Articles | Volume 19, issue 8
Atmos. Chem. Phys., 19, 5571–5587, 2019

Special issue: Simulation chambers as tools in atmospheric research (AMT/ACP/GMD...

Atmos. Chem. Phys., 19, 5571–5587, 2019

Research article 29 Apr 2019

Research article | 29 Apr 2019

Insights into the morphology of multicomponent organic and inorganic aerosols from molecular dynamics simulations

Katerina S. Karadima et al.

Related authors

Size-resolved aerosol pH over Europe during summer
Stylianos Kakavas, David Patoulias, Maria Zakoura, Athanasios Nenes, and Spyros N. Pandis
Atmos. Chem. Phys., 21, 799–811,,, 2021
Short summary
Organic aerosol volatility and viscosity in North China Plain: Contrast between summer and winter
Weiqi Xu, Chun Chen, Yanmei Qiu, Ying Li, Zhiqiang Zhang, Eleni Karnezi, Spyros N. Pandis, Conghui Xie, Zhijie Li, Jiaxing Sun, Nan Ma, Wanyun Xu, Pingqing Fu, Zifa Wang, Jiang Zhu, Douglas R. Worsnop, Nga Lee Ng, and Yele Sun
Atmos. Chem. Phys. Discuss.,,, 2020
Revised manuscript under review for ACP
Short summary
Simulation of the evolution of biomass burning organic aerosol with different volatility basis set schemes in PMCAMx-SRv1.0
Georgia N. Theodoritsi, Giancarlo Ciarelli, and Spyros N. Pandis
Geosci. Model Dev. Discuss.,,, 2020
Revised manuscript under review for GMD
Short summary
Aerosol light absorption and the role of extremely low volatility organic compounds
Antonios Tasoglou, Evangelos Louvaris, Kalliopi Florou, Aikaterini Liangou, Eleni Karnezi, Christos Kaltsonoudis, Ningxin Wang, and Spyros N. Pandis
Atmos. Chem. Phys., 20, 11625–11637,,, 2020
Short summary
Aerosol acidity and liquid water content regulate the dry deposition of inorganic reactive nitrogen
Athanasios Nenes, Spyros N. Pandis, Maria Kanakidou, Armistead Russell, Shaojie Song, Petros Vasilakos, and Rodney J. Weber
Atmos. Chem. Phys. Discuss.,,, 2020
Preprint under review for ACP
Short summary

Related subject area

Subject: Aerosols | Research Activity: Atmospheric Modelling | Altitude Range: Troposphere | Science Focus: Physics (physical properties and processes)
Factors controlling marine aerosol size distributions and their climate effects over the northwest Atlantic Ocean region
Betty Croft, Randall V. Martin, Richard H. Moore, Luke D. Ziemba, Ewan C. Crosbie, Hongyu Liu, Lynn M. Russell, Georges Saliba, Armin Wisthaler, Markus Müller, Arne Schiller, Martí Galí, Rachel Y.-W. Chang, Erin E. McDuffie, Kelsey R. Bilsback, and Jeffrey R. Pierce
Atmos. Chem. Phys., 21, 1889–1916,,, 2021
Short summary
Mass accommodation and gas–particle partitioning in secondary organic aerosols: dependence on diffusivity, volatility, particle-phase reactions, and penetration depth
Manabu Shiraiwa and Ulrich Pöschl
Atmos. Chem. Phys., 21, 1565–1580,,, 2021
Short summary
Evident PM2.5 drops in the east of China due to the COVID-19 quarantine measures in February
Zhicong Yin, Yijia Zhang, Huijun Wang, and Yuyan Li
Atmos. Chem. Phys., 21, 1581–1592,,, 2021
Short summary
Wildfire smoke-plume rise: a simple energy balance parameterization
Nadya Moisseeva and Roland Stull
Atmos. Chem. Phys., 21, 1407–1425,,, 2021
Short summary
Effective radiative forcing from emissions of reactive gases and aerosols – a multi-model comparison
Gillian D. Thornhill, William J. Collins, Ryan J. Kramer, Dirk Olivié, Ragnhild B. Skeie, Fiona M. O'Connor, Nathan Luke Abraham, Ramiro Checa-Garcia, Susanne E. Bauer, Makoto Deushi, Louisa K. Emmons, Piers M. Forster, Larry W. Horowitz, Ben Johnson, James Keeble, Jean-Francois Lamarque, Martine Michou, Michael J. Mills, Jane P. Mulcahy, Gunnar Myhre, Pierre Nabat, Vaishali Naik, Naga Oshima, Michael Schulz, Christopher J. Smith, Toshihiko Takemura, Simone Tilmes, Tongwen Wu, Guang Zeng, and Jie Zhang
Atmos. Chem. Phys., 21, 853–874,,, 2021
Short summary

Cited articles

Allen, M. P. and Tildesley, D. J.: Computer Simulation of Liquids, Oxford University Press, New York, 1991. 
Altaf, M. B. and Freedman, M. A.: Effect of Drying Rate on Aerosol Particle Morphology, J. Phys. Chem. Lett., 8, 3613–3618, 2017. 
Bahadur, R., Russell, L. M. and Prather, K.: Composition and morphology of individual combustion, biomass burning, and secondary organic particle types obtained using urban and coastal ATOFMS and STXM-NEXAFS measurements, Aerosol Sci. Technol., 44, 551–562, 2010. 
Berendsen, H. J. C., Grigera, J. R. and Straatsma, T. P.: The missing term in effective pair potentials, J. Phys. Chem., 91, 6269–6271, 1987. 
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,, 2011. 
Short summary
We explore the morphologies of multicomponent nanoparticles through atomistic molecular dynamics simulations under atmospherically relevant conditions. Phase separation is predicted for almost all simulated nanoparticles either between organics and inorganics or between hydrophobic and hydrophilic constituents. Three main particle types were identified: organic islands at the surface, inorganic core-organic shell morphologies and complex structures with hydrophobic and hydrophilic domains.
Final-revised paper