Articles | Volume 19, issue 8
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, Vlasis G. Mavrantzas, and Spyros N. Pandis

Related authors

Contribution of intermediate volatility organic compounds from on-road transport to secondary organic aerosol levels in Europe
Stella E. I. Manavi and Spyros N. Pandis
EGUsphere,,, 2023
This preprint is open for discussion and under review for Atmospheric Chemistry and Physics (ACP).
Short summary
Implementation of the ISORROPIA-lite Aerosol Thermodynamics Model into the EMAC Chemistry Climate Model 2.56: Implications for Aerosol Composition and Acidity
Alexandros Milousis, Alexandra P. Tsimpidi, Holger Tost, Spyros N. Pandis, Athanasios Nenes, Astrid Kiendler-Scharr, and Vlassis A. Karydis
Geosci. Model Dev. Discuss.,,, 2023
Preprint under review for GMD
Short summary
Significant spatial gradients in new particle formation frequency in Greece during summer
Andreas Aktypis, Christos Kaltsonoudis, David Patoulias, Panayiotis Kalkavouras, Angeliki Matrali, Christina N. Vasilakopoulou, Evangelia Kostenidou, Kalliopi Florou, Nikos Kalivitis, Aikaterini Bougiatioti, Konstantinos Eleftheriadis, Stergios Vratolis, Maria I. Gini, Athanasios Kouras, Constantini Samara, Mihalis Lazaridis, Sofia-Eirini Chatoutsidou, Nikolaos Mihalopoulos, and Spyros N. Pandis
EGUsphere,,, 2023
This preprint is open for discussion and under review for Atmospheric Chemistry and Physics (ACP).
Short summary
Chemical evolution of primary and secondary biomass burning aerosols during daytime and nighttime
Amir Yazdani, Satoshi Takahama, John K. Kodros, Marco Paglione, Mauro Masiol, Stefania Squizzato, Kalliopi Florou, Christos Kaltsonoudis, Spiro D. Jorga, Spyros N. Pandis, and Athanasios Nenes
Atmos. Chem. Phys., 23, 7461–7477,,, 2023
Short summary
Estimation of secondary organic aerosol formation parameters for the volatility basis set combining thermodenuder, isothermal dilution, and yield measurements
Petro Uruci, Dontavious Sippial, Anthoula Drosatou, and Spyros N. Pandis
Atmos. Meas. Tech., 16, 3155–3172,,, 2023
Short summary

Related subject area

Subject: Aerosols | Research Activity: Atmospheric Modelling and Data Analysis | Altitude Range: Troposphere | Science Focus: Physics (physical properties and processes)
The underappreciated role of transboundary pollution in future air quality and health improvements in China
Jun-Wei Xu, Jintai Lin, Dan Tong, and Lulu Chen
Atmos. Chem. Phys., 23, 10075–10089,,, 2023
Short summary
The export of African mineral dust across the Atlantic and its impact over the Amazon Basin
Xurong Wang, Qiaoqiao Wang, Maria Prass, Christopher Pöhlker, Daniel Moran-Zuloaga, Paulo Artaxo, Jianwei Gu, Ning Yang, Xiajie Yang, Jiangchuan Tao, Juan Hong, Nan Ma, Yafang Cheng, Hang Su, and Meinrat O. Andreae
Atmos. Chem. Phys., 23, 9993–10014,,, 2023
Short summary
Assimilation of POLDER observations to estimate aerosol emissions
Athanasios Tsikerdekis, Otto P. Hasekamp, Nick A. J. Schutgens, and Qirui Zhong
Atmos. Chem. Phys., 23, 9495–9524,,, 2023
Short summary
Effect of radiation interaction and aerosol processes on ventilation and aerosol concentrations in a real urban neighbourhood in Helsinki
Jani Strömberg, Xiaoyu Li, Mona Kurppa, Heino Kuuluvainen, Liisa Pirjola, and Leena Järvi
Atmos. Chem. Phys., 23, 9347–9364,,, 2023
Short summary
Atlantic Multidecadal Oscillation modulates the relationship between El Niño–Southern Oscillation and fire weather in Australia
Guanyu Liu, Jing Li, and Tong Ying
Atmos. Chem. Phys., 23, 9217–9228,,, 2023
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