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Molecular-Level Understanding of Synergistic Effects in Sulfuric Acid-Amine-Ammonia Mixed Clusters
Stockholms universitet, Naturvetenskapliga fakulteten, Institutionen för miljövetenskap och analytisk kemi.
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Rekke forfattare: 52019 (engelsk)Inngår i: Journal of Physical Chemistry A, ISSN 1089-5639, E-ISSN 1520-5215, Vol. 123, nr 12, s. 2420-2425Artikkel i tidsskrift (Fagfellevurdert) Published
Abstract [en]

The abundance and basicity of a stabilizing base have shown to be key factors in sulfuric acid driven atmospheric new-particle formation. However, since experiments indicate that a low concentration of ammonia enhances particle formation from sulfuric acid and dimethylamine, which is a stronger base, there must be additional factors affecting the particle formation efficiency. Using quantum chemistry, we provide a molecular-level explanation for the synergistic effects in sulfuric acid-dimethylamine-ammonia cluster formation. Because of the capability of ammonia to form more intermolecular interactions than dimethylamine, it can act as a bridge-former in sulfuric acid-dimethylamine clusters. In many cluster compositions, ammonia is more likely to be protonated than dimethylamine, although it is a weaker base. By nanoparticle formation rate simulations, we show that due to the synergistic effects, ammonia can increase the particle formation rate by up to 5 orders of magnitude compared to the two-component sulfuric acid-amine system.

sted, utgiver, år, opplag, sider
2019. Vol. 123, nr 12, s. 2420-2425
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Identifikatorer
URN: urn:nbn:se:su:diva-168613DOI: 10.1021/acs.jpca.9b00909ISI: 000463116200012PubMedID: 30821984OAI: oai:DiVA.org:su-168613DiVA, id: diva2:1315035
Tilgjengelig fra: 2019-05-10 Laget: 2019-05-10 Sist oppdatert: 2019-05-10bibliografisk kontrollert

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