Zuend
Atmos. Chem. Phys., 22, 215–244, https://doi.org/10.5194/acp-22-215-2022, https://doi.org/10.5194/acp-22-215-2022, 2022
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We use a combination of models for gas-phase chemical reactions and equilibrium gas–particle partitioning of isoprene-derived secondary organic aerosols (SOAs) informed by dark ozonolysis experiments conducted in the CLOUD chamber. Our predictions cover high to low relative humidities (RHs) and quantify how SOA mass yields are enhanced at high RH as well as the impact of inorganic seeds of distinct hygroscopicities and acidities on the coupled partitioning of water and semi-volatile organics.
Young-Chul Song, Joseph Lilek, Jae Bong Lee, Man Nin Chan, Zhijun Wu, Andreas Zuend, and Mijung Song
Atmos. Chem. Phys., 21, 10215–10228, https://doi.org/10.5194/acp-21-10215-2021, https://doi.org/10.5194/acp-21-10215-2021, 2021
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We report viscosity of binary mixtures of organic material / H2O and inorganic salts / H2O, as well as ternary mixtures of organic material / inorganic salts/ H2O, over the atmospheric relative humidity (RH) range. The viscosity measurements indicate that the studied mixed organic–inorganic particles range in phase state from liquid to semi-solid or even solid across the atmospheric RH range at a temperature of 293 K.
Weigang Wang, Ting Lei, Andreas Zuend, Hang Su, Yafang Cheng, Yajun Shi, Maofa Ge, and Mingyuan Liu
Atmos. Chem. Phys., 21, 2179–2190, https://doi.org/10.5194/acp-21-2179-2021, https://doi.org/10.5194/acp-21-2179-2021, 2021
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Aerosol mixing state regulates the interactions between water molecules and particles and thus controls aerosol activation and hygroscopic growth, which thereby influences visibility degradation, cloud formation, and its radiative forcing. However, there are few studies attempting to investigate their interactions with water molecules. Here, we investigated the effect of organic coatings on the hygroscopic behavior of the inorganic core.
Hoi Ki Lam, Rongshuang Xu, Jack Choczynski, James F. Davies, Dongwan Ham, Mijung Song, Andreas Zuend, Wentao Li, Ying-Lung Steve Tse, and Man Nin Chan
Atmos. Chem. Phys., 21, 2053–2066, https://doi.org/10.5194/acp-21-2053-2021, https://doi.org/10.5194/acp-21-2053-2021, 2021
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This work demonstrates that organic compounds present at or near the surface of aerosols can be subjected to oxidation initiated by gas-phase oxidants, such as hydroxyl radicals (OH). The heterogeneous reactivity is sensitive to their surface concentrations, which are determined by the phase separation behavior. This results of this work emphasize the effects of phase separation and potentially distinct aerosol morphologies on the chemical transformation of atmospheric aerosols.
Jing Dou, Peter A. Alpert, Pablo Corral Arroyo, Beiping Luo, Frederic Schneider, Jacinta Xto, Thomas Huthwelker, Camelia N. Borca, Katja D. Henzler, Jörg Raabe, Benjamin Watts, Hartmut Herrmann, Thomas Peter, Markus Ammann, and Ulrich K. Krieger
Atmos. Chem. Phys., 21, 315–338, https://doi.org/10.5194/acp-21-315-2021, https://doi.org/10.5194/acp-21-315-2021, 2021
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Photochemistry of iron(III) complexes plays an important role in aerosol aging, especially in the lower troposphere. Ensuing radical chemistry leads to decarboxylation, and the production of peroxides, and oxygenated volatile compounds, resulting in particle mass loss due to release of the volatile products to the gas phase. We investigated kinetic transport limitations due to high particle viscosity under low relative humidity conditions. For quantification a numerical model was developed.
Petroc D. Shelley, Thomas J. Bannan, Stephen D. Worrall, M. Rami Alfarra, Ulrich K. Krieger, Carl J. Percival, Arthur Garforth, and David Topping
Atmos. Chem. Phys., 20, 8293–8314, https://doi.org/10.5194/acp-20-8293-2020, https://doi.org/10.5194/acp-20-8293-2020, 2020
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The methods used to estimate the vapour pressures of compounds in the atmosphere typically perform poorly when applied to organic compounds found in the atmosphere. New measurements have been made and compared to previous experimental data and estimated values so that the limitations within the estimation methods can be identified and in the future be rectified.
Nir Bluvshtein, Ulrich K. Krieger, and Thomas Peter
Atmos. Meas. Tech., 13, 3191–3203, https://doi.org/10.5194/amt-13-3191-2020, https://doi.org/10.5194/amt-13-3191-2020, 2020
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Light-absorbing organic particles undergo transformations during their exposure in the atmosphere. The role these particles play in the global radiative balance is uncertain. This study describes high-sensitivity and high-precision measurements of light absorption by a single particle levitated in an electrodynamic balance. This high level of sensitivity enables future studies to explore the major processes responsible for changes to the particle's light absorptivity.
Havala O. T. Pye, Athanasios Nenes, Becky Alexander, Andrew P. Ault, Mary C. Barth, Simon L. Clegg, Jeffrey L. Collett Jr., Kathleen M. Fahey, Christopher J. Hennigan, Hartmut Herrmann, Maria Kanakidou, James T. Kelly, I-Ting Ku, V. Faye McNeill, Nicole Riemer, Thomas Schaefer, Guoliang Shi, Andreas Tilgner, John T. Walker, Tao Wang, Rodney Weber, Jia Xing, Rahul A. Zaveri, and Andreas Zuend
Atmos. Chem. Phys., 20, 4809–4888, https://doi.org/10.5194/acp-20-4809-2020, https://doi.org/10.5194/acp-20-4809-2020, 2020
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Acid rain is recognized for its impacts on human health and ecosystems, and programs to mitigate these effects have had implications for atmospheric acidity. Historical measurements indicate that cloud and fog droplet acidity has changed in recent decades in response to controls on emissions from human activity, while the limited trend data for suspended particles indicate acidity may be relatively constant. This review synthesizes knowledge on the acidity of atmospheric particles and clouds.
Natalie R. Gervasi, David O. Topping, and Andreas Zuend
Atmos. Chem. Phys., 20, 2987–3008, https://doi.org/10.5194/acp-20-2987-2020, https://doi.org/10.5194/acp-20-2987-2020, 2020
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Organic aerosols have been shown to exist often in a semi-solid or amorphous, glassy state. Highly viscous particles behave differently than their well-mixed liquid analogues with consequences for a variety of aerosol processes. Here, we introduce a new predictive mixture viscosity model called AIOMFAC-VISC. It enables us to predict the viscosity of aqueous organic mixtures as a function of temperature and chemical composition, covering the full range of liquid, semi-solid, and glassy states.
Kyle Gorkowski, Thomas C. Preston, and Andreas Zuend
Atmos. Chem. Phys., 19, 13383–13407, https://doi.org/10.5194/acp-19-13383-2019, https://doi.org/10.5194/acp-19-13383-2019, 2019
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We present the new Binary Activity Thermodynamics (BAT) model, which is a water-sensitive reduced-complexity organic aerosol thermodynamics model. It can use bulk properties like O : C, molar mass, and RH to predict organic activity coefficients and water uptake behavior. We show applications in RH-dependent organic co-condensation, liquid–liquid phase separation, and Kohler curve predictions, and we validate the BAT model against laboratory measurements.
Hoi Ki Lam, Sze Man Shum, James F. Davies, Mijung Song, Andreas Zuend, and Man Nin Chan
Atmos. Chem. Phys., 19, 9581–9593, https://doi.org/10.5194/acp-19-9581-2019, https://doi.org/10.5194/acp-19-9581-2019, 2019
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We show the presence of dissolved inorganic salts could reduce the overall heterogeneous reactivity of organic compounds with gas–phase OH radicals at the surface by lowering the surface concentration of organic compounds. Until recently, the kinetic parameters reported in the literature were mostly measured based on experiments with pure organic particles. The lifetime of organic compounds or chemical tracers against heterogeneous OH reaction in the atmosphere could be longer than expected.
James F. Davies, Andreas Zuend, and Kevin R. Wilson
Atmos. Chem. Phys., 19, 2933–2946, https://doi.org/10.5194/acp-19-2933-2019, https://doi.org/10.5194/acp-19-2933-2019, 2019
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The formation of cloud droplets involves the condensation of water onto preexisting particles in the atmosphere. The efficiency of this process depends on the nature of the particles, and recent work has shown that organic-rich particles may exhibit a suppressed surface tension that promotes the formation of cloud droplets. In this technical note, we discuss the mechanism for this and highlight the evolution of surface tension as the key factor in the extent of surface effects.
Thomas J. Bannan, Michael Le Breton, Michael Priestley, Stephen D. Worrall, Asan Bacak, Nicholas A. Marsden, Archit Mehra, Julia Hammes, Mattias Hallquist, M. Rami Alfarra, Ulrich K. Krieger, Jonathan P. Reid, John Jayne, Wade Robinson, Gordon McFiggans, Hugh Coe, Carl J. Percival, and Dave Topping
Atmos. Meas. Tech., 12, 1429–1439, https://doi.org/10.5194/amt-12-1429-2019, https://doi.org/10.5194/amt-12-1429-2019, 2019
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The Filter Inlet for Gases and AEROsols (FIGAERO) is an inlet designed to be coupled with a high-resolution time-of-flight chemical ionization mass spectrometer (HR-ToF-CIMS) and provides simultaneous molecular information relating to both the gas- and particle-phase samples. This method has been used to extract vapour pressures of compounds whilst giving quantitative concentrations in the particle phase. Here we detail an ideal set of benchmark compounds for characterization of the FIGAERO.
Mehrnoush M. Fard, Ulrich K. Krieger, and Thomas Peter
Atmos. Chem. Phys., 18, 13511–13530, https://doi.org/10.5194/acp-18-13511-2018, https://doi.org/10.5194/acp-18-13511-2018, 2018
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Atmospheric aerosol particles may undergo liquid–liquid phase separation (LLPS) when exposed to varying relative humidity, with an aqueous organic phase enclosing an aqueous inorganic phase below a threshold of relative humidity. Brown carbon (BrC) compounds will redistribute to the organic phase upon LLPS. We use numerical modeling to study the shortwave radiative impact of LLPS containing BrC and conclude that it is not significant for atmospheric aerosol.
Ting Lei, Andreas Zuend, Yafang Cheng, Hang Su, Weigang Wang, and Maofa Ge
Atmos. Chem. Phys., 18, 1045–1064, https://doi.org/10.5194/acp-18-1045-2018, https://doi.org/10.5194/acp-18-1045-2018, 2018
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Measurements and thermodynamic equilibrium predictions for organic–inorganic aerosols related to components from biomass burning emissions demonstrate a diversity of hygroscopic growth and shrinking behavior, which we observed using a hygroscopicity tandem differential mobility analyzer (HTDMA). Controlled laboratory experiments with single solutes and/or with mixed organic–inorganic systems of known phase state will be useful to constrain model parameters of thermodynamic equilibrium models.
Havala O. T. Pye, Andreas Zuend, Juliane L. Fry, Gabriel Isaacman-VanWertz, Shannon L. Capps, K. Wyat Appel, Hosein Foroutan, Lu Xu, Nga L. Ng, and Allen H. Goldstein
Atmos. Chem. Phys., 18, 357–370, https://doi.org/10.5194/acp-18-357-2018, https://doi.org/10.5194/acp-18-357-2018, 2018
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Thermodynamic modeling revealed that some but not all measurements of ammonium-to-sulfate ratios are consistent with theory. The measurement diversity likely explains the previously reported range of results regarding the suitability of thermodynamic modeling. Despite particles being predominantly phase separated, organic–inorganic interactions resulted in increased aerosol pH and partitioning towards the particle phase for highly oxygenated organic compounds compared to traditional methods.
Ulrich K. Krieger, Franziska Siegrist, Claudia Marcolli, Eva U. Emanuelsson, Freya M. Gøbel, Merete Bilde, Aleksandra Marsh, Jonathan P. Reid, Andrew J. Huisman, Ilona Riipinen, Noora Hyttinen, Nanna Myllys, Theo Kurtén, Thomas Bannan, Carl J. Percival, and David Topping
Atmos. Meas. Tech., 11, 49–63, https://doi.org/10.5194/amt-11-49-2018, https://doi.org/10.5194/amt-11-49-2018, 2018
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Vapor pressures of low-volatility organic molecules at atmospheric temperatures reported in the literature often differ by several orders of magnitude between measurement techniques. These discrepancies exceed the stated uncertainty of each technique, which is generally reported to be smaller than a factor of 2. We determined saturation vapor pressures for the homologous series of polyethylene glycols ranging in vapor pressure at 298 K from 1E−7 Pa to 5E−2 Pa as a reference set.
Adam W. Birdsall, Ulrich K. Krieger, and Frank N. Keutsch
Atmos. Meas. Tech., 11, 33–47, https://doi.org/10.5194/amt-11-33-2018, https://doi.org/10.5194/amt-11-33-2018, 2018
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We have developed a laboratory system that provides mass spectra of individual particles, roughly 20 microns in diameter, after they have been levitated in an electric field. Measured evaporation of polyethylene glycol particles was found to agree with a kinetic model. The system can be used to study fundamental chemical and physical processes involving particles that are difficult to isolate and study with other techniques, and hence improve our understanding of atmospheric particles.
Man Mei Chim, Chiu Tung Cheng, James F. Davies, Thomas Berkemeier, Manabu Shiraiwa, Andreas Zuend, and Man Nin Chan
Atmos. Chem. Phys., 17, 14415–14431, https://doi.org/10.5194/acp-17-14415-2017, https://doi.org/10.5194/acp-17-14415-2017, 2017
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In this work, we report that methyl-substituted succinic acid present at or near the surface of aqueous organic droplets can be efficiently oxidized by gas-phase OH radicals. The alkoxy radical chemistry appears to be an important reaction pathway. In addition, our model simulations reveal the relative importance of functionalization and fragmentation processes, alongside volatilization, in the evolution of the particle-phase reaction, which is largely dependent on the extent of oxidation.
