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Treatment of non-ideality in the SPACCIM multiphase model – Part 1: Model development

Rusumdar, A. J.; Wolke, R.; Tilgner, A.; Herrmann, H.

Ambient tropospheric deliquesced particles generally comprise a complex mixture of electrolytes, organic compounds, and water. Dynamic modeling of physical and chemical processes in this complex matrix is challenging. Thus, up-to-date multiphase chemistry models generally do not consider non-ideal solution effects. Therefore, the present study was aimed at presenting further development of the SPACCIM (Spectral Aerosol Cloud Chemistry Interaction Model) through treatment of solution non-ideality, which has not been considered before. The present paper firstly describes the model developments including (i) the implementation of solution non-ideality in aqueous-phase reaction kinetics in the SPACCIM framework, (ii) the advancements in the coupling scheme of microphysics and multiphase chemistry and (iii) the required adjustments of the numerical schemes, especially in the sparse linear solver and the calculation of the Jacobian. Secondly, results of sensitivity investigations are outlined, aiming at the evaluation of different activity coefficient modules and the examination of the contributions of different intermolecular forces to the overall activity coefficients. ... mehr

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DOI: 10.5445/IR/1000055961
DOI: 10.5194/gmd-9-247-2016
Zitationen: 3
Web of Science
Zitationen: 4
Zitationen: 4
Cover der Publikation
Zugehörige Institution(en) am KIT Institut für Mikroverfahrenstechnik (IMVT)
Publikationstyp Zeitschriftenaufsatz
Publikationsjahr 2016
Sprache Englisch
Identifikator ISSN: 1991-959X
KITopen-ID: 1000055961
HGF-Programm 34.12.01 (POF III, LK 01) Multiphasen und thermische Prozesse
Erschienen in Geoscientific Model Development
Verlag Copernicus Publications
Band 9
Heft 1
Seiten 247-281
Nachgewiesen in Web of Science
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