| Title: | Particle/gas partitioning for semi-volatile organic compounds (SVOCs) in level III multimedia fugacity models: Both gaseous and particulate emissions |
| Author(s): | Qin M; Yang PF; Hu PT; Hao S; Macdonald RW; Li YF; |
| Address: | "International Joint Research Center for Persistent Toxic Substances (IJRC-PTS), State Key Laboratory of Urban Water Resource and Environment, Harbin Institute of Technology (HIT), Harbin 150090, China; International Joint Research Center for Arctic Environment and Ecosystem (IJRC-AEE), Polar Academy/School of Environment, HIT, Harbin 150090, China; Heilongjiang Provincial Key Laboratory of Polar Environment and Ecosystem (HPKL-PEE), HIT, Harbin 150090, China. Institute of Ocean Sciences, Department of Fisheries and Oceans, P.O. Box 6000, Sidney, BC V8L 4B2, Canada; Centre for Earth Observation Science, University of Manitoba, Winnipeg R3T 2N2, Canada. International Joint Research Center for Persistent Toxic Substances (IJRC-PTS), State Key Laboratory of Urban Water Resource and Environment, Harbin Institute of Technology (HIT), Harbin 150090, China; International Joint Research Center for Arctic Environment and Ecosystem (IJRC-AEE), Polar Academy/School of Environment, HIT, Harbin 150090, China; Heilongjiang Provincial Key Laboratory of Polar Environment and Ecosystem (HPKL-PEE), HIT, Harbin 150090, China; IJRC-PTS, College of Environmental Science and Engineering, Dalian Maritime University, Dalian, China. Electronic address: dr_li_yifan@163.com" |
| DOI: | 10.1016/j.scitotenv.2021.148012 |
| ISSN/ISBN: | 1879-1026 (Electronic) 0048-9697 (Linking) |
| Abstract: | "Multimedia fugacity models have long been used to address the fate of toxic organic chemical emissions by providing a quantitative account of the sources, transport processes, and sinks. Recently, we have examined three level-III fugacity models (E4F (equilibrium six-compartment four-fugacity), S6F (steady-state six-compartment six-fugacity) and S4F (steady-state six-compartment four-fugacity) Models), in the context of their performance set against real-world data, and their practicality of application. Here, we discuss how the balance between gaseous and aerosol phases of emissions assumed for initial conditions affects the different model outcomes. Our results show that the S6F Model predictions closely match those of the S4F Model when chemical emissions are entirely in the gas-phase. As the particulate proportion of the emission increases, the S6F Model predictions diverge from those of the S4F Model and approach those of the E4F Model. Once the particulate portion reaches 100%, the S6F and E4F Models produce identical results: an internally inconsistent system where chemicals are not in a steady state between air and aerosols, and mass balance for both air and aerosols is not achieved. Thus, in terms of practicality, internal consistency, chemical mass balance and agreement with observations, the S4F Model is clearly the best choice" |
| Keywords: | *Air Pollutants/analysis Dust Gases Multimedia *Volatile Organic Compounds/analysis Level III fugacity models Particle/gas partition Semi-volatile organic compounds (SVOCs); |
| Notes: | "MedlineQin, Meng Yang, Pu-Fei Hu, Peng-Tuan Hao, Shuai Macdonald, Robie W Li, Yi-Fan eng Netherlands 2021/06/08 Sci Total Environ. 2021 Oct 10; 790:148012. doi: 10.1016/j.scitotenv.2021.148012. Epub 2021 May 26" |