Sandra Bastelberger, Ulrich K. Krieger, Beiping Luo, and Thomas Peter
Atmos. Chem. Phys., 17, 8453–8471, https://doi.org/10.5194/acp-17-8453-2017, https://doi.org/10.5194/acp-17-8453-2017, 2017
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We present quantitative condensed-phase diffusivity measurements of a volatile organic (tetraethylene glycol) in highly viscous single aerosol particles (aqueous sucrose). The condensed-phase diffusivity exhibits a strong temperature and humidity dependence. Our results suggest that diffusion limitations of volatile organics in highly viscous organic aerosol may severely impact gas–particle partitioning under cold and dry conditions.
Thomas Berkemeier, Markus Ammann, Ulrich K. Krieger, Thomas Peter, Peter Spichtinger, Ulrich Pöschl, Manabu Shiraiwa, and Andrew J. Huisman
Atmos. Chem. Phys., 17, 8021–8029, https://doi.org/10.5194/acp-17-8021-2017, https://doi.org/10.5194/acp-17-8021-2017, 2017
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Kinetic process models are efficient tools used to unravel the mechanisms governing chemical and physical transformation in multiphase atmospheric chemistry. However, determination of kinetic parameters such as reaction rate or diffusion coefficients from multiple data sets is often difficult or ambiguous. This study presents a novel optimization algorithm and framework to determine these parameters in an automated fashion and to gain information about parameter uncertainty and uniqueness.
Natasha Hodas, Andreas Zuend, Katherine Schilling, Thomas Berkemeier, Manabu Shiraiwa, Richard C. Flagan, and John H. Seinfeld
Atmos. Chem. Phys., 16, 12767–12792, https://doi.org/10.5194/acp-16-12767-2016, https://doi.org/10.5194/acp-16-12767-2016, 2016
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Discontinuities in apparent hygroscopicity below and above water saturation have been observed for organic and mixed organic-inorganic aerosol particles in both laboratory studies and in the ambient atmosphere. This work explores the extent to which such discontinuities are influenced by organic component molecular mass and viscosity, non-ideal thermodynamic interactions between aerosol components, and the combination of these factors.
Erika Kienast-Sjögren, Christian Rolf, Patric Seifert, Ulrich K. Krieger, Bei P. Luo, Martina Krämer, and Thomas Peter
Atmos. Chem. Phys., 16, 7605–7621, https://doi.org/10.5194/acp-16-7605-2016, https://doi.org/10.5194/acp-16-7605-2016, 2016
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We present a climatology of mid-latitude cirrus cloud properties based on 13 000 hours of automatically analyzed lidar measurements at three different sites. Jungfraujoch,
situated at 3580 m a.s.l., is found to be ideal to measure high and optically thin
cirrus. We use our retrieved optical properties together with a radiation model and
estimate the radiative forcing by mid-latitude cirrus.
All cirrus clouds detected here have a positive net radiative effect.
D. M. Lienhard, A. J. Huisman, U. K. Krieger, Y. Rudich, C. Marcolli, B. P. Luo, D. L. Bones, J. P. Reid, A. T. Lambe, M. R. Canagaratna, P. Davidovits, T. B. Onasch, D. R. Worsnop, S. S. Steimer, T. Koop, and T. Peter
Atmos. Chem. Phys., 15, 13599–13613, https://doi.org/10.5194/acp-15-13599-2015, https://doi.org/10.5194/acp-15-13599-2015, 2015
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New data of water diffusivity in secondary organic aerosol (SOA) material and organic/inorganic model mixtures is presented over an extensive temperature range. Our data suggest that water diffusion in SOA is sufficiently fast so that it is unlikely to have significant consequences on the direct climatic effect under tropospheric conditions. Glass formation in SOA is unlikely to restrict homogeneous ice nucleation.
S. S. Steimer, U. K. Krieger, Y.-F. Te, D. M. Lienhard, A. J. Huisman, B. P. Luo, M. Ammann, and T. Peter
Atmos. Meas. Tech., 8, 2397–2408, https://doi.org/10.5194/amt-8-2397-2015, https://doi.org/10.5194/amt-8-2397-2015, 2015
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Atmospheric aerosol is often subject to supersaturated or supercooled conditions where bulk measurements are not possible. Here we demonstrate how measurements using single particle electrodynamic levitation combined with light scattering spectroscopy allow the retrieval of thermodynamic data, optical properties and water diffusivity of such metastable particles even when auxiliary bulk data are not available due to lack of sufficient amounts of sample.
N. Hodas, A. Zuend, W. Mui, R. C. Flagan, and J. H. Seinfeld
Atmos. Chem. Phys., 15, 5027–5045, https://doi.org/10.5194/acp-15-5027-2015, https://doi.org/10.5194/acp-15-5027-2015, 2015
G. Ganbavale, A. Zuend, C. Marcolli, and T. Peter
Atmos. Chem. Phys., 15, 447–493, https://doi.org/10.5194/acp-15-447-2015, https://doi.org/10.5194/acp-15-447-2015, 2015
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This study presents a new, improved parameterisation of the temperature dependence of activity coefficients implemented in the AIOMFAC group-contribution model. The AIOMFAC model with the improved parameterisation is applicable for a large variety of aqueous organic as well as water-free organic solutions of relevance for atmospheric aerosols. The new model parameters were determined based on published and new thermodynamic equilibrium data covering a temperature range from ~190 to 440 K.
T. Lei, A. Zuend, W. G. Wang, Y. H. Zhang, and M. F. Ge
Atmos. Chem. Phys., 14, 11165–11183, https://doi.org/10.5194/acp-14-11165-2014, https://doi.org/10.5194/acp-14-11165-2014, 2014
G. Ganbavale, C. Marcolli, U. K. Krieger, A. Zuend, G. Stratmann, and T. Peter
Atmos. Chem. Phys., 14, 9993–10012, https://doi.org/10.5194/acp-14-9993-2014, https://doi.org/10.5194/acp-14-9993-2014, 2014
A. Cirisan, B. P. Luo, I. Engel, F. G. Wienhold, M. Sprenger, U. K. Krieger, U. Weers, G. Romanens, G. Levrat, P. Jeannet, D. Ruffieux, R. Philipona, B. Calpini, P. Spichtinger, and T. Peter
Atmos. Chem. Phys., 14, 7341–7365, https://doi.org/10.5194/acp-14-7341-2014, https://doi.org/10.5194/acp-14-7341-2014, 2014
A. J. Huisman, U. K. Krieger, A. Zuend, C. Marcolli, and T. Peter
Atmos. Chem. Phys., 13, 6647–6662, https://doi.org/10.5194/acp-13-6647-2013, https://doi.org/10.5194/acp-13-6647-2013, 2013
Related subject area
Subject: Aerosols | Research Activity: Atmospheric Modelling and Data Analysis | Altitude Range: Troposphere | Science Focus: Chemistry (chemical composition and reactions)
Opinion: The role of AerChemMIP in advancing climate and air quality research
Uncertainties in the effects of organic aerosol coatings on polycyclic aromatic hydrocarbon concentrations and their estimated health effects
Source-explicit estimation of brown carbon in the polluted atmosphere over the North China Plain: implications for distribution, absorption, and the direct radiative effect
Implications of reduced-complexity aerosol thermodynamics on organic aerosol mass concentration and composition over North America
Trends and drivers of soluble iron deposition from East Asian dust to the Northwest Pacific: a springtime analysis (2001–2017)
Modelling of atmospheric variability in gas and aerosols during the ACROSS campaign 2022 of the greater Paris area: evaluation of the meteorology, dynamics and chemistry
Spatial–temporal patterns in anthropogenic and biomass burning emission contributions to air pollution and mortality burden changes in India from 1995 to 2014
A comprehensive global modeling assessment of nitrate heterogeneous formation on desert dust
AERO-MAP: a data compilation and modeling approach to understand spatial variability in fine- and coarse-mode aerosol composition
Long-term trends in aerosol properties derived from AERONET measurements
Acid-catalyzed hydrolysis kinetics of organic hydroperoxides: Computational strategy and structure-activity relationship
Impacts of sea ice leads on sea salt aerosols and atmospheric chemistry in the Arctic
Dimethyl sulfide chemistry over the industrial era: comparison of key oxidation mechanisms and long-term observations
Driving factors of aerosol acidity: a new hierarchical quantitative analysis framework and its application in Changzhou, China
Understanding the long-term trend of organic aerosol and the influences from anthropogenic emission and regional climate change in China
Competing multiple oxidation pathways shape atmospheric limonene-derived organonitrates simulated with updated explicit chemical mechanisms
Population exposure to outdoor NO2, black carbon, and ultrafine and fine particles over Paris with multi-scale modelling down to the street scale
Predicted impacts of heterogeneous chemical pathways on particulate sulfur over Fairbanks (Alaska), the Northern Hemisphere, and the Contiguous United States
Critical load exceedances for North America and Europe using an ensemble of models and an investigation of causes of environmental impact estimate variability: an AQMEII4 study
The influence of ammonia emissions on the size-resolved global atmospheric aerosol composition and acidity
Toxic Dust Emission from Drought-Exposed Lakebeds – A New Air Pollution Threat from Dried Lakes
Observationally Constrained Analysis on the Distribution of Fine and Coarse Mode Nitrate in Global Climate Models
Dust pollution substantially weakens the impact of ammonia emission reduction on particulate nitrate formation
Impacts of meteorology and emission reductions on haze pollution during the lockdown in the North China Plain
Impact of mineral dust on the global nitrate aerosol direct and indirect radiative effect
Aerosol impacts on regional climate: chaotic or physical effect?
The surface tension and cloud condensation nuclei (CCN) activation of sea spray aerosol particles
Exploring the processes controlling secondary inorganic aerosol: evaluating the global GEOS-Chem simulation using a suite of aircraft campaigns
Incorporation of multi-phase halogen chemistry into Community Multiscale Air Quality (CMAQ) model
Atmospheric fate of organosulfates through gas-phase and aqueous-phase reaction with hydroxyl radicals: implications in inorganic sulfate formation
Changes in the impacts of ship emissions on PM2.5 and its components in China under the staged fuel oil policies
Influence of land cover change on atmospheric organic gases, aerosols, and radiative effects
Quantifying the impacts of marine aerosols over the southeast Atlantic Ocean using a chemical transport model: implications for aerosol–cloud interactions
Quantifying the impact of global nitrate aerosol on tropospheric composition fields and its production from lightning NOx
Aerosol Composition Trends during 2000–2020: In depth insights from model predictions and multiple worldwide observation datasets
Rapid oxidation of phenolic compounds by O3 and HO●: effects of the air–water interface and mineral dust in tropospheric chemical processes
Modeling the contribution of leads to sea spray aerosol in the high Arctic
Exploring Atmospheric Nitrate Formation Mechanisms during the Winters of 2013 and 2018 in the North China Region via Modeling and Isotopic Analysis
Importance of aerosol composition and aerosol vertical profiles in global spatial variation in the relationship between PM2.5 and aerosol optical depth
The co-benefits of a low-carbon future for PM2.5 and O3 air pollution in Europe
Assessing the effectiveness of SO2, NOx, and NH3 emission reductions in mitigating winter PM2.5 in Taiwan using CMAQ
Modelling of atmospheric concentrations of fungal spores: a 2-year simulation over France using CHIMERE
Cluster-dynamics-based parameterization for sulfuric acid–dimethylamine nucleation: comparison and selection through box and three-dimensional modeling
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
Paul T. Griffiths, Laura J. Wilcox, Robert J. Allen, Vaishali Naik, Fiona M. O'Connor, Michael Prather, Alex Archibald, Florence Brown, Makoto Deushi, William Collins, Stephanie Fiedler, Naga Oshima, Lee T. Murray, Bjørn H. Samset, Chris Smith, Steven Turnock, Duncan Watson-Parris, and Paul J. Young
Atmos. Chem. Phys., 25, 8289–8328, https://doi.org/10.5194/acp-25-8289-2025, https://doi.org/10.5194/acp-25-8289-2025, 2025
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The Aerosol Chemistry Model Intercomparison Project (AerChemMIP) aimed to quantify the climate and air quality impacts of aerosols and chemically reactive gases. We review its contribution to AR6 (Sixth Assessment Report of the Intergovernmental Panel on Climate Change) and the wider understanding of the role of these species in climate and climate change. We identify challenges and provide recommendations to improve the utility and uptake of climate model data, detailed summary tables of CMIP6 models, experiments, and emergent diagnostics.
Sijia Lou, Manish Shrivastava, Alexandre Albinet, Sophie Tomaz, Deepchandra Srivastava, Olivier Favez, Huizhong Shen, and Aijun Ding
Atmos. Chem. Phys., 25, 8163–8183, https://doi.org/10.5194/acp-25-8163-2025, https://doi.org/10.5194/acp-25-8163-2025, 2025
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Polycyclic aromatic hydrocarbons (PAHs), emitted from incomplete combustion, pose serious health risks due to their carcinogenic properties. This research demonstrates that viscous organic aerosol coatings significantly hinder PAH oxidation, with spatial distributions sensitive to the degradation modeling approach. Our findings emphasize the need for accurate modeling of PAH oxidation processes in risk assessments, considering both fresh and oxidized PAHs in evaluating human health risks.
Jiamao Zhou, Jiarui Wu, Xiaoli Su, Ruonan Wang, Imad EI Haddad, Xia Li, Qian Jiang, Ting Zhang, Wenting Dai, Junji Cao, Andre S. H. Prevot, Xuexi Tie, and Guohui Li
Atmos. Chem. Phys., 25, 7563–7580, https://doi.org/10.5194/acp-25-7563-2025, https://doi.org/10.5194/acp-25-7563-2025, 2025
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Brown carbon (BrC) is a type of airborne particle produced from various combustion sources which is light absorption. Historically, climate models have categorizing organic particles as either non-absorbing or purely reflective. Our study shows that BrC can reduce the usual cooling effect of organic particles. While BrC is often linked to biomass burning, however, BrC from fossil fuels contributes significantly to atmospheric heating.
