Issue 21, 2021

Quantitative relationship between the structures and properties of VOCs and SOA formation on the surfaces of acidic aerosol particles

Abstract

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.

Graphical abstract: Quantitative relationship between the structures and properties of VOCs and SOA formation on the surfaces of acidic aerosol particles

Supplementary files

Article information

Article type
Paper
Submitted
01 Apr 2021
Accepted
26 Apr 2021
First published
27 Apr 2021

Phys. Chem. Chem. Phys., 2021,23, 12360-12370

Quantitative relationship between the structures and properties of VOCs and SOA formation on the surfaces of acidic aerosol particles

C. Tang, K. Ding, Y. Liu, S. Yu, J. Chen, X. Feng, C. Zhang and J. Chen, Phys. Chem. Chem. Phys., 2021, 23, 12360 DOI: 10.1039/D1CP01428E

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