Global S&T Development Trend Analysis Platform of Resources and Environment
DOI | 10.5194/acp-19-9753-2019 |
Role of base strength, cluster structure and charge in sulfuric-acid-driven particle formation | |
Myllys, Nanna1,2; Kubecka, Jakub2; Besel, Vitus2; Alfaouri, Dina2; Olenius, Tinja3,4; Smith, James Norman1; Passananti, Monica2,5 | |
2019-08-02 | |
发表期刊 | ATMOSPHERIC CHEMISTRY AND PHYSICS
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ISSN | 1680-7316 |
EISSN | 1680-7324 |
出版年 | 2019 |
卷号 | 19期号:15页码:9753-9768 |
文章类型 | Article |
语种 | 英语 |
国家 | USA; Finland; Sweden; Italy |
英文摘要 | In atmospheric sulfuric-acid-driven particle formation, bases are able to stabilize the initial molecular clusters and thus enhance particle formation. The enhancing potential of a stabilizing base is affected by different factors, such as the basicity and abundance. Here we use weak (ammonia), medium strong (dimethylamine) and very strong (guanidine) bases as representative atmospheric base compounds, and we systematically investigate their ability to stabilize sulfuric acid clusters. Using quantum chemistry, we study proton transfer as well as intermolecular interactions and symmetry in clusters, of which the former is directly related to the base strength and the latter to the structural effects. Based on the theoretical cluster stabilities and cluster population kinetics modeling, we provide molecular-level mechanisms of cluster growth and show that in electrically neutral particle formation, guanidine can dominate formation events even at relatively low concentrations. However, when ions are involved, charge effects can also stabilize small clusters for weaker bases. In this case the atmospheric abundance of the bases becomes more important, and thus ammonia is likely to play a key role. The theoretical findings are validated by cluster distribution experiments, as well as comparisons to previously reported particle formation rates, showing a good agreement. |
领域 | 地球科学 |
收录类别 | SCI-E |
WOS记录号 | WOS:000478696200002 |
WOS关键词 | GUANIDINO COMPOUNDS ; NUCLEATION ; GROWTH ; DIMETHYLAMINE ; AMMONIA ; AMINES ; NANOPARTICLES ; METHYLAMINE ; DIAMINES ; IONS |
WOS类目 | Environmental Sciences ; Meteorology & Atmospheric Sciences |
WOS研究方向 | Environmental Sciences & Ecology ; Meteorology & Atmospheric Sciences |
引用统计 | |
文献类型 | 期刊论文 |
条目标识符 | http://119.78.100.173/C666/handle/2XK7JSWQ/185902 |
专题 | 地球科学 |
作者单位 | 1.Univ Calif Irvine, Dept Chem, Irvine, CA 92717 USA; 2.Univ Helsinki, Inst Atmospher & Earth Syst Res, Helsinki, Finland; 3.Stockholm Univ, Dept Environm Sci & Analyt Chem, Stockholm, Sweden; 4.Stockholm Univ, Bolin Ctr Climate Res, Stockholm, Sweden; 5.Univ Torino, Dipartimento Chim, Turin, Italy |
推荐引用方式 GB/T 7714 | Myllys, Nanna,Kubecka, Jakub,Besel, Vitus,et al. Role of base strength, cluster structure and charge in sulfuric-acid-driven particle formation[J]. ATMOSPHERIC CHEMISTRY AND PHYSICS,2019,19(15):9753-9768. |
APA | Myllys, Nanna.,Kubecka, Jakub.,Besel, Vitus.,Alfaouri, Dina.,Olenius, Tinja.,...&Passananti, Monica.(2019).Role of base strength, cluster structure and charge in sulfuric-acid-driven particle formation.ATMOSPHERIC CHEMISTRY AND PHYSICS,19(15),9753-9768. |
MLA | Myllys, Nanna,et al."Role of base strength, cluster structure and charge in sulfuric-acid-driven particle formation".ATMOSPHERIC CHEMISTRY AND PHYSICS 19.15(2019):9753-9768. |
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