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Cross-Linked Polysaccharide Assemblies in Marine Gels: An Atomistic Simulation
KTH, School of Biotechnology (BIO), Theoretical Chemistry and Biology.ORCID iD: 0000-0001-6508-8355
KTH, School of Biotechnology (BIO), Theoretical Chemistry and Biology.
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2013 (English)In: Journal of Physical Chemistry Letters, ISSN 1948-7185, E-ISSN 1948-7185, Vol. 4, no 16, 2637-2642 p.Article in journal (Refereed) Published
Abstract [en]

Marine polymeric gels or colloidal nano- and microgels have been shown to contribute significantly to the primary marine aerosol and cloud condensation nuclei over remote marine areas. A microscopic understanding of such biologically derived matter at the sea air interface is important for future development of global climate models, but unfortunately cannot be obtained from modern characterization techniques. In this contribution, we employ molecular dynamics simulations to reveal the atomistic details of marine polymeric gels represented by anionic polysaccharide assemblies. The ionic bonds formed between polysaccharides and metal ions in seawater as well as the hydrophobic contribution to surface area are investigated in detail, and destabilization of the assemblies upon removal of Ca2+ or acidification is explained. These results provide insight into physicochemical properties of polysaccharide-Ca2+ structures and enable future studies of their roles of in the wetting process of cloud droplet activation.

Place, publisher, year, edition, pages
2013. Vol. 4, no 16, 2637-2642 p.
Keyword [en]
Central Arctic-Ocean, Surface Microlayer, Force-Field, Particles, Aerosol, Summer, Water, Microgels, Dynamics, Matter
National Category
Engineering and Technology
Identifiers
URN: urn:nbn:se:kth:diva-128473DOI: 10.1021/jz401276rISI: 000323300900007Scopus ID: 2-s2.0-84882367051OAI: oai:DiVA.org:kth-128473DiVA: diva2:647823
Funder
Swedish Research Council
Note

QC 20130912

Available from: 2013-09-12 Created: 2013-09-12 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)
Opponent
Supervisors
Note

QC 20140520

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

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Li, XinTu, YaoquanÅgren, Hans

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