Please use this identifier to cite or link to this item:
Title: Effects of surface-active organic matter on carbon dioxide nucleation in atmospheric wet aerosols: A molecular dynamics study
Authors: Daskalakis, Evangelos 
Charalambous, Fevronia 
Panagiotou, Fostira 
Nearchou, Irene 
Keywords: Ascending air bubbles;Hexagonal ice;6-site model;Water;CO2;Growth;Equilibrium;Simulation;Kinetics;Hydrate
Category: Chemical Sciences
Field: Natural Sciences
Issue Date: 21-Nov-2014
Publisher: Royal Society of Chemistry
Source: Physical Chemistry Chemical Physics, 2014, Volume 16, Issue 43, Pages 23723-23734
metadata.dc.doi: 10.1039/c4cp03580a
Abstract: Organic matter (OM) uptake in cloud droplets produces water-soluble secondary organic aerosols (SOA) via aqueous chemistry. These play a significant role in aerosol properties. We report the effects of OM uptake in wet aerosols, in terms of the dissolved-to-gas carbon dioxide nucleation using molecular dynamics (MD) simulations. Carbon dioxide has been implicated in the natural rainwater as well as seawater acidity. Variability of the cloud and raindrop pH is assumed in space and time, as regional emissions, local human activities and geophysical characteristics differ. Rain scavenging of inorganic SOx, NOx and NH3 plays a major role in rain acidity in terms of acid-base activity, however carbon dioxide solubility also remains a key parameter. Based on the MD simulations we propose that the presence of surface-active OM promotes the dissolved-to-gas carbon dioxide nucleation in wet aerosols, even at low temperatures, strongly decreasing carbon dioxide solubility. A discussion is made on the role of OM in controlling the pH of a cloud or raindrop, as a consequence, without involving OM ionization equilibrium. The results are compared with experimental and computational studies in the literature.
ISSN: 14639076
Rights: © the Owner Societies 2014.
Type: Article
Appears in Collections:Άρθρα/Articles

Show full item record

Page view(s) 50

Last Week
Last month
checked on Feb 24, 2019

Google ScholarTM


Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.