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Treatment of particle/gas partitioning using level III fugacity models in a six-compartment system

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Treatment of particle/gas partitioning using level III fugacity models in a six-compartment system
Li, Yi-Fan1,2,3; Qin, Meng1,2; Yang, Pu-Fei1,2; Liu, Li-Yan1,2; Zhou, Lin-Jun4; Liu, Ji-Ning4; Shi, Li-Li4; Qiao, Li-Na1,2,5; Hu, Peng-Tuan1,2; Tian, Chong-Guo6; Nikolaev, Anatoly7; Macdonald, Robie8
发表期刊CHEMOSPHERE
ISSN0045-6535
2021-05-01
卷号271页码:14
关键词Fugacity modelEquilibriumSteady stateParticle/gas partitionSVOCs
DOI10.1016/j.chemosphere.2021.129580
通讯作者Li, Yi-Fan(dr_li_yifan@163.com)
英文摘要In this paper, two level III fugacity models are developed and applied using an environmental system containing six compartments, including air, aerosols, soil, water, suspended particulate matters (SPMs), and sediments, as a "unit world". The first model, assumes equilibrium between air and aerosols and between water and SPMs. These assumptions lead to a four-fugacity model. The second model removes these two assumptions leading to a six-fugacity model. The two models, compared using four PBDE congeners, BDE-28, -99, -153, and -209, with a steady flux of gaseous congeners entering the air, lead to the following conclusions. 1. When the octanol-air partition coefficient (K-OA) is less than 10(11.4), the two models produce similar results; when K-OA > 10(11.4), and especially when K-OA > 10(12.5), the model results diverge significantly. 2. Chemicals are in an imposed equilibrium in the four-fugacity model, but in a steady state and not necessary an equilibrium in the six-fugacity model, between air and aerosols. 3. The results from the six-fugacity model indicate an internally consistent system with chemicals in steady state in all six compartments, whereas the four-fugacity model presents an internally inconsistent system where chemicals are in equilibrium but not a steady state between air and aerosols. 4. Chemicals are mass balanced in air and aerosols predicted by the six-fugacity model but not by the four-fugacity model. If the mass balance in air and aerosols is achieved in the four-fugacity model, the condition of equilibrium between air and aerosols will be no longer valid. (C) 2021 Elsevier Ltd. All rights reserved.
资助机构National Key Research and Development Program of China; Polar Academy, Harbin Institute of Technology; State Key Laboratory of Urban Water Resource and Environment (Harbin Institute of Technology)
收录类别SCI
语种英语
研究领域[WOS]Environmental Sciences & Ecology
WOS记录号WOS:000633464400079
引用统计被引频次:3[WOS][WOS记录][WOS相关记录]
文献类型期刊论文
条目标识符http://ir.yic.ac.cnhttp://ir.yic.ac.cn/handle/133337/27330
专题中科院海岸带环境过程与生态修复重点实验室_海岸带环境过程实验室
中科院海岸带环境过程与生态修复重点实验室

通讯作者Li, Yi-Fan作者单位1.Harbin Inst Technol, State Key Lab Urban Water Resource & Environm, Int Joint Res Ctr Persistent Tox Subst IJRC PTS, Sch Environm, Harbin 150090, Peoples R China
2.Harbin Inst Technol, Int Joint Res Ctr Arctic Environm & Ecosyst IJRC, Polar Acad, Harbin 150090, Peoples R China
3.IJRC PTS NA, Toronto, ON M2N 6X9, Canada
4.Minist Ecol & Environm, Nanjing Inst Environm Sci, Nanjing 210042, Peoples R China
5.Shandong Univ, Marine Coll, Dept Marine Sci, Weihai 264209, Peoples R China
6.Chinese Acad Sci, Yantai Inst Coastal Zone Res, Yantai, Peoples R China
7.North Eastern Fed Univ, Inst Nat Sci, Yakutsk, Sakha Republic, Russia
8.Inst Ocean Sci, Dept Fisheries & Oceans, POB 6000, Sidney, BC V8L 4B2, Canada

推荐引用方式
GB/T 7714Li, Yi-Fan,Qin, Meng,Yang, Pu-Fei,et al. Treatment of particle/gas partitioning using level III fugacity models in a six-compartment system[J]. CHEMOSPHERE,2021,271:14.
APALi, Yi-Fan.,Qin, Meng.,Yang, Pu-Fei.,Liu, Li-Yan.,Zhou, Lin-Jun.,...&Macdonald, Robie.(2021).Treatment of particle/gas partitioning using level III fugacity models in a six-compartment system.CHEMOSPHERE,271,14.
MLALi, Yi-Fan,et al."Treatment of particle/gas partitioning using level III fugacity models in a six-compartment system".CHEMOSPHERE 271(2021):14.


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