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Combined Effect of Glycine and Sea Salt on Aerosol Cloud Droplet Activation Predicted by Molecular Dynamics Simulations
KTH, School of Biotechnology (BIO), Theoretical Chemistry and Biology.
KTH, School of Biotechnology (BIO), Theoretical Chemistry and Biology.ORCID iD: 0000-0001-8198-9284
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2013 (English)In: Journal of Physical Chemistry A, ISSN 1089-5639, E-ISSN 1520-5215, Vol. 117, no 41, 10746-10752 p.Article in journal (Refereed) Published
Abstract [en]

The present study illustrates the combined effect of organic and inorganic compounds on cloud droplet nucleation and activation processes representative for the marine environment. Amino acids and sea salt are common marine cloud condensation nuclei (CCN) which act as a prerequisite for growth of cloud droplets. The chemical and physical properties of these CCN play a key role for interfacial properties such as surface tension, which is important for the optical properties of clouds and for heterogeneous reactions. However, there is a lack of detailed information and in situ measurements of surface tension of such nanosized droplets. Here we present a study of the combined effect of zwitterionic glycine (ZGLY) and sea salt in nanosized water droplets using molecular dynamics simulations, where particular emphasis is placed on the surface tension for the nanosized droplets. The critical supersaturation is estimated by the Kohler equation. It is found that dissolved sea salt interacts with ZGLY through a water bridge and weakens the hydrogen bonds among ZGLYs, which has a significant effect on both surface tension and water vapor supersaturation. Clusters of glycine mixed with sea salt deliquesce more efficiently and have higher growth factors.

Place, publisher, year, edition, pages
2013. Vol. 117, no 41, 10746-10752 p.
Keyword [en]
Linear Constraint Solver, Particle Mesh Ewald, Surface-Tension, Dimethyl Sulfide, Amino-Acids, Clusters, Sulfur, Albedo, Water, Gromacs
National Category
Physical Chemistry
Identifiers
URN: urn:nbn:se:kth:diva-134568DOI: 10.1021/jp407538xISI: 000326126100020Scopus ID: 2-s2.0-84886874900OAI: oai:DiVA.org:kth-134568DiVA: diva2:667629
Note

QC 20131127

Available from: 2013-11-27 Created: 2013-11-25 Last updated: 2017-12-06Bibliographically approved
In thesis
1. Stability and Growth of Composite Atmospheric Nanoclusters Studied by Molecular Dynamics Simulations
Open this publication in new window or tab >>Stability and Growth of Composite Atmospheric Nanoclusters Studied by Molecular Dynamics Simulations
2014 (English)Doctoral thesis, comprehensive summary (Other academic)
Place, publisher, year, edition, pages
KTH Royal Institute of Technology, 2014. viii, 70 p.
Series
TRITA-BIO-Report, ISSN 1654-2312 ; 2014:09
National Category
Natural Sciences
Identifiers
urn:nbn:se:kth:diva-145248 (URN)978-91-7595-173-7 (ISBN)
Public defence
2014-06-05, FB54, AlbaNova University Center, Roslagsbacken 21, Stockholm, 10:00 (English)
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Note

QC 20140520

Available from: 2014-05-20 Created: 2014-05-14 Last updated: 2014-05-20Bibliographically approved

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Tu, YaoquanÅgren, Hans

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