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

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Elm , J , Kubecka , J , Besel , V , Jääskeläinen , M J , Halonen , R , Kurten , T & Vehkamäki , H 2020 , ' Modeling the formation and growth of atmospheric molecular clusters : A review ' , Journal of Aerosol Science , vol. 149 , 105621 . https://doi.org/10.1016/j.jaerosci.2020.105621

Title: Modeling the formation and growth of atmospheric molecular clusters : A review
Author: Elm, Jonas; Kubecka, Jakub; Besel, Vitus; Jääskeläinen, Matias J.; Halonen, Roope; Kurten, Theo; Vehkamäki, Hanna
Contributor organization: Institute for Atmospheric and Earth System Research (INAR)
Department of Chemistry
Date: 2020-11
Language: eng
Number of pages: 38
Belongs to series: Journal of Aerosol Science
ISSN: 0021-8502
DOI: https://doi.org/10.1016/j.jaerosci.2020.105621
URI: http://hdl.handle.net/10138/346045
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.
Subject: Clusters
New particle formation
Quantum chemistry
Sampling
DENSITY-FUNCTIONAL THEORY
METHANE SULFONIC-ACID
IONIZATION MASS-SPECTROMETER
AUTOXIDATION PRODUCT C6H8O7
SATURATION VAPOR-PRESSURES
BINARY NUCLEATION KINETICS
PARTICLE-SIZE MAGNIFIER
ION-INDUCED NUCLEATION
GAS-PHASE HYDRATION
SULFURIC-ACID
114 Physical sciences
116 Chemical sciences
Peer reviewed: Yes
Rights: cc_by_nc_nd
Usage restriction: openAccess
Self-archived version: acceptedVersion


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