@article {Zhang2021,
	title = {Physical{\textendash}Chemical Coupling Model for Characterizing the Reaction of Ozone with Squalene in Realistic Indoor Environments},
	journal = {Environmental Science \&amp; Technology},
	volume = {55},
	number = {3},
	year = {2021},
	month = {feb},
	pages = {1690{\textendash}1698},
	publisher = {American Chemical Society},
	abstract = {Squalene can react with indoor ozone to generate a series of volatile and semi-volatile organic compounds, some of which may be skin or respiratory irritants, causing adverse health effects. Better understanding of the ozone/squalene reaction and product transport characteristics is thus important. In this study, we developed a physical{\textendash}chemical coupling model to describe the behavior of ozone/squalene reaction products, that is, 6-methyl-5-hepten-2-one (6-MHO) and 4-oxopentanal (4-OPA) in the gas phase and skin, by considering the chemical reaction and physical transport processes (external convection, internal diffusion, and surface uptake). Experiments without intervention were performed in a single-family house in California utilizing time- and space-resolved measurements. The key parameters in the model were extracted from 5 day data and then used to predict the behaviors in some other days. Predictions from the present model can reproduce the concentration profiles of the three compounds (ozone, 6-MHO, and 4-OPA) well (R2 = 0.82{\textendash}0.89), indicating high accuracy of the model. Exposure analysis shows that the total amount of 6-MHO and 4-OPA entering the blood capillaries in 4 days can reach 14.6 and 30.1 $μ$g, respectively. The contribution of different sinks to ozone removal in the tested realistic indoor environment was also analyzed.},
	issn = {0013-936X},
	doi = {10.1021/acs.est.0c06216},
	url = {https://doi.org/10.1021/acs.est.0c06216},
	author = {Zhang, Meixia and Xiong, Jianyin and Liu, YingJun and Misztal, Pawel K. and Goldstein, Allen H}
}
