| Title: | Modeling the Time-Dependent Concentrations of Primary and Secondary Reaction Products of Ozone with Squalene in a University Classroom |
| Author(s): | Xiong J; He Z; Tang X; Misztal PK; Goldstein AH; |
| Address: | "School of Mechanical Engineering , Beijing Institute of Technology , Beijing 100081 , People's Republic of China. Indoor Environment Group, Energy Technologies Area , Lawrence Berkeley National Laboratory , Berkeley , California 94720 , United States. Centre for Ecology & Hydrology , Edinburgh , Midlothian EH26 0QB , United Kingdom" |
| ISSN/ISBN: | 1520-5851 (Electronic) 0013-936X (Linking) |
| Abstract: | "Volatile organic chemicals are produced from reactions of ozone with squalene in human skin oil. Both primary and secondary reaction products, i.e., 6-methyl-5-hepten-2-one (6-MHO) and 4-oxopentanal (4-OPA), have been reported in indoor occupied spaces. However, the abundance of these products indoors is a function of many variables, including the amount of ozone and occupants present as well as indoor removal processes. In this study, we develop a time-dependent kinetic model describing the behavior of ozone/squalene reaction products indoors, including the reaction process and physical adsorption process of products on indoor surfaces. The key parameters in the model were obtained by fitting time-resolved concentrations of 6-MHO, 4-OPA, and ozone in a university classroom on 1 day with multiple class sessions. The model predictions were subsequently tested against observations from four additional measurement days in the same classroom. Model predictions and experimental data agreed well (R(2) = 0.87-0.92) for all test days, including approximately 7 class sessions covering a range of occupants (10-70) and ozone concentrations (0.09-32 ppb), demonstrating the effectiveness of the model. Accounting for surface uptake of 6-MHO and 4-OPA significantly improved model predictions (R(2) = 0.52-0.76 without surface uptake), reflecting the importance of including surface interactions to quantitatively represent product behavior in indoor environments" |
| Keywords: | "*Air Pollution, Indoor Humans *Ozone Squalene Universities *Volatile Organic Compounds;" |
| Notes: | "MedlineXiong, Jianyin He, Zhangcan Tang, Xiaochen Misztal, Pawel K Goldstein, Allen H eng 2019/07/02 Environ Sci Technol. 2019 Jul 16; 53(14):8262-8270. doi: 10.1021/acs.est.9b02302. Epub 2019 Jul 1" |
