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
Molecular-resolution simulations of new particle formation: Evaluation of common assumptions made in describing nucleation in aerosol dynamics models
Stockholm University, Faculty of Science, Department of Environmental Science and Analytical Chemistry.
Stockholm University, Faculty of Science, Department of Environmental Science and Analytical Chemistry.
Number of Authors: 22017 (English)In: Aerosol Science and Technology, ISSN 0278-6826, E-ISSN 1521-7388, Vol. 51, no 4, p. 397-408Article in journal (Refereed) Published
Abstract [en]

Aerosol dynamics models that describe the evolution of a particle distribution incorporate nucleation as a particle formation rate at a small size around a few nanometers in diameter. This rate is commonly obtained from molecular models that cover the distribution below the given formation size - although in reality the distribution of nanometer-sized particles cannot be unambiguously divided into separate sections of particle formation and growth. When incorporating nucleation, the distribution below the formation size is omitted, and the formation rate is assumed to be in a steady state. In addition, to reduce the modeled size range, the formation rate is often scaled to a larger size based on estimated growth and scavenging rates and the assumption that also the larger size is in a steady state. This work evaluates these assumptions by simulating sub-10 nm particle distributions in typical atmospheric conditions with an explicit molecular-resolution model. Particle formation is included either (1) dynamically, that is, the whole size range starting from single vapor molecules is modeled explicitly or (2) implicitly by using an input formation rate as is done in aerosol models. The results suggest that while each assumption can affect the outcome of new particle formation modeling, the most significant source of uncertainty affecting the formation rates and resulting nanoparticle concentrations is the steady-state assumption, which may lead to an overprediction of the concentrations by factors of approximately from two to even orders of magnitude. This can have implications for modeling and predicting atmospheric particle formation.

Place, publisher, year, edition, pages
2017. Vol. 51, no 4, p. 397-408
National Category
Chemical Engineering Mechanical Engineering Earth and Related Environmental Sciences
Identifiers
URN: urn:nbn:se:su:diva-142405DOI: 10.1080/02786826.2016.1262530ISI: 000398076400001OAI: oai:DiVA.org:su-142405DiVA, id: diva2:1092707
Available from: 2017-05-03 Created: 2017-05-03 Last updated: 2025-01-31Bibliographically approved

Open Access in DiVA

No full text in DiVA

Other links

Publisher's full text

Authority records

Olenius, TinjaRiipinen, Ilona

Search in DiVA

By author/editor
Olenius, TinjaRiipinen, Ilona
By organisation
Department of Environmental Science and Analytical Chemistry
In the same journal
Aerosol Science and Technology
Chemical EngineeringMechanical EngineeringEarth and Related Environmental Sciences

Search outside of DiVA

GoogleGoogle Scholar

doi
urn-nbn

Altmetric score

doi
urn-nbn
Total: 80 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