Camilo Serrano Damha, Kyle Gorkowski, and Andreas Zuend
Atmos. Chem. Phys., 25, 5773–5792, https://doi.org/10.5194/acp-25-5773-2025, https://doi.org/10.5194/acp-25-5773-2025, 2025
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We implemented the BAT-VBS (Binary Activity Thermodynamics volatility basis set) aerosol thermodynamics model in the GEOS-Chem chemical transport model to efficiently account for organic aerosol water uptake, nonideal mixing, and impacts on the gas–particle partitioning of semi-volatile organics. Compared to GEOS-Chem's complex (dry) scheme, we show that the BAT-VBS model can predict substantial enhancements in organic aerosol mass concentration at moderate-to-high relative humidity.
Hanzheng Zhu, Yaman Liu, Man Yue, Shihui Feng, Pingqing Fu, Kan Huang, Xinyi Dong, and Minghuai Wang
Atmos. Chem. Phys., 25, 5175–5197, https://doi.org/10.5194/acp-25-5175-2025, https://doi.org/10.5194/acp-25-5175-2025, 2025
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Dust-soluble iron deposition from East Asia plays an important role in the marine ecology of the Northwest Pacific. Using the developed model, our findings highlight a dual trend: a decrease in the overall deposition of soluble iron from dust but an increase in the solubility of the iron itself due to the enhanced atmospheric processing. The study underscores the critical roles of both dust emission and atmospheric processing in soluble iron deposition and marine ecology.
Ludovico Di Antonio, Matthias Beekmann, Guillaume Siour, Vincent Michoud, Christopher Cantrell, Astrid Bauville, Antonin Bergé, Mathieu Cazaunau, Servanne Chevaillier, Manuela Cirtog, Joel F. de Brito, Paola Formenti, Cecile Gaimoz, Olivier Garret, Aline Gratien, Valérie Gros, Martial Haeffelin, Lelia N. Hawkins, Simone Kotthaus, Gael Noyalet, Diana L. Pereira, Jean-Eudes Petit, Eva Drew Pronovost, Véronique Riffault, Chenjie Yu, Gilles Foret, Jean-François Doussin, and Claudia Di Biagio
Atmos. Chem. Phys., 25, 4803–4831, https://doi.org/10.5194/acp-25-4803-2025, https://doi.org/10.5194/acp-25-4803-2025, 2025
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The summer of 2022 has been considered a proxy for future climate scenarios due to its hot and dry conditions. In this paper, we use the measurements from the Atmospheric Chemistry of the Suburban Forest (ACROSS) campaign, conducted in the Paris area in June–July 2022, along with observations from existing networks, to evaluate a 3D chemistry transport model (WRF–CHIMERE) simulation. Results are shown to be satisfactory, allowing us to explain the gas and aerosol variability at the campaign sites.
Bin Luo, Yuqiang Zhang, Tao Tang, Hongliang Zhang, Jianlin Hu, Jiangshan Mu, Wenxing Wang, and Likun Xue
Atmos. Chem. Phys., 25, 4767–4783, https://doi.org/10.5194/acp-25-4767-2025, https://doi.org/10.5194/acp-25-4767-2025, 2025
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India is facing a severe air pollution crisis that poses significant health risks, particularly from PM2.5 and O3. Our study reveals rising levels of both pollutants from 1995 to 2014, leading to increased premature mortality. While anthropogenic emissions play a significant role, biomass burning also impacts air quality, in particular seasons and regions in India. This study underscores the urgent need for localized policies to protect public health amid escalating environmental challenges.
Rubén Soussé Villa, Oriol Jorba, María Gonçalves Ageitos, Dene Bowdalo, Marc Guevara, and Carlos Pérez García-Pando
Atmos. Chem. Phys., 25, 4719–4753, https://doi.org/10.5194/acp-25-4719-2025, https://doi.org/10.5194/acp-25-4719-2025, 2025
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Desert dust forms nitrate coatings as it travels through the atmosphere. However, current models that predict this process vary greatly due to different methods and inaccuracies. We examined how nitrate forms in a global model, focusing on how gases condense on dust, the lifespan of different particles, and the impact of alkalinity. Our findings show that models work best when they consider reversible gas condensation with alkalinity. This should lead to better estimates of climate impacts.
Natalie M. Mahowald, Longlei Li, Julius Vira, Marje Prank, Douglas S. Hamilton, Hitoshi Matsui, Ron L. Miller, P. Louis Lu, Ezgi Akyuz, Daphne Meidan, Peter Hess, Heikki Lihavainen, Christine Wiedinmyer, Jenny Hand, Maria Grazia Alaimo, Célia Alves, Andres Alastuey, Paulo Artaxo, Africa Barreto, Francisco Barraza, Silvia Becagli, Giulia Calzolai, Shankararaman Chellam, Ying Chen, Patrick Chuang, David D. Cohen, Cristina Colombi, Evangelia Diapouli, Gaetano Dongarra, Konstantinos Eleftheriadis, Johann Engelbrecht, Corinne Galy-Lacaux, Cassandra Gaston, Dario Gomez, Yenny González Ramos, Roy M. Harrison, Chris Heyes, Barak Herut, Philip Hopke, Christoph Hüglin, Maria Kanakidou, Zsofia Kertesz, Zbigniew Klimont, Katriina Kyllönen, Fabrice Lambert, Xiaohong Liu, Remi Losno, Franco Lucarelli, Willy Maenhaut, Beatrice Marticorena, Randall V. Martin, Nikolaos Mihalopoulos, Yasser Morera-Gómez, Adina Paytan, Joseph Prospero, Sergio Rodríguez, Patricia Smichowski, Daniela Varrica, Brenna Walsh, Crystal L. Weagle, and Xi Zhao
Atmos. Chem. Phys., 25, 4665–4702, https://doi.org/10.5194/acp-25-4665-2025, https://doi.org/10.5194/acp-25-4665-2025, 2025
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Aerosol particles are an important part of the Earth system, but their concentrations are spatially and temporally heterogeneous, as well as being variable in size and composition. Here, we present a new compilation of PM2.5 and PM10 aerosol observations, focusing on the spatial variability across different observational stations, including composition, and demonstrate a method for comparing the data sets to model output.
Zhenyu Zhang, Jing Li, Huizheng Che, Yueming Dong, Oleg Dubovik, Thomas Eck, Pawan Gupta, Brent Holben, Jhoon Kim, Elena Lind, Trailokya Saud, Sachchida Nand Tripathi, and Tong Ying
Atmos. Chem. Phys., 25, 4617–4637, https://doi.org/10.5194/acp-25-4617-2025, https://doi.org/10.5194/acp-25-4617-2025, 2025
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We used ground-based remote sensing data from the Aerosol Robotic Network to examine long-term trends in aerosol characteristics. We found aerosol loadings generally decreased globally, and aerosols became more scattering. These changes are closely related to variations in aerosol compositions, such as decreased anthropogenic emissions over East Asia, Europe, and North America; increased anthropogenic sources over northern India; and increased dust activity over the Arabian Peninsula.
Qiaojing Zhao, Fangfang Ma, Hui Zhao, Qian Xu, Rujing Yin, Hong-Bin Xie, Xin Wang, and Jingwen Chen
EGUsphere, https://doi.org/10.5194/egusphere-2025-1662, https://doi.org/10.5194/egusphere-2025-1662, 2025
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The scarcity of kinetic data for key aerosol aqueous-phase reactions contributes to large uncertainties in atmospheric models. We establish a computational strategy to rapidly predict acid-catalyzed hydrolysis kinetics of organic hydroperoxides, an aerosol constituent with high abundance. The kinetic parameters can be integrated into atmospheric models to improve simulations of the global hydrogen peroxide budget and secondary organic aerosol production.
Erin J. Emme and Hannah M. Horowitz
Atmos. Chem. Phys., 25, 4531–4545, https://doi.org/10.5194/acp-25-4531-2025, https://doi.org/10.5194/acp-25-4531-2025, 2025
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There is uncertainty in the sources of Arctic cold-season (November–April) sea salt aerosols. Using a chemical transport model and satellite observations, we quantify Arctic-wide sea salt aerosol emissions from fractures in sea ice, called open sea ice leads, and their atmospheric chemistry impacts for the cold season. We show that sea ice leads contribute to Arctic sea salt aerosols and bromine, especially in under-observed regions.
Ursula A. Jongebloed, Jacob I. Chalif, Linia Tashmim, William C. Porter, Kelvin H. Bates, Qianjie Chen, Erich C. Osterberg, Bess G. Koffman, Jihong Cole-Dai, Dominic A. Winski, David G. Ferris, Karl J. Kreutz, Cameron P. Wake, and Becky Alexander
Atmos. Chem. Phys., 25, 4083–4106, https://doi.org/10.5194/acp-25-4083-2025, https://doi.org/10.5194/acp-25-4083-2025, 2025
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Marine phytoplankton emit dimethyl sulfide (DMS), which forms methanesulfonic acid (MSA) and sulfate. MSA concentrations in ice cores decreased over the industrial era, which has been attributed to pollution-driven changes in DMS chemistry. We use a model to investigate DMS chemistry compared to observations of DMS, MSA, and sulfate. We find that modeled DMS, MSA, and sulfate are influenced by pollution-sensitive oxidant concentrations, characterization of DMS chemistry, and other variables.
Xiaolin Duan, Guangjie Zheng, Chuchu Chen, Qiang Zhang, and Kebin He
Atmos. Chem. Phys., 25, 3919–3928, https://doi.org/10.5194/acp-25-3919-2025, https://doi.org/10.5194/acp-25-3919-2025, 2025
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Aerosol acidity is an important parameter in atmospheric chemistry, while its driving factors, especially chemical profiles versus meteorological conditions, are not yet fully understood. Here, we established a hierarchical quantitative analysis framework to understand the driving factors of aerosol acidity on different timescales. Its application in Changzhou, China, revealed distinct driving factors and corresponding mechanisms of aerosol acidity from annual trends to random residuals.
Wenxin Zhang, Yaman Liu, Man Yue, Xinyi Dong, Kan Huang, and Minghuai Wang
Atmos. Chem. Phys., 25, 3857–3872, https://doi.org/10.5194/acp-25-3857-2025, https://doi.org/10.5194/acp-25-3857-2025, 2025
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Understanding long-term organic aerosol (OA) trends and their driving factors is important for air quality management. Our modeling revealed that OA in China increased by 5.6 % from 1990 to 2019, primarily due to a 32.3 % increase in secondary organic aerosols (SOAs) and an 8.1 % decrease in primary organic aerosols (POAs), both largely driven by changes in anthropogenic emissions. Biogenic SOA increased due to warming but showed little response to changes in anthropogenic nitrogen oxide emissions.
Qinghao Guo, Haofei Zhang, Bo Long, Lehui Cui, Yiyang Sun, Hao Liu, Yaxin Liu, Yunting Xiao, Pingqing Fu, and Jialei Zhu
EGUsphere, https://doi.org/10.5194/egusphere-2025-1058, https://doi.org/10.5194/egusphere-2025-1058, 2025
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Limonene, a natural compound from plants, reacts with pollutants to form airborne particles that influence air quality and climate. Using advanced models with explicit chemical mechanisms, we show how different reaction pathways shape organonitrate formation, with some increasing and others decreasing particle levels. This approach enhancing predictions of pollution and climate impacts while deepening our understanding of how natural and human-made emissions interact in the atmosphere.
Soo-Jin Park, Lya Lugon, Oscar Jacquot, Youngseob Kim, Alexia Baudic, Barbara D'Anna, Ludovico Di Antonio, Claudia Di Biagio, Fabrice Dugay, Olivier Favez, Véronique Ghersi, Aline Gratien, Julien Kammer, Jean-Eudes Petit, Olivier Sanchez, Myrto Valari, Jérémy Vigneron, and Karine Sartelet
Atmos. Chem. Phys., 25, 3363–3387, https://doi.org/10.5194/acp-25-3363-2025, https://doi.org/10.5194/acp-25-3363-2025, 2025
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To accurately represent the population exposure to outdoor concentrations of pollutants of interest to health (NO2, PM2.5, black carbon, and ultrafine particles), multi-scale modelling down to the street scale is set up and evaluated using measurements from field campaigns. An exposure scaling factor is defined, allowing regional-scale simulations to be corrected to evaluate population exposure. Urban heterogeneities strongly influence NO2, black carbon, and ultrafine particles but less strongly PM2.5.
Sara L. Farrell, Havala O. T. Pye, Robert Gilliam, George Pouliot, Deanna Huff, Golam Sarwar, William Vizuete, Nicole Briggs, Fengkui Duan, Tao Ma, Shuping Zhang, and Kathleen Fahey
Atmos. Chem. Phys., 25, 3287–3312, https://doi.org/10.5194/acp-25-3287-2025, https://doi.org/10.5194/acp-25-3287-2025, 2025
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In this work we implement heterogeneous sulfur chemistry into the Community Multiscale Air Quality (CMAQ) model. This new chemistry accounts for the formation of sulfate via aqueous oxidation of SO2 in aerosol liquid water and the formation of hydroxymethanesulfonate (HMS) – often confused by measurement techniques as sulfate. Model performance in predicting sulfur PM2.5 in Fairbanks, Alaska, and other places that experience dark and cold winters is improved.
Paul A. Makar, Philip Cheung, Christian Hogrefe, Ayodeji Akingunola, Ummugulsum Alyuz, Jesse O. Bash, Michael D. Bell, Roberto Bellasio, Roberto Bianconi, Tim Butler, Hazel Cathcart, Olivia E. Clifton, Alma Hodzic, Ioannis Kioutsioukis, Richard Kranenburg, Aurelia Lupascu, Jason A. Lynch, Kester Momoh, Juan L. Perez-Camanyo, Jonathan Pleim, Young-Hee Ryu, Roberto San Jose, Donna Schwede, Thomas Scheuschner, Mark W. Shephard, Ranjeet S. Sokhi, and Stefano Galmarini
Atmos. Chem. Phys., 25, 3049–3107, https://doi.org/10.5194/acp-25-3049-2025, https://doi.org/10.5194/acp-25-3049-2025, 2025
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The large range of sulfur and nitrogen deposition estimates from air quality models results in a large range of predicted impacts. We used models and deposition diagnostics to identify the processes controlling atmospheric sulfur and nitrogen deposition variability. Controlling factors included the uptake of gases and aerosols by hydrometeors, aerosol inorganic chemistry, particle dry deposition, ammonia bidirectional fluxes, gas deposition via plant cuticles and soil, and land use data.
