Publication Date:
2018
Description:
〈b〉Insights into the morphology of multicomponent
organic/inorganic aerosols from molecular
dynamics simulations〈/b〉〈br〉
Katerina S. Karadima, Vlasis G. Mavrantzas, and Spyros N. Pandis〈br〉
Atmos. Chem. Phys. Discuss., https//doi.org/10.5194/acp-2018-1098,2018〈br〉
〈b〉Manuscript under review for ACP〈/b〉 (discussion: open, 0 comments)〈br〉
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.
Print ISSN:
1680-7367
Electronic ISSN:
1680-7375
Topics:
Geosciences
