| Title: | Physical-Chemical Coupling Model for Characterizing the Reaction of Ozone with Squalene in Realistic Indoor Environments |
| Author(s): | Zhang M; Xiong J; Liu Y; Misztal PK; Goldstein AH; |
| Address: | "School of Mechanical Engineering, Beijing Institute of Technology, Beijing 100081, China. Department of Environmental Science, Policy and Management, University of California, Berkeley, California 94720, United States. BIC-ESAT and SKL-ESPC, College of Environmental Sciences and Engineering, Peking University, Beijing 100871, China. Department of Civil, Architectural and Environmental Engineering, University of Texas at Austin, Austin, Texas 78712, United States. Department of Civil and Environmental Engineering, University of California, Berkeley, California 94720, United States" |
| ISSN/ISBN: | 1520-5851 (Electronic) 0013-936X (Linking) |
| 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-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 (R(2) = 0.82-0.89), 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 mug, respectively. The contribution of different sinks to ozone removal in the tested realistic indoor environment was also analyzed" |
| Keywords: | "*Air Pollution, Indoor/analysis Models, Theoretical *Ozone/analysis Squalene *Volatile Organic Compounds/analysis;" |
| Notes: | "MedlineZhang, Meixia Xiong, Jianyin Liu, Yingjun Misztal, Pawel K Goldstein, Allen H eng Research Support, Non-U.S. Gov't 2021/01/20 Environ Sci Technol. 2021 Feb 2; 55(3):1690-1698. doi: 10.1021/acs.est.0c06216. Epub 2021 Jan 19" |