Xurong Wang, Alexandra P. Tsimpidi, Zhenqi Luo, Benedikt Steil, Andrea Pozzer, Jos Lelieveld, and Vlassis A. Karydis
EGUsphere, https://doi.org/10.5194/egusphere-2025-527, https://doi.org/10.5194/egusphere-2025-527, 2025
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Ammonia (NH3) is an abundant alkaline gas and key precursor in particulate matter formation. While SO2 and NOx emissions have decreased, global NH3 emissions are stable or rising. This study investigates NH3 emission impacts on size-resolved aerosol composition and acidity using the EMAC model, analyzing three emission schemes. Sulphate-nitrate-ammonium aerosols in fine mode sizes are most sensitive to NH3 changes. Regional responses vary. NH3 buffers aerosol acidity, mitigating pH shifts.
Qianqian Gao, Guochao Chen, Xiaohui Lu, Jianmin Chen, Hongliang Zhang, and Xiaofei Wang
EGUsphere, https://doi.org/10.5194/egusphere-2025-596, https://doi.org/10.5194/egusphere-2025-596, 2025
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Numerous lakes are shrinking due to climate change and human activities, releasing pollutants from dried lakebeds as dust aerosols. The health risks remain unclear. Recently, Poyang and Dongting Lakes faced record droughts, exposing 99 % and 88 % of their areas. We show lakebed dust can raise PM10 to 637.5 μg/m³ and exceed non-carcinogenic (HQ=4.13) and Cr carcinogenic (~2.10×10⁻⁶) risk thresholds, posing growing health threats.
Mingxuan Wu, Hailong Wang, Zheng Lu, Xiaohong Liu, Huisheng Bian, David Cohen, Yan Feng, Mian Chin, Didier A. Hauglustaine, Vlassis A. Karydis, Marianne T. Lund, Gunnar Myhre, Andrea Pozzer, Michael Schulz, Ragnhild B. Skeie, Alexandra P. Tsimpidi, Svetlana G. Tsyro, and Shaocheng Xie
EGUsphere, https://doi.org/10.5194/egusphere-2025-235, https://doi.org/10.5194/egusphere-2025-235, 2025
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A key challenge in simulating the lifecycle of nitrate aerosol in global climate models is to accurately represent mass size distribution of nitrate aerosol, which lacks sufficient observational constraints. We found that most climate models underestimate the mass fraction of fine-mode nitrate at surface in all regions. Our study highlights the importance of gas-aerosol partitioning parameterization and simulation of dust and sea salt in correctly simulating mass size distribution of nitrate.
Hanrui Lang, Yunjiang Zhang, Sheng Zhong, Yongcai Rao, Minfeng Zhou, Jian Qiu, Jingyi Li, Diwen Liu, Florian Couvidat, Olivier Favez, Didier Hauglustaine, and Xinlei Ge
EGUsphere, https://doi.org/10.5194/egusphere-2025-231, https://doi.org/10.5194/egusphere-2025-231, 2025
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This study investigates how dust pollution influences particulate nitrate formation. We found that dust pollution could reduce the effectiveness of ammonia emission controls by altering aerosol chemistry. Using field observations and modeling, we showed that dust particles affect nitrate distribution between gas and particle phases. Our findings highlight the need for pollution control strategies that consider both human emissions and dust sources for better urban air quality management.
Lang Liu, Xin Long, Yi Li, Zengliang Zang, Fengwen Wang, Yan Han, Zhier Bao, Yang Chen, Tian Feng, and Jinxin Yang
Atmos. Chem. Phys., 25, 1569–1585, https://doi.org/10.5194/acp-25-1569-2025, https://doi.org/10.5194/acp-25-1569-2025, 2025
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This study uses WRF-Chem to assess how meteorological conditions and emission reductions affected fine particulate matter (PM2.5) in the North China Plain (NCP). It highlights regional disparities: in the northern NCP, adverse weather negated emission reduction effects. In contrast, the southern NCP featured a PM2.5 decrease due to favorable weather and emission reductions. The research highlighted the interaction between emissions, meteorology, and PM2.5.
Alexandros Milousis, Klaus Klingmüller, Alexandra P. Tsimpidi, Jasper F. Kok, Maria Kanakidou, Athanasios Nenes, and Vlassis A. Karydis
Atmos. Chem. Phys., 25, 1333–1351, https://doi.org/10.5194/acp-25-1333-2025, https://doi.org/10.5194/acp-25-1333-2025, 2025
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This study investigates the impact of dust on the global radiative effect of nitrate aerosols. The results indicate both positive and negative regional shortwave and longwave radiative effects due to aerosol–radiation interactions and cloud adjustments. The global average net REari and REaci of nitrate aerosols are −0.11 and +0.17 W m−2, respectively, mainly affecting the shortwave spectrum. Sensitivity simulations evaluated the influence of mineral dust composition and emissions on the results.
Jiawang Feng, Chun Zhao, Jun Gu, Gudongze Li, Mingyue Xu, Shengfu Lin, and Jie Feng
EGUsphere, https://doi.org/10.5194/egusphere-2024-4037, https://doi.org/10.5194/egusphere-2024-4037, 2025
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Climate models help study aerosol impacts on regional climate. However, the atmosphere's chaotic nature makes it hard to separate true aerosol impacts from chaotic effects. Our ensemble experiments show that while large-scale aerosol effects are consistent, regional aerosol impacts vary significantly among experiments. We give a formula showing the relationship between chaotic effects and ensemble sizes, emphasizing the necessity of adequate ensemble members to capture reliable aerosol impacts.
Judith Kleinheins, Nadia Shardt, Ulrike Lohmann, and Claudia Marcolli
Atmos. Chem. Phys., 25, 881–903, https://doi.org/10.5194/acp-25-881-2025, https://doi.org/10.5194/acp-25-881-2025, 2025
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We model the cloud condensation nuclei (CCN) activation of sea spray aerosol particles with classical Köhler theory and with a new model approach that takes surface tension lowering into account. We categorize organic compounds into weak, intermediate, and strong surfactants, and we outline for which composition surface tension lowering is important. The results suggest that surface tension lowering allows sea spray aerosol particles in the Aitken mode to be a source of CCN in marine updraughts.
Olivia G. Norman, Colette L. Heald, Solomon Bililign, Pedro Campuzano-Jost, Hugh Coe, Marc N. Fiddler, Jaime R. Green, Jose L. Jimenez, Katharina Kaiser, Jin Liao, Ann M. Middlebrook, Benjamin A. Nault, John B. Nowak, Johannes Schneider, and André Welti
Atmos. Chem. Phys., 25, 771–795, https://doi.org/10.5194/acp-25-771-2025, https://doi.org/10.5194/acp-25-771-2025, 2025
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This study finds that one component of secondary inorganic aerosols, nitrate, is greatly overestimated by a global atmospheric chemistry model compared to observations from 11 flight campaigns. None of the loss and production pathways explored can explain the nitrate bias alone. The model’s inability to capture the variability in the observations remains and requires future investigation to avoid biases in policy-related studies (i.e., air quality, health, climate impacts of these aerosols).
Kiyeon Kim, Chul Han Song, Kyung Man Han, Greg Yarwood, Ross Beardsley, and Saewung Kim
EGUsphere, https://doi.org/10.5194/egusphere-2025-23, https://doi.org/10.5194/egusphere-2025-23, 2025
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Despite the crucial role of halogen radicals in the atmosphere, the current CMAQ model does not account for multi-phase halogen processes. To address this issue, we incorporated 177 halogen reactions, together with anthropogenic and natural halogen emissions into the CMAQ model. Our findings reveal that incorporation of these halogen processes significantly improves model performances compared to ground observations. In addition, we emphasize the influence of halogen radicals on air quality.
Narcisse Tsona Tchinda, Xiaofan Lv, Stanley Numboniu Tasheh, Julius Numboniu Ghogomu, and Lin Du
EGUsphere, https://doi.org/10.5194/egusphere-2025-29, https://doi.org/10.5194/egusphere-2025-29, 2025
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This study examines the chemical transformation of selected organosulfates by reactions with HO• radicals both in the gas-phase and in the aqueous-phase. Results show that the nature of the substituents on the carbon chain can effectively alter the decomposition of organosulfates and ozone is highlighted as a key oxidant in the intermediate steps of this decomposition. The primary products from these reactions include inorganic sulfate and carbonyl compounds.
Guangyuan Yu, Yan Zhang, Qian Wang, Zimin Han, Shenglan Jiang, Fan Yang, Xin Yang, and Cheng Huang
EGUsphere, https://doi.org/10.5194/egusphere-2024-3892, https://doi.org/10.5194/egusphere-2024-3892, 2025
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China has carried out staged low-sulfur fuel policies since 2017. This study simulated the changing spatiotemporal patterns of the impacts of ship emissions on PM2.5 from 2017 to 2021 based on the updated emission inventories and mapping of chemical species in the CMAQ. Fuel policies caused evident relative changes in inorganic and organic components of the shipping-related PM2.5 over China’s port cities. The driving factors of the interannual, seasonal, and diurnal patterns were discussed.
Ryan Vella, Matthew Forrest, Andrea Pozzer, Alexandra P. Tsimpidi, Thomas Hickler, Jos Lelieveld, and Holger Tost
Atmos. Chem. Phys., 25, 243–262, https://doi.org/10.5194/acp-25-243-2025, https://doi.org/10.5194/acp-25-243-2025, 2025
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This study examines how land cover changes influence biogenic volatile organic compound (BVOC) emissions and atmospheric states. Using a coupled chemistry–climate–vegetation model, we compare present-day land cover (deforested for crops and grazing) with natural vegetation and an extreme reforestation scenario. We find that vegetation changes significantly impact global BVOC emissions and organic aerosols but have a relatively small effect on total aerosols, clouds, and radiative effects.
Mashiat Hossain, Rebecca M. Garland, and Hannah M. Horowitz
Atmos. Chem. Phys., 24, 14123–14143, https://doi.org/10.5194/acp-24-14123-2024, https://doi.org/10.5194/acp-24-14123-2024, 2024
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Our research examines aerosol dynamics over the southeast Atlantic, a region with significant uncertainties in aerosol radiative forcings. Using the GEOS-Chem model, we find that at cloud altitudes, organic aerosols dominate during the biomass burning season, while sulfate aerosols, driven by marine emissions, prevail during peak primary production. These findings highlight the need for accurate representation of marine aerosols in models to improve climate predictions and reduce uncertainties.
Ashok K. Luhar, Anthony C. Jones, and Jonathan M. Wilkinson
Atmos. Chem. Phys., 24, 14005–14028, https://doi.org/10.5194/acp-24-14005-2024, https://doi.org/10.5194/acp-24-14005-2024, 2024
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Nitrate aerosol is often omitted in global chemistry–climate models, partly due to the chemical complexity of its formation process. Using a global model, we show that including nitrate aerosol significantly impacts tropospheric composition fields, such as ozone, and radiation. Additionally, lightning-generated oxides of nitrogen influence both nitrate aerosol mass concentrations and aerosol size distribution, which has important implications for radiative fluxes and indirect aerosol effects.
Alexandra P. Tsimpidi, Susanne M. C. Scholz, Alexandros Milousis, Nikolaos Mihalopoulos, and Vlassis A. Karydis
EGUsphere, https://doi.org/10.5194/egusphere-2024-3590, https://doi.org/10.5194/egusphere-2024-3590, 2024
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This study examines global changes in air pollution from 2000 to 2020, focusing on fine aerosols that impact climate and health. Using models and global data, it finds organic aerosols dominate in many regions, especially with wildfires or natural emissions. Pollution from sulfate and nitrate has decreased in Europe and North America due to regulations, while trends in Asia are more complex. The findings improve understanding and support policies for cleaner air and healthier environments.
Yanru Huo, Mingxue Li, Xueyu Wang, Jianfei Sun, Yuxin Zhou, Yuhui Ma, and Maoxia He
Atmos. Chem. Phys., 24, 12409–12423, https://doi.org/10.5194/acp-24-12409-2024, https://doi.org/10.5194/acp-24-12409-2024, 2024
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This work found that the air–water (A–W) interface and TiO2 clusters promote the oxidation of phenolic compounds (PhCs) to varying degrees compared with the gas phase and bulk water. Some byproducts are more harmful than their parent compounds. This work provides important evidence for the rapid oxidation observed in O3/HO• + PhC experiments at the A–W interface and in mineral dust.
Rémy Lapere, Louis Marelle, Pierre Rampal, Laurent Brodeau, Christian Melsheimer, Gunnar Spreen, and Jennie L. Thomas
Atmos. Chem. Phys., 24, 12107–12132, https://doi.org/10.5194/acp-24-12107-2024, https://doi.org/10.5194/acp-24-12107-2024, 2024
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Elongated open-water areas in sea ice, called leads, can release marine aerosols into the atmosphere. In the Arctic, this source of atmospheric particles could play an important role for climate. However, the amount, seasonality and spatial distribution of such emissions are all mostly unknown. Here, we propose a first parameterization for sea spray aerosols emitted through leads in sea ice and quantify their impact on aerosol populations in the high Arctic.
Zhenze Liu, Jianhua Qi, Yuanzhe Ni, Likun Xue, and Xiaohuan Liu
EGUsphere, https://doi.org/10.5194/egusphere-2024-3044, https://doi.org/10.5194/egusphere-2024-3044, 2024
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Our study explores the formation of nitrate in the atmosphere of inland and coastal cities in China during the winters of 2013 & 2018. Through air quality modelling & isotope analysis, we found regional differences between these cities; coastal cities show another contribution from the heterogeneous reaction of dinitrogen pentoxide (N2O5). It turns out that the combined reduction of nitrogen oxides (NOx), volatile organic compounds (VOCs) and ammonia (NH3) is critical to reducing nitrate levels.
