Evaluation of gas-particle partitioning in a regional air
quality model for organic pollutants

J 2016

Evaluation of gas-particle partitioning in a regional air quality model for organic pollutants

EFSTATHIOU, Christos, Jana MATEJOVIČOVÁ, Johannes BIESER and Gerhard LAMMEL

Basic information

Original name

Evaluation of gas-particle partitioning in a regional air quality model for organic pollutants

Authors

EFSTATHIOU, Christos (300 Greece, belonging to the institution), Jana MATEJOVIČOVÁ (703 Slovakia, belonging to the institution), Johannes BIESER (276 Germany) and Gerhard LAMMEL (276 Germany, guarantor, belonging to the institution)

Edition

Atmospheric Chemistry and Physics, GOTTINGEN, European Geosciences Union, 2016, 1680-7316

Other information

Language

English

Type of outcome

Článek v odborném periodiku

Field of Study

10500 1.5. Earth and related environmental sciences

Country of publisher

Germany

Confidentiality degree

není předmětem státního či obchodního tajemství

References:

URL

Impact factor

Impact factor: 5.318

RIV identification code

RIV/00216224:14310/16:00088671

Organization unit

Faculty of Science

DOI

http://dx.doi.org/10.5194/acp-16-15327-2016

UT WoS

000390767800005

Keywords in English

POLYCYCLIC AROMATIC-HYDROCARBONS; LONG-RANGE TRANSPORT; DYNAMICALLY CONSISTENT FORMULATIONS; BULK MICROPHYSICS PARAMETERIZATION; RESPIRABLE AIRBORNE PARTICLES; NORTHEASTERN UNITED-STATES

Abstract

V originále

Persistent organic pollutants (POPs) are of considerable concern due to their well-recognized toxicity and their potential to bioaccumulate and engage in long-range transport. This work describes the extension of the Community Multiscale Air Quality (CMAQ) modelling system to POPs with a focus on establishing an adaptable framework that accounts for gaseous chemistry, heterogeneous reactions, and gas-particle partitioning (GPP). The effect of GPP is assessed by implementing a set of independent parameterizations within the CMAQ aerosol module, including the Junge-Pankow (JP) adsorption model, the Harner-Bidleman (HB) organic matter (OM) absorption model, and the dual Dachs-Eisenreich (DE) black carbon (BC) adsorption and OM absorption model. Use of these descriptors in a modified version of CMAQ for benzo[a]pyrene (BaP) results in different fate and transport patterns as demonstrated by regional-scale simulations performed for a European domain during 2006. The dual DE model predicted 24.1% higher average domain concentrations compared to the HB model, which was in turn predicting 119.2% higher levels compared to the baseline JP model. It is found that the heterogeneous reaction of BaP with O-3 may decrease its atmospheric lifetime by 25.2% (domain and annual average) and near-ground concentrations by 18.8 %. Marginally better model performance was found for one of the six EMEP stations (Kosetice) when heterogeneous BaP reactivity was included. Further analysis shows that, for the rest of the EMEP locations, the model continues to underestimate BaP levels, an observation that can be attributed to low emission estimates for such remote areas. These findings suggest that, when modelling the fate and transport of organic pollutants on large spatio-temporal scales, the selection and parameterization of GPP can be as important as degradation (reactivity).

Links

GAP503/11/1230, research and development project

Name: Perzistentní organické polutanty v atmosférických aerosolech: Procesy, které ovlivňují dálkový transport v Evropě.

Investor: Czech Science Foundation

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

LO1214, research and development project

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

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

Citovat

EFSTATHIOU, Christos, Jana MATEJOVIČOVÁ, Johannes BIESER and Gerhard LAMMEL. Evaluation of gas-particle partitioning in a regional air quality model for organic pollutants. Atmospheric Chemistry and Physics. GOTTINGEN: European Geosciences Union, 2016, vol. 16, No 23, p. 15327-15345. ISSN 1680-7316. Available from: https://dx.doi.org/10.5194/acp-16-15327-2016.

