Change search
CiteExportLink to record
Permanent link

Direct link
Cite
Citation style
  • apa
  • ieee
  • modern-language-association-8th-edition
  • vancouver
  • Other style
More styles
Language
  • de-DE
  • en-GB
  • en-US
  • fi-FI
  • nn-NO
  • nn-NB
  • sv-SE
  • Other locale
More languages
Output format
  • html
  • text
  • asciidoc
  • rtf
Fission of charged nano-hydrated ammonia clusters - microscopic insights into the nucleation processes
Lund Univ, Dept Phys, Box 118, S-22100 Lund, Sweden..
Univ Autonoma Madrid, Dept Quim, Modulo 13, E-28049 Madrid, Spain..
Lund Univ, Dept Phys, Box 118, S-22100 Lund, Sweden..
Lund Univ, Dept Phys, Box 118, S-22100 Lund, Sweden..
Show others and affiliations
2019 (English)In: Physical Chemistry, Chemical Physics - PCCP, ISSN 1463-9076, E-ISSN 1463-9084, Vol. 21, no 46, p. 25749-25762Article in journal (Refereed) Published
Abstract [en]

While largely studied on the macroscopic scale, the dynamics leading to nucleation and fission processes in atmospheric aerosols are still poorly understood at the molecular level. Here, we present a joint experimental-theoretical study of a model system consisting of hydrogen-bonded ammonia and water molecules. Experimentally, the clusters were produced via adiabatic co-expansion. Double ionization ionic products were prepared using synchrotron radiation and analyzed with coincidence mass- and 3D momentum spectroscopy. Calculations were carried out using ab initio molecular dynamics to understand the fragmentation within the first similar to 500 fs. Further exploration of the potential energy surfaces was performed at a DFT level of theory to gain information on the energetics of the processes. Water was identified as an efficient nano-droplet stabilizer, and is found to have a significant effect even at low water content. On the molecular level, the stabilizing role of water can be related to an increase in the dissociation energy between ammonia molecules and the water enriched environment at the cluster surface. Furthermore, our results support the role of ammonium as a charge carrier in the solution, preferentially bound to surrounding ammonia molecules, which can influence the atmospheric nucleation process.

Place, publisher, year, edition, pages
Royal Society of Chemistry, 2019. Vol. 21, no 46, p. 25749-25762
National Category
Chemical Sciences
Identifiers
URN: urn:nbn:se:kth:diva-266228DOI: 10.1039/c9cp04221kISI: 000502143000018PubMedID: 31720608Scopus ID: 2-s2.0-85075813588OAI: oai:DiVA.org:kth-266228DiVA, id: diva2:1382525
Note

QC 20200103

Available from: 2020-01-03 Created: 2020-01-03 Last updated: 2020-01-03Bibliographically approved

Open Access in DiVA

No full text in DiVA

Other links

Publisher's full textPubMedScopus

Authority records BETA

Maclot, Sylvain

Search in DiVA

By author/editor
Maclot, SylvainSorensen, Stacey L.Gisselbrecht, Mathieu
By organisation
Biomedical and X-ray Physics
In the same journal
Physical Chemistry, Chemical Physics - PCCP
Chemical Sciences

Search outside of DiVA

GoogleGoogle Scholar

doi
pubmed
urn-nbn

Altmetric score

doi
pubmed
urn-nbn
Total: 2 hits
CiteExportLink to record
Permanent link

Direct link
Cite
Citation style
  • apa
  • ieee
  • modern-language-association-8th-edition
  • vancouver
  • Other style
More styles
Language
  • de-DE
  • en-GB
  • en-US
  • fi-FI
  • nn-NO
  • nn-NB
  • sv-SE
  • Other locale
More languages
Output format
  • html
  • text
  • asciidoc
  • rtf