Haihui Zhu, Randall V. Martin, Aaron van Donkelaar, Melanie S. Hammer, Chi Li, Jun Meng, Christopher R. Oxford, Xuan Liu, Yanshun Li, Dandan Zhang, Inderjeet Singh, and Alexei Lyapustin
Atmos. Chem. Phys., 24, 11565–11584, https://doi.org/10.5194/acp-24-11565-2024, https://doi.org/10.5194/acp-24-11565-2024, 2024
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Ambient fine particulate matter (PM2.5) contributes to 4 million deaths globally each year. Satellite remote sensing of aerosol optical depth (AOD), coupled with a simulated PM2.5–AOD relationship (η), can provide global PM2.5 estimations. This study aims to understand the spatial patterns and driving factors of η to guide future measurement and modeling efforts. We quantified η globally and regionally and found that its spatial variation is strongly influenced by aerosol composition.
Connor J. Clayton, Daniel R. Marsh, Steven T. Turnock, Ailish M. Graham, Kirsty J. Pringle, Carly L. Reddington, Rajesh Kumar, and James B. McQuaid
Atmos. Chem. Phys., 24, 10717–10740, https://doi.org/10.5194/acp-24-10717-2024, https://doi.org/10.5194/acp-24-10717-2024, 2024
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We demonstrate that strong climate mitigation could improve air quality in Europe; however, less ambitious mitigation does not result in these co-benefits. We use a high-resolution atmospheric chemistry model. This allows us to demonstrate how this varies across European countries and analyse the underlying chemistry. This may help policy-facing researchers understand which sectors and regions need to be prioritised to achieve strong air quality co-benefits of climate mitigation.
Ping-Chieh Huang, Hui-Ming Hung, Hsin-Chih Lai, and Charles C.-K. Chou
Atmos. Chem. Phys., 24, 10759–10772, https://doi.org/10.5194/acp-24-10759-2024, https://doi.org/10.5194/acp-24-10759-2024, 2024
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Models were used to study ways to reduce particulate matter (PM) pollution in Taiwan during winter. After considering various factors, such as physical processes and chemical reactions, we found that reducing NOx or NH3 emissions is more effective at mitigating PM2.5 than reducing SO2 emissions. When considering both efficiency and cost, reducing NH3 emissions seems to be a more suitable policy for the studied environment in Taiwan.
Matthieu Vida, Gilles Foret, Guillaume Siour, Florian Couvidat, Olivier Favez, Gaelle Uzu, Arineh Cholakian, Sébastien Conil, Matthias Beekmann, and Jean-Luc Jaffrezo
Atmos. Chem. Phys., 24, 10601–10615, https://doi.org/10.5194/acp-24-10601-2024, https://doi.org/10.5194/acp-24-10601-2024, 2024
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We simulate 2 years of atmospheric fungal spores over France and use observations of polyols and primary biogenic factors from positive matrix factorisation. The representation of emissions taking into account a proxy for vegetation surface and specific humidity enables us to reproduce very accurately the seasonal cycle of fungal spores. Furthermore, we estimate that fungal spores can account for 20 % of PM10 and 40 % of the organic fraction of PM10 over vegetated areas in summer.
Jiewen Shen, Bin Zhao, Shuxiao Wang, An Ning, Yuyang Li, Runlong Cai, Da Gao, Biwu Chu, Yang Gao, Manish Shrivastava, Jingkun Jiang, Xiuhui Zhang, and Hong He
Atmos. Chem. Phys., 24, 10261–10278, https://doi.org/10.5194/acp-24-10261-2024, https://doi.org/10.5194/acp-24-10261-2024, 2024
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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
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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
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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
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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
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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
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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
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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
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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.
Cited articles
Abel, E., Redlich, O., and Hersch, F.:
Freezing-point measurements. III Activity coefficients and dissociation of iodic acid,
Z. Phys. Chem. A,
170A, 112–122, https://doi.org/10.1515/zpch-1934-17010, 1934. a
Abrams, D. S. and Prausnitz, J. M.:
Statistical thermodynamics of liquid mixtures: A new expression for the excess Gibbs energy of partly or completely miscible systems,
AIChE J.,
21, 116–128, https://doi.org/10.1002/aic.690210115, 1975. a
Al-Sahhaf, T. A. and Jabbar, N. J.:
Vapor-liquid equilibrium of the acetone-water-salt system,
J. Chem. Eng. Data,
38, 522–526, https://doi.org/10.1021/je00012a010, 1993. a, b, c
Al-Sahhaf, T. A. and Kapetanovic, E.:
Salt Effects of Lithium Chloride, Sodium Bromide, or Potassium Iodide on Liquid-Liquid Equilibrium in the System Water + 1-Butanol,
J. Chem. Eng. Data,
42, 74–77, https://doi.org/10.1021/je960234r, 1997. a, b
Al-Sahhaf, T. A., Kapetanovic, E., and Kadhem, Q.:
Salt effects on liquid-liquid equilibria in the partially miscible systems water + 2-butanone and water + ethyl acetate,
Fluid Phase Equilibr.,
157, 271–283, https://doi.org/10.1016/S0378-3812(99)00040-0, 1999. a, b, c
Allan, J. D., Topping, D. O., Good, N., Irwin, M., Flynn, M., Williams, P. I., Coe, H., Baker, A. R., Martino, M., Niedermeier, N., Wiedensohler, A., Lehmann, S., Müller, K., Herrmann, H., and McFiggans, G.: Composition and properties of atmospheric particles in the eastern Atlantic and impacts on gas phase uptake rates, Atmos. Chem. Phys., 9, 9299–9314, https://doi.org/10.5194/acp-9-9299-2009, 2009. a
Allan, J. D., Williams, P. I., Najera, J., Whitehead, J. D., Flynn, M. J., Taylor, J. W., Liu, D., Darbyshire, E., Carpenter, L. J., Chance, R., Andrews, S. J., Hackenberg, S. C., and McFiggans, G.: Iodine observed in new particle formation events in the Arctic atmosphere during ACCACIA, Atmos. Chem. Phys., 15, 5599–5609, https://doi.org/10.5194/acp-15-5599-2015, 2015. a
Altaf, M. B. and Freedman, M. A.:
Effect of Drying Rate on Aerosol Particle Morphology,
J. Phys. Chem. Lett.,
8, 3613–3618, https://doi.org/10.1021/acs.jpclett.7b01327, 2017. a
Altshuller, A. P. and Everson, H. E.:
The Solubility of Ethyl Acetate in Aqueous Electrolyte Solutions,
J. Am. Chem. Soc.,
75, 4823–4827, https://doi.org/10.1021/ja01115a059, 1953. a, b
Andronova, A. V., Gomes, L., Smirnov, V. V., Ivanov, A. V., and Shukurova, L. M.:
Physico-chemical characteristics of dust aerosols deposited during the Soviet-American experiment (Tadzhikistan, 1989),
Atmos. Environ. A-Gen.,
27, 2487–2493, https://doi.org/10.1016/0960-1686(93)90020-Y, 1993. a
Apelblat, A. and Korin, E.:
The vapour pressures of saturated aqueous solutions of sodium chloride, sodium bromide, sodium nitrate, sodium nitrite, potassium iodate, and rubidium chloride at temperatures from 227 K to 323 K,
J. Chem. Thermodyn.,
30, 59–71, https://doi.org/10.1006/jcht.1997.0275, 1998. a, b, c
Baccarini, A., Karlsson, L., Dommen, J., Duplessis, P., Vüllers, J., Brooks, I. M., Saiz-Lopez, A., Salter, M., Tjernström, M., Baltensperger, U., Zieger, P., and Schmale, J.:
Frequent new particle formation over the high Arctic pack ice by enhanced iodine emissions,
Nat. Commun.,
11, 4924, https://doi.org/10.1038/s41467-020-18551-0, 2020. a, b
Baker, A. R.:
Inorganic iodine speciation in tropical Atlantic aerosol,
Geophys. Res. Lett.,
31, L23S02, https://doi.org/10.1029/2004GL020144, 2004. a, b
Baker, A. R.:
Marine Aerosol Iodine Chemistry: The Importance of Soluble Organic Iodine,
Environ. Chem.,
2, 295–298, https://doi.org/10.1071/EN05070, 2005. a
Baker, A. R. and Yodle, C.: Measurement report: Indirect evidence for the controlling influence of acidity on the speciation of iodine in Atlantic aerosols, Atmos. Chem. Phys., 21, 13067–13076, https://doi.org/10.5194/acp-21-13067-2021, 2021. a, b
Baker, A. R., Thompson, D., Campos, M. L. A. M., Parry, S. J., and Jickells, T. D.:
Iodine concentration and availability in atmospheric aerosol,
Atmos. Environ.,
34, 4331–4336, https://doi.org/10.1016/S1352-2310(00)00208-9, 2000. a, b, c
Barthel, J. and Lauermann, G.:
Vapor pressure measurements on non-aqueous electrolyte solutions. Part 3: Solutions of sodium lodide in ethanol, 2-propanol, and acetonitrile,
J. Solution Chem.,
15, 869–877, https://doi.org/10.1007/BF00646093, 1986. a
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. a
Bonner, O. D.:
The osmotic and activity coefficients of some salts having relatively large molar volumes,
J. Chem. Eng. Data,
21, 498–499, https://doi.org/10.1021/je60071a020, 1976. a, b
Bonner, O. D. and Prichard, P. R.:
The ionization of trichloroacetic acid and evidence for an unusual type of ion pairing,
J. Solution Chem.,
8, 113, https://doi.org/10.1007/BF00650511, 1979. a, b, c, d
Burns, J. A. and Furter, W. F.:
Salt Effect in Vapor–Liquid Equilibrium at Fixed Liquid Composition,
Adv. Chem. Ser.,
177, 11–26, 1979. a
Carslaw, K. S., Lee, L. A., Reddington, C. L., Pringle, K. J., Rap, A., Forster, P. M., Mann, G. W., Spracklen, D. V., Woodhouse, M. T., Regayre, L. A., and Pierce, J. R.:
Large contribution of natural aerosols to uncertainty in indirect forcing,
Nature,
503, 67–71, https://doi.org/10.1038/nature12674, 2013. a, b
Chen, W.-M. and Zhang, Y.-M.:
Vapor-Liquid Equilibria for Alcohol-Water-KI/NaAc Systems,
J. Chem. Eng. Chin. Univ.,
17, 123–127, https://doi.org/10.3321/j.issn:1003-9015.2003.02.002, 2003. a, b, c, d
Chen, X., Yang, B., Abdeltawab, A. A., Al-Deyab, S. S., Yu, G., and Yong, X.:
Isobaric Vapor–Liquid Equilibrium for Acetone + Methanol + Phosphate Ionic Liquids,
J. Chem. Eng. Data,
60, 612–620, https://doi.org/10.1021/je5007373, 2015. a
Cheng, W., Li, Z., and Cheng, F.:
Solubility of Li2CO3 in Na–K–Li–Cl brines from 20 to 90 ∘C,
J. Chem. Thermodyn.,
67, 74–82, https://doi.org/10.1016/j.jct.2013.07.024, 2013. a, b, c
Clarke, A. G. and Karani, G. N.:
Characterisation of the carbonate content of atmospheric aerosols,
J. Atmos. Chem.,
14, 119–128, https://doi.org/10.1007/BF00115228, 1992. a
Clegg, S., Whitfield, M., and Pitzer, K.:
Activity coefficients in electrolyte solutions,
edited by: Pitzer, K. S.,
CRC Press, 279–434, ISBN 9781351069472, 1991. a
Clegg, S. L., Brimblecombe, P., and Wexler, A. S.:
Thermodynamic model of the system H+–
Clegg, S. L., Brimblecombe, P., and Wexler, A. S.:
Thermodynamic model of the system H+–
Dall´Osto, M., Simo, R., Harrison, R. M., Beddows, D. C. S., Saiz-Lopez, A., Lange, R., Skov, H., Nøjgaard, J. K., Nielsen, I. E., and Massling, A.:
Abiotic and biotic sources influencing spring new particle formation in North East Greenland,
Atmos. Environ.,
190, 126–134, https://doi.org/10.1016/j.atmosenv.2018.07.019, 2018. a
De Visscher, A., Vanderdeelen, J., Königsberger, E., Churagulov, B. R., Ichikuni, M., and Tsurumi, M.:
IUPAC-NIST Solubility Data Series. 95. Alkaline Earth Carbonates in Aqueous Systems. Part 1. Introduction, Be and Mg,
J. Phys. Chem. Ref. Data,
41, 013105–013105, https://doi.org/10.1063/1.3675992, 2012. a, b, c
Decesari, S., Facchini, M. C., Fuzzi, S., and Tagliavini, E.:
Characterization of water-soluble organic compounds in atmospheric aerosol: A new approach,
J. Geophys. Res.-Atmos.,
105, 1481–1489, https://doi.org/10.1029/1999JD900950, 2000. a
