Modeling the formation and growth of atmospheric molecular clusters: A review

Jonas Elm; Jakub Kubečka; Vitus Besel; Matias J. Jääskeläinen; Roope Halonen; Theo Kurtén; Hanna Vehkamäki

doi:10.1016/j.jaerosci.2020.105621

Modeling the formation and growth of atmospheric molecular clusters: A review

Jonas Elm^*, Jakub Kubečka, Vitus Besel, Matias J. Jääskeläinen, Roope Halonen, Theo Kurtén, Hanna Vehkamäki

^*Corresponding author for this work

iCLIMATE Aarhus University Interdisciplinary Centre for Climate Change - iCLIMATE Aarhus University Interdisciplinary Centre for Climate Change, Langelandsgade
Department of Chemistry

Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

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Abstract

Molecular clusters are ubiquitous constituents of the ambient atmosphere, that can grow into larger sizes forming new aerosol particles. The formation and growth of small clusters into aerosol particles remain one of the largest uncertainties in global climate predictions. This has made the modeling of atmospheric molecular clustering into an active field of research, yielding direct molecular level information about the formation mechanism. We review the present state-of-the-art quantum chemical methods and cluster distribution dynamics models that are applied to study the formation and growth of atmospheric molecular clusters. We outline the current challenges in applying theoretical methods and the future directions to move the field forward.

Original language	English
Article number	105621
Journal	Journal of Aerosol Science
Volume	149
Number of pages	38
ISSN	0021-8502
DOIs	https://doi.org/10.1016/j.jaerosci.2020.105621
Publication status	Published - Nov 2020

Keywords

Clusters
New particle formation
Quantum chemistry
Sampling

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10.1016/j.jaerosci.2020.105621

cluster_reviewAccepted manuscript, 16.6 MBLicence: CC BY-NC-ND

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title = "Modeling the formation and growth of atmospheric molecular clusters: A review",

abstract = "Molecular clusters are ubiquitous constituents of the ambient atmosphere, that can grow into larger sizes forming new aerosol particles. The formation and growth of small clusters into aerosol particles remain one of the largest uncertainties in global climate predictions. This has made the modeling of atmospheric molecular clustering into an active field of research, yielding direct molecular level information about the formation mechanism. We review the present state-of-the-art quantum chemical methods and cluster distribution dynamics models that are applied to study the formation and growth of atmospheric molecular clusters. We outline the current challenges in applying theoretical methods and the future directions to move the field forward.",

keywords = "Clusters, New particle formation, Quantum chemistry, Sampling",

author = "Jonas Elm and Jakub Kube{\v c}ka and Vitus Besel and J{\"a}{\"a}skel{\"a}inen, {Matias J.} and Roope Halonen and Theo Kurt{\'e}n and Hanna Vehkam{\"a}ki",

year = "2020",

month = nov,

doi = "10.1016/j.jaerosci.2020.105621",

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TY - JOUR

T1 - Modeling the formation and growth of atmospheric molecular clusters

T2 - A review

AU - Elm, Jonas

AU - Kubečka, Jakub

AU - Besel, Vitus

AU - Jääskeläinen, Matias J.

AU - Halonen, Roope

AU - Kurtén, Theo

AU - Vehkamäki, Hanna

PY - 2020/11

Y1 - 2020/11

N2 - Molecular clusters are ubiquitous constituents of the ambient atmosphere, that can grow into larger sizes forming new aerosol particles. The formation and growth of small clusters into aerosol particles remain one of the largest uncertainties in global climate predictions. This has made the modeling of atmospheric molecular clustering into an active field of research, yielding direct molecular level information about the formation mechanism. We review the present state-of-the-art quantum chemical methods and cluster distribution dynamics models that are applied to study the formation and growth of atmospheric molecular clusters. We outline the current challenges in applying theoretical methods and the future directions to move the field forward.

AB - Molecular clusters are ubiquitous constituents of the ambient atmosphere, that can grow into larger sizes forming new aerosol particles. The formation and growth of small clusters into aerosol particles remain one of the largest uncertainties in global climate predictions. This has made the modeling of atmospheric molecular clustering into an active field of research, yielding direct molecular level information about the formation mechanism. We review the present state-of-the-art quantum chemical methods and cluster distribution dynamics models that are applied to study the formation and growth of atmospheric molecular clusters. We outline the current challenges in applying theoretical methods and the future directions to move the field forward.

KW - Clusters

KW - New particle formation

KW - Quantum chemistry

KW - Sampling

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U2 - 10.1016/j.jaerosci.2020.105621

DO - 10.1016/j.jaerosci.2020.105621

M3 - Journal article

AN - SCOPUS:85087627104

SN - 0021-8502

VL - 149

JO - Journal of Aerosol Science

JF - Journal of Aerosol Science

M1 - 105621

ER -

Modeling the formation and growth of atmospheric molecular clusters: A review

Abstract

Keywords

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