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Abstract
Abstract. 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.
Highlights
Understanding climate change is of utmost importance to mankind, since the effects of changes in the climate, both on regional and global scale, severely alter the conditions for life for a vast majority of the species on Earth
This behavior twhaes excpuecbteidcinfothrismstud(yF.iHgo.w2evber),.duHriongwthee veqeuril,ibdrautiorning the sFimigu. 2laat.ioMn,oltehceulmesorleacnudloems ilnyside ally of the systems described in Table 1, we found that not all the formCPaA nmaolnecoul-essimzeovdeddtorothpe lseurtfa–ce.aInspfahcte, trhiecreawl casluanster
In this study we have shown that molecular dynamics (MD) simulation is an effective tool for investigating the properties of nanoaerosols such as surface tension, surface to bulk distribution and aggregation formation for model humic-like substances (HULIS) compounds
Summary
Understanding climate change is of utmost importance to mankind, since the effects of changes in the climate, both on regional and global scale, severely alter the conditions for life for a vast majority of the species on Earth. Clouds cannot form unless there is a high relative humidity and presence of Cloud Condensation Nuclei (CCN), that is, the number of aerosol particles available for uptake or condensation of water vapour. The most widely used theory that describes a process in which water vapour condenses and forms liquid cloud drops was developed by the Swedish meteorologist Hilding Kohler in the beginning of the 20th century (Kohler, 1936) and is based on equilibrium thermodynamics. It combines the change in saturation vapour pressure due to a curved surface (the Kelvin effect), and to the solute (the Raoult’s Law). Present knowledge concerning the aerosol multiphase system has identified that its organic components contribute and play a crucial role in the formation of cloud droplets in their ability to lower the surface tension for the water uptake (Novakov and Penner, 1993; Shulman et al, 1996; Facchini et al, 1999b; Rodhe, 1999)
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