Articles | Volume 19, issue 8
Atmos. Chem. Phys., 19, 5571–5587, 2019
https://doi.org/10.5194/acp-19-5571-2019
© Author(s) 2019. This work is distributed under
the Creative Commons Attribution 4.0 License.
the Creative Commons Attribution 4.0 License.
Special issue: Simulation chambers as tools in atmospheric research (AMT/ACP/GMD...
Atmos. Chem. Phys., 19, 5571–5587, 2019
https://doi.org/10.5194/acp-19-5571-2019
© Author(s) 2019. This work is distributed under
the Creative Commons Attribution 4.0 License.
the Creative Commons Attribution 4.0 License.
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.
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Cited
11 citations as recorded by crossref.
- Hygroscopic behavior of aerosols generated from solutions of 3-methyl-1,2,3-butanetricarboxylic acid, its sodium salts, and its mixtures with NaCl L. Wu et al. 10.5194/acp-20-14103-2020
- Coexistence of three liquid phases in individual atmospheric aerosol particles Y. Huang et al. 10.1073/pnas.2102512118
- Size-Dependent Liquid–Liquid Phase Separation in Atmospherically Relevant Complex Systems T. Kucinski et al. 10.1021/acs.jpclett.9b02532
- Effect of inorganic-to-organic mass ratio on the heterogeneous OH reaction rates of erythritol: implications for atmospheric chemical stability of 2-methyltetrols R. Xu et al. 10.5194/acp-20-3879-2020
- Water Activity from Equilibrium Molecular Dynamics Simulations and Kirkwood-Buff Theory M. Lbadaoui-Darvas & S. Takahama 10.1021/acs.jpcb.9b06735
- Aerosol Optical Tweezers Constrain the Morphology Evolution of Liquid-Liquid Phase-Separated Atmospheric Particles K. Gorkowski et al. 10.1016/j.chempr.2019.10.018
- Molecular simulations of interfacial systems: challenges, applications and future perspectives M. Lbadaoui-Darvas et al. 10.1080/08927022.2021.1980215
- Seasonal variability of trace elements in fine particulate matter (PM2.5) in a coastal city of northern Poland – profile analysis and source identification P. Siudek 10.1039/D0EM00031K
- Molecular dynamics simulations demonstrate that non-ideal mixing dominates subsaturation organic aerosol hygroscopicity D. Roston 10.1039/D1CP00245G
- Contribution of Different Molecules and Moieties to the Surface Tension in Aqueous Surfactant Solutions. II: Role of the Size and Charge Sign of the Counterions G. Hantal et al. 10.1021/acs.jpcb.1c04216
- A theoretical perspective on the structure and thermodynamics of secondary organic aerosols from toluene: molecular hierarchical synergistic effects X. Duan et al. 10.1039/D1EN00959A
11 citations as recorded by crossref.
- Hygroscopic behavior of aerosols generated from solutions of 3-methyl-1,2,3-butanetricarboxylic acid, its sodium salts, and its mixtures with NaCl L. Wu et al. 10.5194/acp-20-14103-2020
- Coexistence of three liquid phases in individual atmospheric aerosol particles Y. Huang et al. 10.1073/pnas.2102512118
- Size-Dependent Liquid–Liquid Phase Separation in Atmospherically Relevant Complex Systems T. Kucinski et al. 10.1021/acs.jpclett.9b02532
- Effect of inorganic-to-organic mass ratio on the heterogeneous OH reaction rates of erythritol: implications for atmospheric chemical stability of 2-methyltetrols R. Xu et al. 10.5194/acp-20-3879-2020
- Water Activity from Equilibrium Molecular Dynamics Simulations and Kirkwood-Buff Theory M. Lbadaoui-Darvas & S. Takahama 10.1021/acs.jpcb.9b06735
- Aerosol Optical Tweezers Constrain the Morphology Evolution of Liquid-Liquid Phase-Separated Atmospheric Particles K. Gorkowski et al. 10.1016/j.chempr.2019.10.018
- Molecular simulations of interfacial systems: challenges, applications and future perspectives M. Lbadaoui-Darvas et al. 10.1080/08927022.2021.1980215
- Seasonal variability of trace elements in fine particulate matter (PM2.5) in a coastal city of northern Poland – profile analysis and source identification P. Siudek 10.1039/D0EM00031K
- Molecular dynamics simulations demonstrate that non-ideal mixing dominates subsaturation organic aerosol hygroscopicity D. Roston 10.1039/D1CP00245G
- Contribution of Different Molecules and Moieties to the Surface Tension in Aqueous Surfactant Solutions. II: Role of the Size and Charge Sign of the Counterions G. Hantal et al. 10.1021/acs.jpcb.1c04216
- A theoretical perspective on the structure and thermodynamics of secondary organic aerosols from toluene: molecular hierarchical synergistic effects X. Duan et al. 10.1039/D1EN00959A
Latest update: 03 Feb 2023
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.
We explore the morphologies of multicomponent nanoparticles through atomistic molecular dynamics...
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