Heterogeneous OH Oxidation, Shielding Effects, and Implications
for the Atmospheric Fate of Terbuthylazine and Other Pesticides

J 2017

Heterogeneous OH Oxidation, Shielding Effects, and Implications for the Atmospheric Fate of Terbuthylazine and Other Pesticides

SOCORRO, Joanna, Pascale S. J. LAKEY, Lei HAN, Thomas BERKEMEIER, Gerhard LAMMEL et. al.

Basic information

Original name

Heterogeneous OH Oxidation, Shielding Effects, and Implications for the Atmospheric Fate of Terbuthylazine and Other Pesticides

Authors

SOCORRO, Joanna (276 Germany), Pascale S. J. LAKEY (840 United States of America), Lei HAN (276 Germany), Thomas BERKEMEIER (840 United States of America), Gerhard LAMMEL (276 Germany, guarantor, belonging to the institution), Cornelius ZETZSCH (276 Germany), Ulrich POSCHL (276 Germany) and Manabu SHIRAIWA (840 United States of America)

Edition

ENVIRONMENTAL SCIENCE AND TECHNOLOGY, WASHINGTON, AMER CHEMICAL SOC, 2017, 0013-936X

Other information

Language

English

Type of outcome

Článek v odborném periodiku

Field of Study

10511 Environmental sciences

Country of publisher

United States of America

Confidentiality degree

není předmětem státního či obchodního tajemství

References:

URL

Impact factor

Impact factor: 6.653

RIV identification code

RIV/00216224:14310/17:00100078

Organization unit

Faculty of Science

DOI

http://dx.doi.org/10.1021/acs.est.7b04307

UT WoS

000417549500024

Keywords in English

POLYCYCLIC AROMATIC-HYDROCARBONS; MULTIPHASE CHEMICAL-KINETICS; SECONDARY ORGANIC AEROSOLS; CURRENTLY-USED PESTICIDES; PARTICLE PHASE STATE; REACTIVE UPTAKE; AMBIENT AIR; GAS UPTAKE; OZONOLYSIS KINETICS; RADICAL REACTIVITY

Abstract

V originále

Terbuthylazine (TBA) is a widely used herbicide, and its heterogeneous reaction with OH radicals is important for assessing its potential to undergo atmospheric long-range transport and to affect the environment and public health. The apparent reaction rate coefficients obtained in different experimental investigations, however, vary by orders of magnitude depending on the applied experimental techniques and conditions. In this study; we used a kinetic multilayer model of aerosol chemistry with reversible surface adsorption and bulk diffusion (KM-SUB) in combination with a Monte Carlo genetic algorithm to simulate the measured decay rates of, TBA. Two experimental data sets available from different studies can be described with a consistent set of kinetic parameters resolving the interplay of chemical reaction, mass transport, and shielding effects. Our study suggests that mass transport and shielding effects can substantially extend the atmospheric lifetime of reactive pesticides from a few days to weeks, with strong implications for long-range transport and potential health effects of these substances.

Citovat

SOCORRO, Joanna, Pascale S. J. LAKEY, Lei HAN, Thomas BERKEMEIER, Gerhard LAMMEL, Cornelius ZETZSCH, Ulrich POSCHL and Manabu SHIRAIWA. Heterogeneous OH Oxidation, Shielding Effects, and Implications for the Atmospheric Fate of Terbuthylazine and Other Pesticides. ENVIRONMENTAL SCIENCE AND TECHNOLOGY. WASHINGTON: AMER CHEMICAL SOC, 2017, vol. 51, No 23, p. 13749-13754. ISSN 0013-936X. Available from: https://dx.doi.org/10.1021/acs.est.7b04307.

