Articles | Volume 17, issue 12
https://doi.org/10.5194/acp-17-7529-2017
https://doi.org/10.5194/acp-17-7529-2017
Research article
 | 
22 Jun 2017
Research article |  | 22 Jun 2017

Uncertain Henry's law constants compromise equilibrium partitioning calculations of atmospheric oxidation products

Chen Wang, Tiange Yuan, Stephen A. Wood, Kai-Uwe Goss, Jingyi Li, Qi Ying, and Frank Wania

Related authors

Source-dependent optical properties and molecular characteristics of atmospheric brown carbon
Jinghao Zhai, Yin Zhang, Pengfei Liu, Yujie Zhang, Antai Zhang, Yaling Zeng, Baohua Cai, Jingyi Zhang, Chunbo Xing, Honglong Yang, Xiaofei Wang, Jianhuai Ye, Chen Wang, Tzung-May Fu, Lei Zhu, Huizhong Shen, Shu Tao, and Xin Yang
Atmos. Chem. Phys., 25, 7959–7972, https://doi.org/10.5194/acp-25-7959-2025,https://doi.org/10.5194/acp-25-7959-2025, 2025
Short summary
Technical note: Determining chemical composition of atmospheric single particles by a standard-free mass calibration algorithm
Shao Shi, Jinghao Zhai, Xin Yang, Yechun Ruan, Yuanlong Huang, Xujian Chen, Antai Zhang, Jianhuai Ye, Guomao Zheng, Baohua Cai, Yaling Zeng, Yixiang Wang, Chunbo Xing, Yujie Zhang, Tzung-May Fu, Lei Zhu, Huizhong Shen, and Chen Wang
Atmos. Chem. Phys., 24, 7001–7012, https://doi.org/10.5194/acp-24-7001-2024,https://doi.org/10.5194/acp-24-7001-2024, 2024
Short summary
Using the chemical equilibrium partitioning space to explore factors influencing the phase distribution of compounds involved in secondary organic aerosol formation
F. Wania, Y. D. Lei, C. Wang, J. P. D. Abbatt, and K.-U. Goss
Atmos. Chem. Phys., 15, 3395–3412, https://doi.org/10.5194/acp-15-3395-2015,https://doi.org/10.5194/acp-15-3395-2015, 2015
Short summary
Novel methods for predicting gas–particle partitioning during the formation of secondary organic aerosol
F. Wania, Y. D. Lei, C. Wang, J. P. D. Abbatt, and K.-U. Goss
Atmos. Chem. Phys., 14, 13189–13204, https://doi.org/10.5194/acp-14-13189-2014,https://doi.org/10.5194/acp-14-13189-2014, 2014
Short summary

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
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
Short summary
Uncertainties in the effects of organic aerosol coatings on polycyclic aromatic hydrocarbon concentrations and their estimated health effects
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
Short summary
Source-explicit estimation of brown carbon in the polluted atmosphere over the North China Plain: implications for distribution, absorption, and the direct radiative effect
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
Short summary
Implications of reduced-complexity aerosol thermodynamics on organic aerosol mass concentration and composition over North America
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
Short summary
Trends and drivers of soluble iron deposition from East Asian dust to the Northwest Pacific: a springtime analysis (2001–2017)
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
Short summary

Cited articles

ACD/Labs: Advanced Chemistry Development. Data sheet: Absolv prediction  module. Toronto (Canada), cited 2 December 2016, available at: http://www.acdlabs.com/download/docs/datasheets/datasheet_absolv.pdf (last access: 15 June 2017), 2016.
Arp, H. P. H. and Goss, K. U.: Ambient Gas/Particle Partitioning. 3. Estimating Partition Coefficients of Apolar, Polar, and Ionizable Organic Compounds by Their Molecular Structure, Environ. Sci. Technol., 43, 1923–1929, https://doi.org/10.1021/es8025165, 2009.
Arp, H. P. H., Schwarzenbach, R. P., and Goss, K. U.: Ambient gas/particle partitioning. 2: The influence of particle source and temperature on sorption to dry terrestrial aerosols, Environ. Sci. Technol., 42, 5951–5957, https://doi.org/10.1021/es703096p, 2008.
Barley, M. H. and McFiggans, G.: The critical assessment of vapour pressure estimation methods for use in modelling the formation of atmospheric organic aerosol, Atmos. Chem. Phys., 10, 749–767, https://doi.org/10.5194/acp-10-749-2010, 2010.
Compernolle, S., Ceulemans, K., and Müller, J.-F.: EVAPORATION: a new vapour pressure estimation methodfor organic molecules including non-additivity and intramolecular interactions, Atmos. Chem. Phys., 11, 9431–9450, https://doi.org/10.5194/acp-11-9431-2011, 2011.
Download
Short summary
Three property prediction methods are used to predict equilibrium partitioning coefficients for a set of 3414 compounds implicated in secondary organic aerosol formation. Partitioning from the gas phase to water is found to be much more uncertain than estimates of partitioning into the organic matter of aerosol. This uncertainty matters, as phase distribution is very different depending on which prediction method is applied.
Share
Altmetrics
Final-revised paper
Preprint