AI Article Synopsis
- - Iodic acid (IA) is important for new particle formation (NPF) in marine atmospheres, but there's limited knowledge about which atmospheric vapors can enhance this process.
- - A study evaluated 63 potential precursors for their ability to enhance IA-induced NPF, finding that 44 of the dimer clusters formed with IA contained unique halogen bonds (XBs), indicating their frequent formation.
- - Among the precursors, diethylamine (DEA) was identified as having the highest enhancing potential, with its combination with IA yielding nucleation rates comparable to those seen in the IA-iodous acid system at low concentrations.
Article Abstract
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 (Δ) of the IA-containing dimer clusters. Among all dimer clusters, 44 contained XBs, demonstrating that XBs are frequently formed. Based on the calculated Δ 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 Δ and atmospheric concentration of considered 63 precursors. Finally, by studying larger (IA)(DEA) clusters, we found that the IA-DEA system with merely 0.1 ppt (2.5×10 cm) DEA yields comparable nucleation rates to that of the IA-iodous acid system.
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|---|---|
| http://www.ncbi.nlm.nih.gov/pmc/articles/PMC10157892 | PMC |
| http://dx.doi.org/10.1021/acs.est.3c01034 | DOI Listing |
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