@article{1409140,
   author = {Socorro, Joanna and Lakey, Pascale S. J. and Han, Lei and Berkemeier, Thomas and Lammel, Gerhard and Zetzsch, Cornelius and Poschl, Ulrich and Shiraiwa, Manabu},
   article_location = {WASHINGTON},
   article_number = {23},
   doi = {http://dx.doi.org/10.1021/acs.est.7b04307},
   keywords = {POLYCYCLIC AROMATIC-HYDROCARBONS; MULTIPHASE CHEMICAL-KINETICS; SECONDARY ORGANIC AEROSOLS; CURRENTLY-USED PESTICIDES; PARTICLE PHASE STATE; REACTIVE UPTAKE; AMBIENT AIR; GAS UPTAKE; OZONOLYSIS KINETICS; RADICAL REACTIVITY},
   language = {eng},
   issn = {0013-936X},
   journal = {ENVIRONMENTAL SCIENCE AND TECHNOLOGY},
   title = {Heterogeneous OH Oxidation, Shielding Effects, and Implications for the Atmospheric Fate of Terbuthylazine and Other Pesticides},
   url = {https://pubs.acs.org/doi/10.1021/acs.est.7b04307},
   volume = {51},
   year = {2017}
}

TY  - JOUR
ID  - 1409140
AU  - Socorro, Joanna - Lakey, Pascale S. J. - Han, Lei - Berkemeier, Thomas - Lammel, Gerhard - Zetzsch, Cornelius - Poschl, Ulrich - Shiraiwa, Manabu
PY  - 2017
TI  - Heterogeneous OH Oxidation, Shielding Effects, and Implications for the Atmospheric Fate of Terbuthylazine and Other Pesticides
JF  - ENVIRONMENTAL SCIENCE AND TECHNOLOGY
VL  - 51
IS  - 23
SP  - 13749-13754
EP  - 13749-13754
PB  - AMER CHEMICAL SOC
SN  - 0013936X
KW  - POLYCYCLIC AROMATIC-HYDROCARBONS
KW  - MULTIPHASE CHEMICAL-KINETICS
KW  - SECONDARY ORGANIC AEROSOLS
KW  - CURRENTLY-USED PESTICIDES
KW  - PARTICLE PHASE STATE
KW  - REACTIVE UPTAKE
KW  - AMBIENT AIR
KW  - GAS UPTAKE
KW  - OZONOLYSIS KINETICS
KW  - RADICAL REACTIVITY
UR  - https://pubs.acs.org/doi/10.1021/acs.est.7b04307
L2  - https://pubs.acs.org/doi/10.1021/acs.est.7b04307
N2  - Terbuthylazine (TBA) is a widely used herbicide, and its heterogeneous reaction with OH radicals is important for assessing its potential to undergo atmospheric long-range transport and to affect the environment and public health. The apparent reaction rate coefficients obtained in different experimental investigations, however, vary by orders of magnitude depending on the applied experimental techniques and conditions. In this study; we used a kinetic multilayer model of aerosol chemistry with reversible surface adsorption and bulk diffusion (KM-SUB) in combination with a Monte Carlo genetic algorithm to simulate the measured decay rates of, TBA. Two experimental data sets available from different studies can be described with a consistent set of kinetic parameters resolving the interplay of chemical reaction, mass transport, and shielding effects. Our study suggests that mass transport and shielding effects can substantially extend the atmospheric lifetime of reactive pesticides from a few days to weeks, with strong implications for long-range transport and potential health effects of these substances.
ER  -

SOCORRO, Joanna, Pascale S. J. LAKEY, Lei HAN, Thomas BERKEMEIER, Gerhard LAMMEL, Cornelius ZETZSCH, Ulrich POSCHL and Manabu SHIRAIWA. Heterogeneous OH Oxidation, Shielding Effects, and Implications for the Atmospheric Fate of Terbuthylazine and Other Pesticides. \textit{ENVIRONMENTAL SCIENCE AND TECHNOLOGY}. WASHINGTON: AMER CHEMICAL SOC, 2017, vol.~51, No~23, p.~13749-13754. ISSN~0013-936X. Available from: https://dx.doi.org/10.1021/acs.est.7b04307.

Detailed Information on Publication Record