Distribution of Organophosphate Esters between the Gas and
Particle Phase-Model Predictions vs Measured Data

J 2016

Distribution of Organophosphate Esters between the Gas and Particle Phase-Model Predictions vs Measured Data

SUHRING, Roxana, Hendrik WOLSCHKE, Miriam L. DIAMOND, Liisa M. JANTUNEN, Martin SCHERINGER et. al.

Basic information

Original name

Distribution of Organophosphate Esters between the Gas and Particle Phase-Model Predictions vs Measured Data

Authors

SUHRING, Roxana (276 Germany), Hendrik WOLSCHKE (276 Germany), Miriam L. DIAMOND (124 Canada), Liisa M. JANTUNEN (124 Canada) and Martin SCHERINGER (756 Switzerland, guarantor, belonging to the institution)

Edition

ENVIRONMENTAL SCIENCE & TECHNOLOGY, WASHINGTON, AMER CHEMICAL SOC, 2016, 0013-936X

Other information

Language

English

Type of outcome

Článek v odborném periodiku

Field of Study

30304 Public and environmental health

Country of publisher

United States of America

Confidentiality degree

není předmětem státního či obchodního tajemství

References:

URL

Impact factor

Impact factor: 6.198

RIV identification code

RIV/00216224:14310/16:00093536

Organization unit

Faculty of Science

DOI

http://dx.doi.org/10.1021/acs.est.6b00199

UT WoS

000379366300009

Keywords in English

POLYCYCLIC AROMATIC-HYDROCARBONS; PHYSICAL-CHEMICAL PROPERTIES; FLAME RETARDANTS; ORGANIC-COMPOUNDS; ATMOSPHERE; PLASTICIZERS; INDOOR; FATE; AIR; PERSISTENCE

Abstract

V originále

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 Hamer-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 K-OA) < 10 and a subcooled liquid vapor pressure (log P-L) > -5 (P-L 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.

Links

EF15_003/0000469, research and development project

Name: Cetocoen Plus

LM2015051, research and development project

Name: Centrum pro výzkum toxických látek v prostředí (Acronym: RECETOX RI)

Investor: Ministry of Education, Youth and Sports of the CR

Citovat

SUHRING, Roxana, Hendrik WOLSCHKE, Miriam L. DIAMOND, Liisa M. JANTUNEN and Martin SCHERINGER. Distribution of Organophosphate Esters between the Gas and Particle Phase-Model Predictions vs Measured Data. ENVIRONMENTAL SCIENCE & TECHNOLOGY. WASHINGTON: AMER CHEMICAL SOC, 2016, vol. 50, No 13, p. 6644-6651. ISSN 0013-936X. Available from: https://dx.doi.org/10.1021/acs.est.6b00199.

@article{1372496,
   author = {Suhring, Roxana and Wolschke, Hendrik and Diamond, Miriam L. and Jantunen, Liisa M. and Scheringer, Martin},
   article_location = {WASHINGTON},
   article_number = {13},
   doi = {http://dx.doi.org/10.1021/acs.est.6b00199},
   keywords = {POLYCYCLIC AROMATIC-HYDROCARBONS; PHYSICAL-CHEMICAL PROPERTIES; FLAME RETARDANTS; ORGANIC-COMPOUNDS; ATMOSPHERE; PLASTICIZERS; INDOOR; FATE; AIR; PERSISTENCE},
   language = {eng},
   issn = {0013-936X},
   journal = {ENVIRONMENTAL SCIENCE & TECHNOLOGY},
   title = {Distribution of Organophosphate Esters between the Gas and Particle Phase-Model Predictions vs Measured Data},
   url = {http://pubs.acs.org/doi/abs/10.1021/acs.est.6b00199},
   volume = {50},
   year = {2016}
}

TY  - JOUR
ID  - 1372496
AU  - Suhring, Roxana - Wolschke, Hendrik - Diamond, Miriam L. - Jantunen, Liisa M. - Scheringer, Martin
PY  - 2016
TI  - Distribution of Organophosphate Esters between the Gas and Particle Phase-Model Predictions vs Measured Data
JF  - ENVIRONMENTAL SCIENCE & TECHNOLOGY
VL  - 50
IS  - 13
SP  - 6644-6651
EP  - 6644-6651
PB  - AMER CHEMICAL SOC
SN  - 0013936X
KW  - POLYCYCLIC AROMATIC-HYDROCARBONS
KW  - PHYSICAL-CHEMICAL PROPERTIES
KW  - FLAME RETARDANTS
KW  - ORGANIC-COMPOUNDS
KW  - ATMOSPHERE
KW  - PLASTICIZERS
KW  - INDOOR
KW  - FATE
KW  - AIR
KW  - PERSISTENCE
UR  - http://pubs.acs.org/doi/abs/10.1021/acs.est.6b00199
L2  - http://pubs.acs.org/doi/abs/10.1021/acs.est.6b00199
N2  - 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 Hamer-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 K-OA) < 10 and a subcooled liquid vapor pressure (log P-L) > -5 (P-L 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.
ER  -

SUHRING, Roxana, Hendrik WOLSCHKE, Miriam L. DIAMOND, Liisa M. JANTUNEN and Martin SCHERINGER. Distribution of Organophosphate Esters between the Gas and Particle Phase-Model Predictions vs Measured Data. \textit{ENVIRONMENTAL SCIENCE \&{}amp; TECHNOLOGY}. WASHINGTON: AMER CHEMICAL SOC, 2016, vol.~50, No~13, p.~6644-6651. ISSN~0013-936X. Available from: https://dx.doi.org/10.1021/acs.est.6b00199.

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