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Average Cloud Droplet Size and Composition: Good Assumptions for Predicting Oxidants in the Atmospheric Aqueous Phase?

[Image: see text] Chemical models that describe the atmospheric multiphase (gas/aqueous) system often include detailed kinetic and mechanistic schemes describing chemical reactions in both phases. The present study explores the importance of properties including the chemical composition of droplet p...

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Autor principal: Ervens, Barbara
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2022
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9662182/
https://www.ncbi.nlm.nih.gov/pubmed/36318926
http://dx.doi.org/10.1021/acs.jpca.2c05527
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author Ervens, Barbara
author_facet Ervens, Barbara
author_sort Ervens, Barbara
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description [Image: see text] Chemical models that describe the atmospheric multiphase (gas/aqueous) system often include detailed kinetic and mechanistic schemes describing chemical reactions in both phases. The present study explores the importance of properties including the chemical composition of droplet populations, such as pH value and iron present in only a few droplets, as well as droplet size and their distribution. It is found that the assumption of evenly distributed iron in all cloud droplets leads to an underestimate by up to 1 order of magnitude of OH concentrations in the aqueous phase, whereas the predicted iron(II)/iron(total) ratio is overestimated by up to a factor of 2. While the sulfate mass formed in cloud droplets is not largely affected by any of the assumptions, the predicted secondary organic aerosol mass varies by an order of magnitude. This sensitivity study reveals that multiphase chemistry model studies should focus not only on chemical mechanism development but also on careful considerations of droplet properties to comprehensively describe the atmospheric multiphase chemical system.
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spelling pubmed-96621822023-11-01 Average Cloud Droplet Size and Composition: Good Assumptions for Predicting Oxidants in the Atmospheric Aqueous Phase? Ervens, Barbara J Phys Chem A [Image: see text] Chemical models that describe the atmospheric multiphase (gas/aqueous) system often include detailed kinetic and mechanistic schemes describing chemical reactions in both phases. The present study explores the importance of properties including the chemical composition of droplet populations, such as pH value and iron present in only a few droplets, as well as droplet size and their distribution. It is found that the assumption of evenly distributed iron in all cloud droplets leads to an underestimate by up to 1 order of magnitude of OH concentrations in the aqueous phase, whereas the predicted iron(II)/iron(total) ratio is overestimated by up to a factor of 2. While the sulfate mass formed in cloud droplets is not largely affected by any of the assumptions, the predicted secondary organic aerosol mass varies by an order of magnitude. This sensitivity study reveals that multiphase chemistry model studies should focus not only on chemical mechanism development but also on careful considerations of droplet properties to comprehensively describe the atmospheric multiphase chemical system. American Chemical Society 2022-11-01 2022-11-10 /pmc/articles/PMC9662182/ /pubmed/36318926 http://dx.doi.org/10.1021/acs.jpca.2c05527 Text en © 2022 The Author. Published by American Chemical Society https://creativecommons.org/licenses/by-nc-nd/4.0/Permits non-commercial access and re-use, provided that author attribution and integrity are maintained; but does not permit creation of adaptations or other derivative works (https://creativecommons.org/licenses/by-nc-nd/4.0/).
spellingShingle Ervens, Barbara
Average Cloud Droplet Size and Composition: Good Assumptions for Predicting Oxidants in the Atmospheric Aqueous Phase?
title Average Cloud Droplet Size and Composition: Good Assumptions for Predicting Oxidants in the Atmospheric Aqueous Phase?
title_full Average Cloud Droplet Size and Composition: Good Assumptions for Predicting Oxidants in the Atmospheric Aqueous Phase?
title_fullStr Average Cloud Droplet Size and Composition: Good Assumptions for Predicting Oxidants in the Atmospheric Aqueous Phase?
title_full_unstemmed Average Cloud Droplet Size and Composition: Good Assumptions for Predicting Oxidants in the Atmospheric Aqueous Phase?
title_short Average Cloud Droplet Size and Composition: Good Assumptions for Predicting Oxidants in the Atmospheric Aqueous Phase?
title_sort average cloud droplet size and composition: good assumptions for predicting oxidants in the atmospheric aqueous phase?
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9662182/
https://www.ncbi.nlm.nih.gov/pubmed/36318926
http://dx.doi.org/10.1021/acs.jpca.2c05527
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