Please use this identifier to cite or link to this item: https://hdl.handle.net/11147/5990
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dc.contributor.authorShahpoury, Pourya-
dc.contributor.authorLammel, Gerhard-
dc.contributor.authorAlbinet, Alexandre-
dc.contributor.authorSofuoglu, Aysun-
dc.contributor.authorDumanoğlu, Yetkin-
dc.contributor.authorSofuoğlu, Sait Cemil-
dc.contributor.authorWagner, Zdenek-
dc.contributor.authorZdimal, Vladimír-
dc.date.accessioned2017-07-21T12:30:58Z
dc.date.available2017-07-21T12:30:58Z
dc.date.issued2016-11-15
dc.identifier.citationShahpoury, P., Lammel, G., Albinet, A., Sofuoǧlu, A., Dumanoğlu, Y., Sofuoğlu, S. C., Wagner, Z., and Zdimal, V. (2016). Evaluation of a conceptual model for gas-particle partitioning of polycyclic aromatic hydrocarbons using polyparameter linear free energy relationships. Environmental Science and Technology, 50(22), 12312-12319. doi:10.1021/acs.est.6b02158en_US
dc.identifier.issn0013-936X
dc.identifier.issn0013-936X-
dc.identifier.urihttp://doi.org/10.1021/acs.est.6b02158
dc.identifier.urihttp://hdl.handle.net/11147/5990
dc.description.abstractA model for gas-particle partitioning of polycyclic aromatic hydrocarbons (PAHs) was evaluated using polyparameter linear free energy relationships (ppLFERs) following a multiphase aerosol scenario. The model differentiates between various organic (i.e., liquid water-soluble (WS)/organic soluble (OS) organic matter (OM), and solid/semisolid organic polymers) and inorganic phases of the particulate matter (PM). Dimethyl sulfoxide and polyurethane were assigned as surrogates to simulate absorption into the above-mentioned organic phases, respectively, whereas soot, ammonium sulfate, and ammonium chloride simulated adsorption processes onto PM. The model was tested for gas and PM samples collected from urban and nonurban sites in Europe and the Mediterranean, and the output was compared with those calculated using single-parameter linear free energy relationship (spLFER) models, namely Junge-Pankow, Finizio, and Dachs-Eisenreich. The ppLFER model on average predicted 96 ± 3% of the observed partitioning constants for semivolatile PAHs, fluoranthene, and pyrene, within 1 order of magnitude accuracy with root-mean-square errors (RMSE) of 0.35-0.59 across the sites. This was a substantial improvement compared to Finizio and Dachs-Eisenreich models (37 ± 17 and 46 ± 18% and RMSE of 1.03-1.40 and 0.94-1.36, respectively). The Junge-Pankow model performed better among spLFERs but at the same time showed an overall tendency for overestimating the partitioning constants. The ppLFER model demonstrated the best overall performance without indicating a substantial intersite variability. The ppLFER analysis with the parametrization applied in this study suggests that the absorption into WSOSOM could dominate the overall partitioning process, while adsorption onto salts could be neglected. (Figure Presented).en_US
dc.description.sponsorshipGranting Agency of the Czech Republic (GACR) (P503/11/1230); Izmir Institute of Technology Scientific Research Foundation (2013-IYTE-14); Czech Ministry of Education, Youth and Sports (LO1214-LM2015051); French Ministry of Environment, Energy and Sea (MEEM)en_US
dc.language.isoenen_US
dc.publisherAmerican Chemical Societyen_US
dc.relation.ispartofEnvironmental Science and Technologyen_US
dc.rightsinfo:eu-repo/semantics/openAccessen_US
dc.subjectAromatic compoundsen_US
dc.subjectAromatic hydrocarbonsen_US
dc.subjectDimethyl sulfoxideen_US
dc.subjectFree energyen_US
dc.subjectOrganic polymersen_US
dc.subjectUrban growthen_US
dc.titleEvaluation of a conceptual model for gas-particle partitioning of polycyclic aromatic hydrocarbons using polyparameter linear free energy relationshipsen_US
dc.typeArticleen_US
dc.authoridTR27717en_US
dc.authoridTR59409en_US
dc.institutionauthorSofuoglu, Aysun-
dc.institutionauthorSofuoğlu, Sait Cemil-
dc.departmentIzmir Institute of Technology. Environmental Engineeringen_US
dc.identifier.volume50en_US
dc.identifier.issue22en_US
dc.identifier.startpage12312en_US
dc.identifier.endpage12319en_US
dc.identifier.wosWOS:000388155000029en_US
dc.identifier.scopus2-s2.0-84995968754en_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.identifier.doi10.1021/acs.est.6b02158-
dc.identifier.pmid27734681en_US
dc.relation.doi10.1021/acs.est.6b02158en_US
dc.coverage.doi10.1021/acs.est.6b02158en_US
dc.identifier.scopusqualityQ1-
item.openairecristypehttp://purl.org/coar/resource_type/c_18cf-
item.openairetypeArticle-
item.fulltextWith Fulltext-
item.cerifentitytypePublications-
item.grantfulltextopen-
item.languageiso639-1en-
crisitem.author.dept03.02. Department of Chemical Engineering-
crisitem.author.dept03.07. Department of Environmental Engineering-
Appears in Collections:Chemical Engineering / Kimya Mühendisliği
Environmental Engineering / Çevre Mühendisliği
PubMed İndeksli Yayınlar Koleksiyonu / PubMed Indexed Publications Collection
Scopus İndeksli Yayınlar Koleksiyonu / Scopus Indexed Publications Collection
Sürdürülebilir Yeşil Kampüs Koleksiyonu / Sustainable Green Campus Collection
WoS İndeksli Yayınlar Koleksiyonu / WoS Indexed Publications Collection
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