| Zdroj: |
Ma, F, Xie, H-B, Zhang, R, Su, L, Jiang, Q, Tang, W, Chen, J, Engsvang, M, Elm, J & He, X-C 2023, ' Enhancement of Atmospheric Nucleation Precursors on Iodic Acid-Induced Nucleation : Predictive Model and Mechanism ', Environmental Science & Technology, vol. 57, no. 17, pp. 6944-6954 . https://doi.org/10.1021/acs.est.3c01034 |
| Popis: |
Iodic acid (IA) has recently been recognized as a key driver for new particle formation (NPF) in marine atmospheres. However, the knowledge of which atmospheric vapors can enhance IA-induced NPF remains limited. The unique halogen bond (XB)-forming capacity of IA makes it difficult to evaluate the enhancing potential (EP) of target compounds on IA-induced NPF based on widely studied sulfuric acid systems. Herein, we employed a three-step procedure to evaluate the EP of potential atmospheric nucleation precursors on IA-induced NPF. First, we evaluated the EP of 63 precursors by simulating the formation free energies (ΔG) of the IA-containing dimer clusters. Among all dimer clusters, 44 contained XBs, demonstrating that XBs are frequently formed. Based on the calculated ΔG values, a quantitative structure-activity relationship model was developed for evaluating the EP of other precursors. Second, amines and O/S-atom-containing acids were found to have high EP, with diethylamine (DEA) yielding the highest potential to enhance IA-induced nucleation by combining both the calculated ΔG and atmospheric concentration of considered 63 precursors. Finally, by studying larger (IA)1-3(DEA)1-3 clusters, we found that the IA-DEA system with merely 0.1 ppt (2.5×106 cm-3) DEA yields comparable nucleation rates to that of the IA-iodous acid system. |