@article{1372521,
   author = {Efstathiou, Christos and Matejovičová, Jana and Bieser, Johannes and Lammel, Gerhard},
   article_location = {GOTTINGEN},
   article_number = {23},
   doi = {http://dx.doi.org/10.5194/acp-16-15327-2016},
   keywords = {POLYCYCLIC AROMATIC-HYDROCARBONS; LONG-RANGE TRANSPORT; DYNAMICALLY CONSISTENT FORMULATIONS; BULK MICROPHYSICS PARAMETERIZATION; RESPIRABLE AIRBORNE PARTICLES; NORTHEASTERN UNITED-STATES},
   language = {eng},
   issn = {1680-7316},
   journal = {Atmospheric Chemistry and Physics},
   title = {Evaluation of gas-particle partitioning in a regional air quality model for organic pollutants},
   url = {http://www.atmos-chem-phys.net/16/15327/2016/},
   volume = {16},
   year = {2016}
}

TY  - JOUR
ID  - 1372521
AU  - Efstathiou, Christos - Matejovičová, Jana - Bieser, Johannes - Lammel, Gerhard
PY  - 2016
TI  - Evaluation of gas-particle partitioning in a regional air quality model for organic pollutants
JF  - Atmospheric Chemistry and Physics
VL  - 16
IS  - 23
SP  - 15327-15345
EP  - 15327-15345
PB  - European Geosciences Union
SN  - 16807316
KW  - POLYCYCLIC AROMATIC-HYDROCARBONS
KW  - LONG-RANGE TRANSPORT
KW  - DYNAMICALLY CONSISTENT FORMULATIONS
KW  - BULK MICROPHYSICS PARAMETERIZATION
KW  - RESPIRABLE AIRBORNE PARTICLES
KW  - NORTHEASTERN UNITED-STATES
UR  - http://www.atmos-chem-phys.net/16/15327/2016/
L2  - http://www.atmos-chem-phys.net/16/15327/2016/
N2  - Persistent organic pollutants (POPs) are of considerable concern due to their well-recognized toxicity and their potential to bioaccumulate and engage in long-range transport. This work describes the extension of the Community Multiscale Air Quality (CMAQ) modelling system to POPs with a focus on establishing an adaptable framework that accounts for gaseous chemistry, heterogeneous reactions, and gas-particle partitioning (GPP). The effect of GPP is assessed by implementing a set of independent parameterizations within the CMAQ aerosol module, including the Junge-Pankow (JP) adsorption model, the Harner-Bidleman (HB) organic matter (OM) absorption model, and the dual Dachs-Eisenreich (DE) black carbon (BC) adsorption and OM absorption model. Use of these descriptors in a modified version of CMAQ for benzo[a]pyrene (BaP) results in different fate and transport patterns as demonstrated by regional-scale simulations performed for a European domain during 2006. The dual DE model predicted 24.1% higher average domain concentrations compared to the HB model, which was in turn predicting 119.2% higher levels compared to the baseline JP model. It is found that the heterogeneous reaction of BaP with O-3 may decrease its atmospheric lifetime by 25.2% (domain and annual average) and near-ground concentrations by 18.8 %. Marginally better model performance was found for one of the six EMEP stations (Kosetice) when heterogeneous BaP reactivity was included. Further analysis shows that, for the rest of the EMEP locations, the model continues to underestimate BaP levels, an observation that can be attributed to low emission estimates for such remote areas. These findings suggest that, when modelling the fate and transport of organic pollutants on large spatio-temporal scales, the selection and parameterization of GPP can be as important as degradation (reactivity).
ER  -

EFSTATHIOU, Christos, Jana MATEJOVIČOVÁ, Johannes BIESER and Gerhard LAMMEL. Evaluation of gas-particle partitioning in a regional air quality model for organic pollutants. \textit{Atmospheric Chemistry and Physics}. GOTTINGEN: European Geosciences Union, 2016, vol.~16, No~23, p.~15327-15345. ISSN~1680-7316. Available from: https://dx.doi.org/10.5194/acp-16-15327-2016.

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