Quantitative relationship between the structures and properties of VOCs and SOA formation on the surfaces of acidic aerosol particles
| Autor: | Chunchun Zhang, Yaoze Liu, Junxian Chen, Shengping Yu, Xiaoqiong Feng, Keyi Ding, Junhui Chen, Chunxue Tang |
|---|---|
| Rok vydání: | 2021 |
| Předmět: |
Coefficient of determination
Materials science 010504 meteorology & atmospheric sciences Analytical chemistry General Physics and Astronomy 010501 environmental sciences 01 natural sciences Aerosol Atmosphere chemistry.chemical_compound Molecular dynamics chemistry Molecule Physical and Theoretical Chemistry Sulfate Diffusion (business) 0105 earth and related environmental sciences |
| Zdroj: | Physical Chemistry Chemical Physics. 23:12360-12370 |
| ISSN: | 1463-9084 1463-9076 |
| Popis: | In this research, all the efforts, based on a series of molecular dynamics simulations on the interfacial process between VOC-contaminated air and acidic sulfate, were made to find how the structures and properties of VOCs are related to the formation of SOAs. The experimental fractional aerosol coefficients (FACs) were used to quantify the SOA formation and 14 VOC species were chosen based on the atmosphere inventory and the FAC magnitude. Finally, the quantitative relationship (QR) was found through the FAC as a function of the two variables the total valid interactions (Tg) and the diffusion coefficient (D), with R square 0.94. Meanwhile, the effect of water was explored and the QR was proved to be rational and reliable. The QR not only explained the SOA formation capacity of VOCs, but could also predict the SOA formation of new molecules. |
| Databáze: | OpenAIRE |
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