Dentener, F. J., Carmichael, G. R., Zhang, Y., Lelieveld, J., and Crutzen, P. J.:
Role of mineral aerosol as a reactive surface in the global troposphere,
J. Geophys. Res.-Atmos.,
101, 22869–22889, https://doi.org/10.1029/96JD01818, 1996. a
Dlugokencky, E. and Tans, P.: Trends in Atmospheric Carbon Dioxide, National Oceanic & Atmospheric Administration, Earth System Research
Laboratory (NOAA/ESRL), available at: https://gml.noaa.gov/ccgg/trends/, last access: 6 July 2021. a
Donahue, N. M., Epstein, S. A., Pandis, S. N., and Robinson, A. L.: A two-dimensional volatility basis set: 1. organic-aerosol mixing thermodynamics, Atmos. Chem. Phys., 11, 3303–3318, https://doi.org/10.5194/acp-11-3303-2011, 2011. a
Dong, M., Cheng, W., Li, Z., and Demopoulos, G. P.:
Solubility and Stability of Nesquehonite (MgCO3 ⋅ 3H2O) in NaCl, KCl, MgCl2, and NH4Cl Solutions,
J. Chem. Eng. Data,
53, 2586–2593, https://doi.org/10.1021/je800438p, 2008. a, b
Dong, M., Li, Z., Mi, J., and Demopoulos, G. P.:
Solubility and Stability of Nesquehonite (MgCO3 ⋅ 3H2O) in Mixed NaCl + MgCl2, NH4Cl + MgCl2, LiCl, and LiCl + MgCl2 Solutions,
J. Chem. Eng. Data,
54, 3002–3007, https://doi.org/10.1021/je900054j, 2009. a, b, c
Duce, R. A., Woodcock, A. H., and Moyers, J. L.:
Variation of ion ratios with size among particles in tropical oceanic air,
Tellus,
19, 369–379, https://doi.org/10.3402/tellusa.v19i3.9806, 1967. a
Durig, J. R., Bonner, O. D., and Breazeale, W. H.:
Raman Studies of Iodic Acid and Sodium Iodate,
J. Phys. Chem.,
69, 3886–3892, https://doi.org/10.1021/j100895a041, 1965. a, b, c, d
Ellingboe, J. L. and Runnels, J. H.:
Solubilities of Sodium Carbonate and Sodium Bicarbonate in Acetone–Water and Methanol–Water Mixtures,
J. Chem. Eng. Data,
11, 323–324, https://doi.org/10.1021/je60030a009, 1966. a
Fossum, K. N., Ovadnevaite, J., Ceburnis, D., Dall'Osto, M., Marullo, S., Bellacicco, M., Simó, R., Liu, D., Flynn, M., Zuend, A., and O'Dowd, C.:
Summertime Primary and Secondary Contributions to Southern Ocean Cloud Condensation Nuclei,
Sci. Rep.-UK,
8, 13844, https://doi.org/10.1038/s41598-018-32047-4, 2018. a
Fossum, K. N., Ovadnevaite, J., Ceburnis, D., Preißler, J., Snider, J. R., Huang, R.-J., Zuend, A., and O'Dowd, C.:
Sea-spray regulates sulfate cloud droplet activation over oceans,
npj Clim. Atmos. Sci.,
3, 14, https://doi.org/10.1038/s41612-020-0116-2, 2020. a
Fountoukis, C. and Nenes, A.: ISORROPIA II: a computationally efficient thermodynamic equilibrium model for K+–Ca2+–Mg2+–
Fredenslund, A., Jones, R. L., and Prausnitz, J. M.:
Group-contribution estimation of activity coefficients in nonideal liquid mixtures,
AIChE J.,
21, 1086–1099, https://doi.org/10.1002/aic.690210607, 1975. a
Fu, C., Song, W., Yi, C., and Xie, S.:
Creating efficient novel aqueous two-phase systems: Salting-out effect and high solubility of salt,
Fluid Phase Equilibr.,
490, 77–85, https://doi.org/10.1016/j.fluid.2019.03.002, 2019. a
Fu, C., Li, Z., Song, W., Yi, C., and Xie, S.:
A new process for separating biofuel based on the salt + 1-butanol + water system,
Fuel,
278, 118402, https://doi.org/10.1016/j.fuel.2020.118402, 2020. a
Ganbavale, G., Zuend, A., Marcolli, C., and Peter, T.: Improved AIOMFAC model parameterisation of the temperature dependence of activity coefficients for aqueous organic mixtures, Atmos. Chem. Phys., 15, 447–493, https://doi.org/10.5194/acp-15-447-2015, 2015. a
Gelbach, R. W.:
The Activity Coefficients and Transference Numbers of Potassium Iodide,
J. Am. Chem. Soc.,
55, 4857–4860, https://doi.org/10.1021/ja01339a020, 1933. a
Gerlach, T. and Smirnova, I.:
Liquid–Liquid Equilibria of Quaternary Systems Composed of 1,3-Propanediol, Short-Chain Alcohol, Water, and Salt,
J. Chem. Eng. Data,
61, 3548–3558, https://doi.org/10.1021/acs.jced.6b00472, 2016. a
Gettelman, A.: Putting the clouds back in aerosol–cloud interactions, Atmos. Chem. Phys., 15, 12397–12411, https://doi.org/10.5194/acp-15-12397-2015, 2015. a
Gilfedder, B. S., Chance, R., Dettmann, U., Lai, S. C., and Baker, A. R.:
Determination of total and non-water soluble iodine in atmospheric aerosols by thermal extraction and spectrometric detection (TESI),
Anal. Bioanal. Chem.,
398, 519–526, https://doi.org/10.1007/s00216-010-3923-1, 2010. a, b
Gillette, D. A., Stensland, G. J., Williams, A. L., Barnard, W., Gatz, D., Sinclair, P. C., and Johnson, T. C.:
Emissions of alkaline elements calcium, magnesium, potassium, and sodium from open sources in the contiguous United States,
Global Biogeochem. Cy.,
6, 437–457, https://doi.org/10.1029/91GB02965, 1992. a
Glasstone, S., Dimond, D. W., and Jones, E. C.:
CCCXCI.–Solubility influences. Part II. The effect of various salts on the solubility of ethyl acetate in water,
J. Chem. Soc., 129, 2935–2939, https://doi.org/10.1039/JR9262902935, 1926. a
Goeller, G. M. and Osol, A.:
The Salting-out of Molecular Benzoic Acid in Aqueous Salt Solutions at 35∘,
J. Am. Chem. Soc.,
59, 2132–2134, https://doi.org/10.1021/ja01290a013, 1937. a, b
Goldberg, R. N.:
Evaluated activity and osmotic coefficients for aqueous solutions: thirty-six uni-bivalent electrolytes,
J. Phys. Chem. Ref. Data,
10, 671–764, https://doi.org/10.1063/1.555646, 1981. a
Goldberg, R. N. and Nuttall, R. L.:
Evaluated activity and osmotic coefficients for aqueous solutions: The alkaline earth metal halides,
J. Chem. Eng. Data,
7, 263–310, https://doi.org/10.1063/1.555569, 1978. a, b, c, d
Goldman, S., Bates, R. G., and Robinson, R. A.:
Osmotic coefficients and activity coefficients of lodic acid at high concentrations,
J. Solution Chem.,
3, 593–602, https://doi.org/10.1007/BF00650403, 1974. a, b, c
Goldstein, A. H. and Galbally, I. E.:
Known and Unexplored Organic Constituents in the Earth's Atmosphere,
Environ. Sci. Technol.,
41, 1514–1521, https://doi.org/10.1021/es072476p, 2007. a
Gomes, L. and Gillette, D. A.:
A comparison of characteristics of aerosol from dust storms in Central Asia with soil-derived dust from other regions,
Atmos. Environ. A-Gen.,
27, 2539–2544, https://doi.org/10.1016/0960-1686(93)90027-V, 1993. a, b, c
Gorkowski, K., Donahue, N. M., and Sullivan, R. C.:
Emulsified and Liquid–Liquid Phase-Separated States of α-Pinene Secondary Organic Aerosol Determined Using Aerosol Optical Tweezers,
Environ. Sci. Technol.,
51, 12154–12163, https://doi.org/10.1021/acs.est.7b03250, 2017. a
Gregoriou, G. A., Ioannou-Kakouri, H., Dais, P. J., and Scordou-Matinopoulos, A.:
The question of the measure of electrolytes in organic reactions. Calculation of activity coefficients of electrolytes in solvolytic media,
J. Chem. Soc. Perk. T. 2,
p. 1552, https://doi.org/10.1039/p29790001552, 1979. a
Harned, H. S.:
The Electromotive Forces of Uni-univalent Halides in Concentrated Aqueous Solutions,
J. Am. Chem. Soc.,
51, 416–427, https://doi.org/10.1021/ja01377a011, 1929. a, b, c, d
Hersey, S. P., Craven, J. S., Metcalf, A. R., Lin, J., Lathem, T., Suski, K. J., Cahill, J. F., Duong, H. T., Sorooshian, A., Jonsson, H. H., Shiraiwa, M., Zuend, A., Nenes, A., Prather, K. A., Flagan, R. C., and Seinfeld, J. H.:
Composition and hygroscopicity of the Los Angeles Aerosol: CalNex,
J. Geophys. Res.-Atmos.,
118, 3016–3036, https://doi.org/10.1002/jgrd.50307, 2013. a
Hetzer, H. B., Robinson, R. A., and Bates, R. G.:
Thermodynamics of Aqueous Solutions of Hydriodic Acid from Electromotive Force Measurements of Hydrogen-Silver Iodide Cells,
J. Phys. Chem.,
68, 1929–1933, https://doi.org/10.1021/j100789a043, 1964. a
Hiaki, T. and Kawai, A.:
Vapor–liquid equilibria determination for a hydrofluoroether with several alcohols,
Fluid Phase Equilibr.,
158–160, 979–989, https://doi.org/10.1016/S0378-3812(99)00064-3, 1999. a
Hill, A. E. and Ricci, J. E.:
Ternary Systems. XI. Magnesium Iodate, Sodium Iodate and Water. XII. Sodium Iodate, Potassium Iodate and Water. XIII. Potassium Iodate, Potassium Chloride and Water. XIV. Potassium Iodate, Potassium Sulfate and Water,
J. Am. Chem. Soc.,
53, 4305–4315, https://doi.org/10.1021/ja01363a007, 1931. a, b
Huang, Y., Mahrt, F., Xu, S., Shiraiwa, M., Zuend, A., and Bertram, A. K.:
Coexistence of three liquid phases in individual atmospheric aerosol particles,
P. Natl. Acad. Scie. USA,
118, e2102512118, https://doi.org/10.1073/pnas.2102512118, 2021. a
Il'In, K. K. and Cherkasov, D. G.:
Solid–Liquid and Solid–Liquid–Liquid Equilibria in the KI + H2O + i-C3H7OH Ternary System within 10–120 ∘C,
Chem. Eng. Commun.,
203, 642–648, https://doi.org/10.1080/00986445.2015.1076802, 2016. a
Iliuta, M. C. and Thyrion, F. C.:
Vapour–liquid equilibrium for the acetone–methanol–inorganic salt system,
Fluid Phase Equilibr.,
103, 257–284, https://doi.org/10.1016/0378-3812(94)02586-P, 1995. a, b, c, d
Janado, M., Yano, Y., Doi, Y., and Sakamoto, H.:
Peculiar effects of alkali thiocyanates on the activity coefficients of aromatic hydrocarbons in water,
J. Solution Chem.,
12, 741–754, https://doi.org/10.1007/BF00647385, 1983. a, b
Ji, X., Lu, X., Lin, W., Zhang, L., Wang, Y., Shi, J., and Lu, B. C. Y.:
Mean activity coefficients of NaCl in (sodium chloride + sodium bicarbonate + water) from T = (293.15 to 308.15) K,
J. Chem. Thermodyn.,
33, 1107–1120, https://doi.org/10.1006/jcht.2000.0827, 2001. a, b
Kacperska, A.:
Solubilities of Sodium and Potassium Iodides in Water-n-Propyl Alcohol Mixtures at 25 ∘C,
Phys. Chem. Liq.,
26, 273–280, https://doi.org/10.1080/00319109408029500, 1994. a, b
Kielland, J.:
Individual Activity Coefficients of Ions in Aqueous Solutions,
J. Am. Chem. Soc.,
59, 1675–1678, https://doi.org/10.1021/ja01288a032, 1937. a
Kim, S. H., Anantpinijwatna, A., Kang, J. W., and Gani, R.:
Analysis and modeling of alkali halide aqueous solutions,
Fluid Phase Equilibr.,
412, 177–198, https://doi.org/10.1016/j.fluid.2015.12.008, 2016. a
Kiriukhin, M. Y. and Collins, K. D.:
Dynamic hydration numbers for biologically important ions,
Biophys. Chem.,
99, 155–168, https://doi.org/10.1016/S0301-4622(02)00153-9, 2002. a, b
Koenig, T. K., Baidar, S., Campuzano-Jost, P., Cuevas, C. A., Dix, B., Fernandez, R. P., Guo, H., Hall, S. R., Kinnison, D., Nault, B. A., Ullmann, K., Jimenez, J. L., Saiz-Lopez, A., and Volkamer, R.:
Quantitative detection of iodine in the stratosphere,
P. Natl. Acad. Scie. USA,
117, 1860–1866, https://doi.org/10.1073/pnas.1916828117, 2020. a
Krieger, U. K., Marcolli, C., and Reid, J. P.:
Exploring the complexity of aerosol particle properties and processes using single particle techniques,
Chem. Soc. Rev.,
41, 6631–6662, https://doi.org/10.1039/C2CS35082C, 2012. a, b
Kroll, J. H., Donahue, N. M., Jimenez, J. L., Kessler, S. H., Canagaratna, M. R., Wilson, K. R., Altieri, K. E., Mazzoleni, L. R., Wozniak, A. S., Bluhm, H., Mysak, E. R., Smith, J. D., Kolb, C. E., and Worsnop, D. R.:
Carbon oxidation state as a metric for describing the chemistry of atmospheric organic aerosol,
Nat. Chem.,
3, 133–139, https://doi.org/10.1038/nchem.948, 2011. a
Kumar, R., Saunders, R. W., Mahajan, A. S., Plane, J. M. C., and Murray, B. J.: Physical properties of iodate solutions and the deliquescence of crystalline I2O5 and HIO3, Atmos. Chem. Phys., 10, 12251–12260, https://doi.org/10.5194/acp-10-12251-2010, 2010. a, b, c
Kusik, C. L. and Meissner, H. P.:
Electrolytic activity coefficients in inorganic processing,
AIChE Sym. S.,
74, 14–20, 1978. a
Lee, S. H., Murphy, D. M., Thomson, D. S., and Middlebrook, A. M.:
Chemical components of single particles measured with Particle Analysis by Laser Mass Spectrometry (PALMS) during the Atlanta SuperSite Project: Focus on organic/sulfate, lead, soot, and mineral particles,
