Distribution of Organophosphate Esters between the Gas and Particle Phase-Model Predictions vs Measured Data
Jazyk angličtina Země Spojené státy americké Médium print-electronic
Typ dokumentu časopisecké články, práce podpořená grantem
PubMed
27144674
DOI
10.1021/acs.est.6b00199
Knihovny.cz E-zdroje
- MeSH
- atmosféra chemie MeSH
- estery * MeSH
- látky znečišťující vzduch * MeSH
- organofosfáty MeSH
- teoretické modely MeSH
- Publikační typ
- časopisecké články MeSH
- práce podpořená grantem MeSH
- Názvy látek
- estery * MeSH
- látky znečišťující vzduch * MeSH
- organofosfáty MeSH
Gas-particle partitioning is one of the key factors that affect the environmental fate of semivolatile organic chemicals. Many organophosphate esters (OPEs) have been reported to primarily partition to particles in the atmosphere. However, because of the wide range of their physicochemical properties, it is unlikely that OPEs are mainly in the particle phase "as a class". We compared gas-particle partitioning predictions for 32 OPEs made by the commonly used OECD POV and LRTP Screening Tool ("the Tool") with the partitioning models of Junge-Pankow (J-P) and Harner-Bidleman (H-B), as well as recently measured data on OPE gas-particle partitioning. The results indicate that half of the tested OPEs partition into the gas phase. Partitioning into the gas phase seems to be determined by an octanol-air partition coefficient (log KOA) < 10 and a subcooled liquid vapor pressure (log PL) > -5 (PL in Pa), as well as the total suspended particle concentration (TSP) in the sampling area. The uncertainty of the physicochemical property data of the OPEs did not change this estimate. Furthermore, the predictions by the Tool, J-P- and H-B-models agreed with recently measured OPE gas-particle partitioning.
Centre for Environment Fisheries and Aquaculture Science Lowestoft Suffolk NR33 0HT United Kingdom
Institute for Chemical and Bioengineering ETH Zürich 8093 Zürich Switzerland
RECETOX Masaryk University 625 00 Brno Czech Republic
University of Toronto Department of Earth Sciences 22 Russell Street Toronto Ontario Canada M5S 3B1
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