Model HULIS compounds in nanoaerosol clusters – investigations of surface tension and aggregate formation using molecular dynamics simulations
Item
Title (Dublin Core)
Model HULIS compounds in nanoaerosol clusters – investigations of surface tension and aggregate formation using molecular dynamics simulations
Description (Dublin Core)
Cloud condensation nuclei act as cores for water vapour condensation, and their composition and chemical properties may enhance or depress the ability for droplet growth. In this study we use molecular dynamics simulations to show that model humic-like substances (HULIS) in systems containing 10 000 water molecules mimic experimental data well referring to reduction of surface tension. The model HULIS compounds investigated in this study are cis-pinonic acid (CPA), pinic acid (PAD) and pinonaldehyde (PAL). The structural properties examined show the ability for the model HULIS compounds to aggregate inside the nanoaerosol clusters.
Creator (Dublin Core)
Hede, T.
Li, X.
Leck, C.
Tu, Y.
Ågren, H.
Date (Dublin Core)
2018-01-15
Type (Dublin Core)
Text
Format (Dublin Core)
application/pdf
Identifier (Dublin Core)
10.5194/acp-11-6549-2011
https://acp.copernicus.org/articles/11/6549/2011/
Source (Dublin Core)
eISSN: 1680-7324
Language (Dublin Core)
eng