J. Geophys. Res.-Atmos.,
107, 4003, https://doi.org/10.1029/2000JD000011, 2002. a
Li, J. D., Polka, H. M., and Gmehling, J.:
A gE model for single and mixed-solvent electrolyte systems. 1. Model and results for strong electrolytes,
Fluid Phase Equilibr.,
94, 89–114, https://doi.org/10.1016/0378-3812(94)87052-7, 1994. a
Li, W., Sun, D., Zhang, T., Dai, S., Pan, F., and Zhang, Z.:
Separation of acetone and methanol azeotropic system using ionic liquid as entrainer,
Fluid Phase Equilibr.,
383, 182–187, https://doi.org/10.1016/j.fluid.2014.10.011, 2014. a
Li, W., Yin, H., Guo, H., Li, J., and Zhang, T.:
Separation abilities of three acetate-based ionic liquids for benzene-methanol mixture through vapor-liquid equilibrium experiment at 101.3 kPa,
Fluid Phase Equilibr.,
492, 80–87, https://doi.org/10.1016/j.fluid.2019.03.022, 2019. a
Liu, W., Wang, J., Zhuo, K., Wang, C., and Lu, J.:
Salt effect in nonaqueous mixed solvent systems,
Acta Chim. Sinica,
56, 21–31, https://doi.org/10.3321/j.issn:0567-7351.1998.01.004, 1998. a, b
Lohmann, U. and Feichter, J.: Global indirect aerosol effects: a review, Atmos. Chem. Phys., 5, 715–737, https://doi.org/10.5194/acp-5-715-2005, 2005. a
Loÿe-Pilot, M. D., Martin, J. M., and Morelli, J.:
Influence of Saharan dust on the rain acidity and atmospheric input to the Mediterranean,
Nature,
321, 427–428, https://doi.org/10.1038/321427a0, 1986. a
Macy, R. and Thomas, E. W.:
The System: Sodium Iodide–Acetone–Water,
J. Am. Chem. Soc.,
48, 1547–1550, https://doi.org/10.1021/ja01417a015, 1926. a
Mamontov, M. N. and Gorbachev, A. V.:
The thermodynamic properties of lithium carbonate aqueous solution studied by the potentiometric method,
J. Chem. Thermodyn.,
148, 106146, https://doi.org/10.1016/j.jct.2020.106146, 2020. a
Marcolli, C. and Krieger, U. K.:
Phase changes during hygroscopic cycles of mixed organic/inorganic model systems of tropospheric aerosols,
J. Phys. Chem. A,
110, 1881–1893, https://doi.org/10.1021/jp0556759, 2006. a
Marcus, Y.:
A simple empirical model describing the thermodynamics of hydration of ions of widely varying charges, sizes, and shapes,
Biophys. Chem.,
51, 111–127, https://doi.org/10.1016/0301-4622(94)00051-4, 1994. a, b
Marion, G. M.:
Carbonate mineral solubility at low temperatures in the Na-K-Mg-Ca-H-Cl-SO4-OH-HCO3-CO3-CO2-H2O system,
Geochim. Cosmochim. Ac.,
65, 1883–1896, https://doi.org/10.1016/S0016-7037(00)00588-3, 2001. a
Mato, F. and Cocero, M. J.:
Measurement of vapor pressures of electrolyte solutions by vapor pressure osmometry,
J. Chem. Eng. Data,
33, 38–39, https://doi.org/10.1021/je00051a013, 1988. a, b
McGlashan, M. L.:
Deviations from Raoult's law,
J. Chem. Educ.,
40, 516–518, https://doi.org/10.1021/ed040p516, 1963. a, b
Miñambres, L., Méndez, E., Sánchez, M. N., Castaño, F., and Basterretxea, F. J.:
Water uptake properties of internally mixed sodium halide and succinic acid particles,
Atmos. Environ.,
45, 5896–5902, https://doi.org/10.1016/j.atmosenv.2011.06.062, 2011. a
Millero, F. J., Milne, P. J., and Thurmond, V. L.:
The solubility of calcite, strontianite and witherite in NaCl solutions at 25 ∘C,
Geochim. Cosmochim. Ac.,
48, 1141–1143, https://doi.org/10.1016/0016-7037(84)90205-9, 1984. a
Murphy, D. M. and Thomson, D. S.:
Chemical composition of single aerosol particles at Idaho Hill: Negative ion measurements,
J. Geophys. Res.-Atmos.,
102, 6353–6368, https://doi.org/10.1029/96JD00858, 1997. a
Murray, B. J., Haddrell, A. E., Peppe, S., Davies, J. F., Reid, J. P., O'Sullivan, D., Price, H. C., Kumar, R., Saunders, R. W., Plane, J. M. C., Umo, N. S., and Wilson, T. W.: Glass formation and unusual hygroscopic growth of iodic acid solution droplets with relevance for iodine mediated particle formation in the marine boundary layer, Atmos. Chem. Phys., 12, 8575–8587, https://doi.org/10.5194/acp-12-8575-2012, 2012. a, b
Nasehzadeh, A., Noroozian, E., and Omrani, H.:
Experimental and theoretical studies of thermodynamics of lithium halide solutions – ethanol mixtures,
J. Chem. Thermodyn.,
36, 245–252, https://doi.org/10.1016/j.jct.2003.12.002, 2004. a, b
Nasirzadeh, K., Neueder, R., and Kunz, W.:
Vapor Pressures and Osmotic Coefficients of Aqueous LiOH Solutions at Temperatures Ranging from 298.15 to 363.15 K,
Ind. Eng. Chem. Res.,
44, 3807–3814, https://doi.org/10.1021/ie0489148, 2005. a
Onasch, T. B., McGraw, R., and Imre, D.:
Temperature-Dependent Heterogeneous Efflorescence of Mixed Ammonium Sulfate/Calcium Carbonate Particles,
J. Phys. Chem. A,
104, 10797–10806, https://doi.org/10.1021/jp0024064, 2000. a
Ovadnevaite, J., Zuend, A., Laaksonen, A., Sanchez, K. J., Roberts, G., Ceburnis, D., Decesari, S., Rinaldi, M., Hodas, N., Facchini, M. C., Seinfeld, J. H., and O' Dowd, C.:
Surface tension prevails over solute effect in organic-influenced cloud droplet activation,
Nature,
546, 637–641, https://doi.org/10.1038/nature22806, 2017. a, b, c
Pankow, J. F.:
Gas/particle partitioning of neutral and ionizing compounds to single and multi-phase aerosol particles. 1. Unified modeling framework,
Atmos. Environ.,
37, 3323–3333, https://doi.org/10.1016/S1352-2310(03)00346-7, 2003. a
Partanen, J. I.:
Re-evaluation of the Thermodynamic Activity Quantities in Aqueous Alkali Metal Iodide Solutions at 25 ∘C,
J. Chem. Eng. Data,
55, 3708–3719, https://doi.org/10.1021/je100250n, 2010. a, b
Patil, K. R., Tripathi, A. D., Pathak, G., and Katti, S. S.:
Thermodynamic properties of aqueous electrolyte solutions. 1. Vapor pressure of aqueous solutions of LICI, LiBr, and LiI,
J. Chem. Eng. Data,
35, 166–168, https://doi.org/10.1021/je00060a020, 1990. a
Pawar, R. R., Golait, S. M., Hasan, M., and Sawant, A. B.:
Solubility and Density of Potassium Iodide in a Binary Propan-1-ol–Water Solvent Mixture at (298.15, 303.15, 308.15, and 313.15) K,
J. Chem. Eng. Data,
55, 1314–1316, https://doi.org/10.1021/je9006426, 2010. a
Pawar, R. R., Aher, C. S., Pagar, J. D., Nikam, S. L., and Hasan, M.:
Solubility, Density and Solution Thermodynamics of NaI in Different Pure Solvents and Binary Mixtures,
J. Chem. Eng. Data,
57, 3563–3572, https://doi.org/10.1021/je300754n, 2012. a, b, c
Pearce, J. N. and Nelson, A. F.:
The vapor pressures of aqueous solutions of lithium nitrate and the activity coefficients of some alkali salts in solutions at high concentrations at 25 ∘C,
J. Am. Chem. Soc.,
54, 3544–3555, https://doi.org/10.1021/ja01348a008, 1932. a, b
Pechtl, S., Schmitz, G., and von Glasow, R.: Modelling iodide – iodate speciation in atmospheric aerosol: Contributions of inorganic and organic iodine chemistry, Atmos. Chem. Phys., 7, 1381–1393, https://doi.org/10.5194/acp-7-1381-2007, 2007. a
Peiper, J. C. and Pitzer, K. S.:
Thermodynamics of aqueous carbonate solutions including mixtures of sodium carbonate, bicarbonate, and chloride,
J. Chem. Thermodyn.,
14, 613–638, https://doi.org/10.1016/0021-9614(82)90078-7, 1982. a
Pethybridge, A. D. and Prue, J. E.:
Equilibria in aqueous solutions of iodic acid,
T. Faraday Soc.,
63, 2019–2033, https://doi.org/10.1039/TF9676302019, 1967. a
Pitzer, K. S.:
Activity Coefficients in Electrolyte Solutions,
CRC Press, Roca Raton, FL, USA, 1991. a
Pye, H. O. T., Zuend, A., Fry, J. L., Isaacman-VanWertz, G., Capps, S. L., Appel, K. W., Foroutan, H., Xu, L., Ng, N. L., and Goldstein, A. H.: Coupling of organic and inorganic aerosol systems and the effect on gas–particle partitioning in the southeastern US, Atmos. Chem. Phys., 18, 357–370, https://doi.org/10.5194/acp-18-357-2018, 2018. a, b, c
Pye, H. O. T., Nenes, A., Alexander, B., Ault, A. P., Barth, M. C., Clegg, S. L., Collett Jr., J. L., Fahey, K. M., Hennigan, C. J., Herrmann, H., Kanakidou, M., Kelly, J. T., Ku, I.-T., McNeill, V. F., Riemer, N., Schaefer, T., Shi, G., Tilgner, A., Walker, J. T., Wang, T., Weber, R., Xing, J., Zaveri, R. A., and Zuend, A.: The acidity of atmospheric particles and clouds, Atmos. Chem. Phys., 20, 4809–4888, https://doi.org/10.5194/acp-20-4809-2020, 2020. a, b, c
Raso, A. R. W., Custard, K. D., May, N. W., Tanner, D., Newburn, M. K., Walker, L., Moore, R. J., Huey, L. G., Alexander, L., Shepson, P. B., and Pratt, K. A.:
Active molecular iodine photochemistry in the Arctic,
P. Natl. Acad. Scie. USA,
114, 10053–10058, https://doi.org/10.1073/pnas.1702803114, 2017. a
Rastak, N., Pajunoja, A., Acosta Navarro, J. C., Ma, J., Song, M., Partridge, D. G., Kirkevåg, A., Leong, Y., Hu, W. W., Taylor, N. F., Lambe, A., Cerully, K., Bougiatioti, A., Liu, P., Krejci, R., Petäjä, T., Percival, C., Davidovits, P., Worsnop, D. R., Ekman, A. M. L., Nenes, A., Martin, S., Jimenez, J. L., Collins, D. R., Topping, D. O., Bertram, A. K., Zuend, A., Virtanen, A., and Riipinen, I.:
Microphysical explanation of the RH-dependent water affinity of biogenic organic aerosol and its importance for climate,
Geophys. Res. Lett.,
44, 5167–5177, https://doi.org/10.1002/2017GL073056, 2017. a, b
Renbaum-Wolff, L., Song, M., Marcolli, C., Zhang, Y., Liu, P. F., Grayson, J. W., Geiger, F. M., Martin, S. T., and Bertram, A. K.: Observations and implications of liquid–liquid phase separation at high relative humidities in secondary organic material produced by α-pinene ozonolysis without inorganic salts, Atmos. Chem. Phys., 16, 7969–7979, https://doi.org/10.5194/acp-16-7969-2016, 2016. a
Revie, R. W. and Uhlig, H. H.:
Corrosion and Corrosion Control – An Introduction to Corrosion Science and Engineering, 4th edn.,
John Wiley & Sons,
available at: https://app.knovel.com/hotlink/toc/id:kpCCCAICSK/corrosion-corrosion-control/corrosion-corrosion-control (last access: 6 May 2021), 2008. a
Ricci, J. E.:
The Ternary Systems KIO3-KBr-H2O and NaIO3-NaBr-H2O,
J. Am. Chem. Soc.,
56, 290–295, https://doi.org/10.1021/ja01317a007, 1934. a, b
Ricci, J. E.:
The Ternary Systems KClO3-KBr-H2O, KClO3-KI-H2O and KIO3-KI-H2O at 25∘,
J. Am. Chem. Soc.,
59, 866–867, https://doi.org/10.1021/ja01284a029, 1937. a
Robinson, R. A.:
The Activity Coefficients of the Alkali Bromides and Iodides in Aqueous Solution from Vapor Pressure Measurements,
J. Am. Chem. Soc.,
57, 1161–1165, https://doi.org/10.1021/ja01310a004, 1935. a, b
Robinson, R. A. and Harned, H. S.:
Some Aspects of the Thermodynamics of Strong Electrolytes from Electromotive Force and Vapor Pressure Measurements,
Chem. Rev.,
28, 419–476, https://doi.org/10.1021/cr60091a001, 1941. a
Robinson, R. A. and Macaskill, J. B.:
Osmotic coefficients of aqueous sodium carbonate solutions at 25 ∘C,
J. Solution Chem.,
8, 35–40, https://doi.org/10.1007/BF00646807, 1979. a
Robinson, R. A. and Sinclair, D. A.:
The Activity Coefficients of the Alkali Chlorides and of Lithium Iodide in Aqueous Solution from Vapor Pressure Measurements,
J. Am. Chem. Soc.,
56, 1830–1835, https://doi.org/10.1021/ja01324a003, 1934. a
Robinson, R. A., Stokes, R. H., and Wilson, J. M.:
A thermodynamic study of bivalent metal halides in aqueous solution,
T. Faraday Soc.,
36, 733–748, https://doi.org/10.1039/TF9403600733, 1940. a, b, c
Roy, R. N., Gibbons, J. J., Williams, R., Godwin, L., Baker, G., Simonson, J. M., and Pitzer, K. S.:
The thermodynamics of aqueous carbonate solutions II. Mixtures of potassium carbonate, bicarbonate, and chloride,
J. Chem. Thermodyn.,
16, 303–315, https://doi.org/10.1016/0021-9614(84)90170-8, 1984. a, b, c
Roy, R. N., Hufford, K., Lord, P. J., Mrad, D. R., Roy, L. N., and Johnson, D. A.:
The first acidity constant of carbon dioxide in solutions of ammonium chloride from e.m.f. measurements at 278.15 to 318.15 K,
J. Chem. Thermodyn.,
20, 63–77, https://doi.org/10.1016/0021-9614(88)90210-8, 1988. a
Safarov, J. T.:
Vapor Pressure Measurements of LiI + C2H5OH Solutions,
Z. Phys. Chem.,
219, 1133–1144, https://doi.org/10.1524/zpch.2005.219.8.1133, 2005. a
Saiz-Lopez, A., Plane, J. M., Baker, A. R., Carpenter, L. J., von Glasow, R., Martín, J. C., McFiggans, G., and Saunders, R. W.:
Atmospheric Chemistry of Iodine,
Chem. Rev.,
112, 1773–804, https://doi.org/10.1021/cr200029u, 2012. a, b, c, d
Salabat, A. and Hashemi, M.:
Liquid–liquid equilibria for aliphatic alcohols + water + potassium carbonate systems; experiment and correlation,
Phys. Chem. Liq.,
45, 231–239, https://doi.org/10.1080/10683160500520502, 2007. a
Sarbar, M., Covington, A. K., Nuttall, R. L., and Goldberg, R. N.:
The activity and osmotic coefficients of aqueous sodium bicarbonate solutions,
J. Chem. Thermodyn.,
14, 967–976, https://doi.org/10.1016/0021-9614(82)90006-4, 1982a. a, b
Sarbar, M., Covington, A. K., Nuttall, R. L., and Goldberg, R. N.:
Activity and osmotic coefficients of aqueous potassium carbonate,
J. Chem. Thermodyn.,
14, 695–702, https://doi.org/10.1016/0021-9614(82)90085-4, 1982b. a
Saxena, P. and Hildemann, L.:
Water-soluble organics in atmospheric particles: A critical review of the literature and application of thermodynamics to identify candidate compounds,
J. Atmos. Chem.,
24, 57–109, https://doi.org/10.1007/BF00053823, 1996. a
Seto, F. Y. B. and Duce, R. A.:
A laboratory study of iodine enrichment on atmospheric sea-salt particles produced by bubbles,
J. Geophys. Res.,
77, 5339–5349, https://doi.org/10.1029/JC077i027p05339, 1972. a
Sharygin, A. V. and Wood, R. H.:
Densities of aqueous solutions of sodium carbonate and sodium bicarbonate at temperatures from (298 to 623) K and pressures to 28 MPa,
J. Chem. Thermodyn.,
30, 1555–1570, https://doi.org/10.1006/jcht.1998.0426, 1998. a
Smith, M. L., Kuwata, M., and Martin, S. T.:
Secondary Organic Material Produced by the Dark Ozonolysis of α-Pinene Minimally Affects the Deliquescence and Efflorescence of Ammonium Sulfate,
Aerosol Sci. Technol.,
45, 244–261, https://doi.org/10.1080/02786826.2010.532178, 2011. a
Song, M., Marcolli, C., Krieger, U. K., Zuend, A., and Peter, T.: Liquid-liquid phase separation and morphology of internally mixed dicarboxylic acids/ammonium sulfate/water particles, Atmos. Chem. Phys., 12, 2691–2712, https://doi.org/10.5194/acp-12-2691-2012, 2012. a
Soonsin, V., Zardini, A. A., Marcolli, C., Zuend, A., and Krieger, U. K.: The vapor pressures and activities of dicarboxylic acids reconsidered: the impact of the physical state of the aerosol, Atmos. Chem. Phys., 10, 11753–11767, https://doi.org/10.5194/acp-10-11753-2010, 2010. a, b, c
Stokes, R. H.:
Isopiestic Vapor Pressure Measurements on Concentrated Solutions of Sodium Hydroxide at 25∘,
J. Am. Chem. Soc.,
67, 1689–1691, https://doi.org/10.1021/ja01226a022, 1945. a, b
Stokes, R. H.:
A thermodynamic study of bivalent metal halides in aqueous solution. Part XVII–revision of data for all 2:1 and 1:2 electrolytes at 25∘, and discussion of results,
T. Faraday Soc.,
44, 295–307, https://doi.org/10.1039/TF9484400295, 1948. a, b, c
Stokes, R. H. and Robinson, R. A.:
Interactions in aqueous nonelectrolyte solutions, I. Solute-solvent equilibria,
J. Phys. Chem.,
70, 2126–2130, https://doi.org/10.1021/j100879a010, 1966. a
Sugunan, S. and Thomas, B.:
Salting coefficient of hydroxybenzoic acids,
Indian J. Chem. A,
34, 134–136, 1995. a
Sun, R.:
Effect of Salt on Relative Volatility of Binary Solution,
J. Chem. Ind. Eng. (China),
36, 204–214, 1985. a
Sun, R.:
Molecular thermodynamics of salt effect in vapor-liquid equilibrium–calculation of isobaric VLE salt effect parameters for ethanol-water-1-1 type electrolytic systems,
J. Chem. Ind. Eng. (China),
47, 401–409, 1996. a
Sun, X., Sun, Q., and Sun, R.:
Determination and calculation of salt effect parameters in vapor – liquid equilibrium of polar – nonpolar binary solution,
Chem. Res.,
11, 17–22, https://doi.org/10.14002/j.hxya.2000.02.005, 2000. a
Sviridenkov, M. A., Gillette, D. A., Isakov, A. A., Sokolik, I. N., Smirnov, V. V., Belan, B. D., Pachenko, M. V., Andronova, A. V., Kolomiets, S. M., Zhukov, V. M., and Zhukovsky, D. A.:
Size distributions of dust aerosol measured during the Soviet-American experiment in Tadzhikistan, 1989,
Atmos. Environ. A-Gen.,
27, 2481–2486, https://doi.org/10.1016/0960-1686(93)90019-U, 1993. a
Tegen, I., Lacis, A. A., and Fung, I.:
The influence on climate forcing of mineral aerosols from disturbed soils,
Nature,
380, 419–422, https://doi.org/10.1038/380419a0, 1996. a
Tsukada, H., Hara, H., Iwashima, K., and Yamagata, N.:
The Iodine Content of Atmospheric Aerosols as Determined by the Use of a Fluoropore Filter for Collection,
B. Chem. Soc. Jpn.,
60, 3195–3198, https://doi.org/10.1246/bcsj.60.3195, 1987. a
Tu, C.-H., Wu, Y.-S., and Liu, T.-L.:
Vapor-liquid equilibria of the binary systems formed by methanol, acetone and methyl vinyl ketone at 100.0 ± 0.2 kPa,
Fluid Phase Equilibr.,
129, 129–137, https://doi.org/10.1016/S0378-3812(96)03183-4, 1997. a
Vanderzee, C. E.:
Thermodynamic properties of solutions of a hydrolyzing electrolyte: relative partial molar enthalpies and heat capacities, solvent activities, osmotic coefficients, and solute activity coefficients of aqueous sodium carbonate,
J. Chem. Thermodyn.,
14, 1051–1067, https://doi.org/10.1016/0021-9614(82)90149-5, 1982. a
Veghte, D. P., Altaf, M. B., and Freedman, M. A.:
Size Dependence of the Structure of Organic Aerosol,
J. Am. Chem. Soc.,
135, 16046–16049, https://doi.org/10.1021/ja408903g, 2013. a
Wang, J., Wu, X., and Zhang, S.:
Development of a thermodynamic model for the Li2CO3-NaCl-Na2SO4-H2O system and its application,
J. Chem. Thermodyn.,
123, 62–73, https://doi.org/10.1016/j.jct.2018.03.027, 2018. a, b
Wexler, A. S. and Clegg, S. L.:
Atmospheric aerosol models for systems including the ions H+,
Xie, S., Song, W., Fu, C., Yi, C., and Qiu, X.:
Separation of acetone: From a water miscible system to an efficient aqueous two-phase system,
Sep. Purif. Technol.,
192, 55–61, https://doi.org/10.1016/j.seppur.2017.09.056, 2018. a
Xu, S., Xie, Z., Li, B., Liu, W., Sun, L., Kang, H., Yang, H., and Zhang, P.:
Iodine speciation in marine aerosols along a 15 000-km round-trip cruise path from Shanghai, China, to the Arctic Ocean,
Environ. Chem.,
7, 406–412, https://doi.org/10.1071/EN10048, 2010. a
Yamamoto, H., Fukase, K., and Shibata, J.:
Vapor–Liquid Equilibria for Alcohol + Alcohol + Sodium Iodide at 298.15 K,
J. Chem. Eng. Data,
42, 414, https://doi.org/10.1021/je9603640, 1997. a
Yan, W. D., Topphoff, M., Rose, C., and Gmehling, J.:
Prediction of vapor–liquid equilibria in mixed-solvent electrolyte systems using the group contribution concept,
Fluid Phase Equilibr.,
162, 97–113, https://doi.org/10.1016/S0378-3812(99)00201-0, 1999. a
Yang, L., Zhuo, K., Zhao, Y., and Wang, J.:
Thermodynamics of the Interaction between Electrolyte (CaCl2, NaCl, NaBr, NaI) and Monosaccharide (D-mannose, D-ribose) in Water at 298.15 K,
Z. Phys. Chem.,
218, 349–362, https://doi.org/10.1524/zpch.218.3.349.26494, 2004. a, b
Yang, M., Leng, C., Li, S., and Sun, R.:
Study of activity coefficients for sodium iodide in (methanol + benzene) system by (vapour + liquid) equilibrium measurements,
J. Chem. Thermodyn.,
39, 49–54, https://doi.org/10.1016/j.jct.2006.06.002, 2007. a
Yin, L., Zhao, H., Chen, G., Xu, Y., Chen, Y., and Li, Y.:
Experimental results for fluid phase equilibria of (n-propanol + water + salt) and comparison with predictions,
Desalin. Water Treat.,
132, 144–149, https://doi.org/10.5004/dwt.2018.23128, 2018. a
Young, T. F., Maranville, L. F., and Smith, H. M.:
Raman Spectral Investigations of Ionic Equilibria in
Solutions of Strong Electrolytes, in: The Structure of Electrolytic Solutions, Wiley, New York, USA, 441 pp., ISBN 9780598639080, 1959. a
Zafarani-Moattar, M. T. and Jahanbin-Sardroodi, J.:
Isopiestic determination of osmotic coefficients and evaluation of vapor pressures for electrolyte solutions of some lithium salts in ethanol,
Fluid Phase Equilibr.,
166, 207–223, https://doi.org/10.1016/S0378-3812(99)00293-9, 1999. a
Zardini, A. A., Sjogren, S., Marcolli, C., Krieger, U. K., Gysel, M., Weingartner, E., Baltensperger, U., and Peter, T.: A combined particle trap/HTDMA hygroscopicity study of mixed inorganic/organic aerosol particles, Atmos. Chem. Phys., 8, 5589–5601, https://doi.org/10.5194/acp-8-5589-2008, 2008. a
Zaveri, R. A., Easter, R. C., Fast, J. D., and Peters, L. K.:
Model for Simulating Aerosol Interactions and Chemistry (MOSAIC),
J. Geophys. Res.-Atmos.,
113, D13204, https://doi.org/10.1029/2007JD008782, 2008. a, b
Zdanovskii, A. B.:
Novyi metod rascheta rastvorimostei elektrolitov v mnogokomponentny sistema. 1. (New methods of calculating solubilities of electrolytes in multicomponent systems, 1.),
Zh. Fiz. Khim.+,
22, 1478–1485, 1948. a
Zhang, Q., Jimenez, J. L., Canagaratna, M. R., Allan, J. D., Coe, H., Ulbrich, I., Alfarra, M. R., Takami, A., Middlebrook, A. M., Sun, Y. L., Dzepina, K., Dunlea, E., Docherty, K., DeCarlo, P. F., Salcedo, D., Onasch, T., Jayne, J. T., Miyoshi, T., Shimono, A., Hatakeyama, S., Takegawa, N., Kondo, Y., Schneider, J., Drewnick, F., Borrmann, S., Weimer, S., Demerjian, K., Williams, P., Bower, K., Bahreini, R., Cottrell, L., Griffin, R. J., Rautiainen, J., Sun, J. Y., Zhang, Y. M., and Worsnop, D. R.:
Ubiquity and dominance of oxygenated species in organic aerosols in anthropogenically-influenced Northern Hemisphere midlatitudes,
Geophys. Res. Lett.,
34, L13801, https://doi.org/10.1029/2007GL029979, 2007. a
Zhuo, K., Liu, H., Zhang, H., Liu, Y., and Wang, J.:
Activity Coefficients and Volumetric Properties for the NaI + Maltose + Water System at 298.15 K,
J. Chem. Eng. Data,
53, 57–62, https://doi.org/10.1021/je700366w, 2008. a, b
Zuend, A.: andizuend/AIOMFAC: AIOMFAC-web v3.02 (v3.02), Zenodo [code], https://doi.org/10.5281/zenodo.5866756, 2022. a
Zuend, A. and Seinfeld, J. H.: Modeling the gas-particle partitioning of secondary organic aerosol: the importance of liquid-liquid phase separation, Atmos. Chem. Phys., 12, 3857–3882, https://doi.org/10.5194/acp-12-3857-2012, 2012. a
Zuend, A., Marcolli, C., Peter, T., and Seinfeld, J. H.: Computation of liquid-liquid equilibria and phase stabilities: implications for RH-dependent gas/particle partitioning of organic-inorganic aerosols, Atmos. Chem. Phys., 10, 7795–7820, https://doi.org/10.5194/acp-10-7795-2010, 2010.
a
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. a, b, c, d, e, f, g, h, i, j
Zuend, A., Levac, N., and Seinfeld, J. H.: AIOMFAC-web website and online model, available at: https://aiomfac.lab.mcgill.ca (last access: 6 December 2021), 2012. a
Zuend, A., Yin, H., and Lilek, J.: AIOMFAC-web v3.00 – Public model code repository, GitHub [code], available at: https://github.com/andizuend/AIOMFAC, last access: 6 December 2021. a
Short summary
Iodine and carbonate species are important components in marine and dust aerosols, respectively. We introduce an extended version of the AIOMFAC thermodynamic mixing model, which includes the ions I−, IO3−, HCO3−, CO32−, OH−, and CO2(aq) as new species, and we discuss two methods for solving the carbonate dissociation equilibria numerically. We also present new experimental water activity data for aqueous iodide and iodate systems.
Iodine and carbonate species are important components in marine and dust aerosols, respectively....
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