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Steady-State Mass Balance Model for Predicting Particle–Gas Concentration Ratios of PBDEs
[Image: see text] Assuming equilibrium partitioning between the gas and particle phases has been shown to overestimate the fraction of low-volatility chemicals in the particle phase. Here, we present a new steady-state mass balance model that includes separate compartments for fine and coarse aeroso...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
American
Chemical Society
2020
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Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8296681/ https://www.ncbi.nlm.nih.gov/pubmed/33283506 http://dx.doi.org/10.1021/acs.est.0c04368 |
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author | Zhao, Fangyuan Riipinen, Ilona MacLeod, Matthew |
author_facet | Zhao, Fangyuan Riipinen, Ilona MacLeod, Matthew |
author_sort | Zhao, Fangyuan |
collection | PubMed |
description | [Image: see text] Assuming equilibrium partitioning between the gas and particle phases has been shown to overestimate the fraction of low-volatility chemicals in the particle phase. Here, we present a new steady-state mass balance model that includes separate compartments for fine and coarse aerosols and the gas phase and study its sensitivity to the input parameters. We apply the new model to investigate deviations from equilibrium partitioning by exploring model scenarios for seven generic aerosol scenarios representing different environments and different distributions of emissions as the gas phase, fine aerosol, and coarse aerosol. With 100% of emissions as the particle phase, the particle–gas concentration ratio in our model is similar to the equilibrium model, while differences are up to a factor of 10(6) with 100% of emissions as the gas phase. The particle–gas concentration ratios also depend on the particle size distributions and aerosol loadings in the different environmental scenarios. The new mass balance model can predict the particle–gas concentration ratio with more fidelity to measurements than equilibrium models. However, further laboratory-based evaluations and calibrations of the standard sampling techniques, field investigations with preferably size-resolved measurements of aerosol particle composition, together with the appropriate process modeling for low-volatility chemicals are warranted. |
format | Online Article Text |
id | pubmed-8296681 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2020 |
publisher | American
Chemical Society |
record_format | MEDLINE/PubMed |
spelling | pubmed-82966812021-07-22 Steady-State Mass Balance Model for Predicting Particle–Gas Concentration Ratios of PBDEs Zhao, Fangyuan Riipinen, Ilona MacLeod, Matthew Environ Sci Technol [Image: see text] Assuming equilibrium partitioning between the gas and particle phases has been shown to overestimate the fraction of low-volatility chemicals in the particle phase. Here, we present a new steady-state mass balance model that includes separate compartments for fine and coarse aerosols and the gas phase and study its sensitivity to the input parameters. We apply the new model to investigate deviations from equilibrium partitioning by exploring model scenarios for seven generic aerosol scenarios representing different environments and different distributions of emissions as the gas phase, fine aerosol, and coarse aerosol. With 100% of emissions as the particle phase, the particle–gas concentration ratio in our model is similar to the equilibrium model, while differences are up to a factor of 10(6) with 100% of emissions as the gas phase. The particle–gas concentration ratios also depend on the particle size distributions and aerosol loadings in the different environmental scenarios. The new mass balance model can predict the particle–gas concentration ratio with more fidelity to measurements than equilibrium models. However, further laboratory-based evaluations and calibrations of the standard sampling techniques, field investigations with preferably size-resolved measurements of aerosol particle composition, together with the appropriate process modeling for low-volatility chemicals are warranted. American Chemical Society 2020-12-07 2021-07-20 /pmc/articles/PMC8296681/ /pubmed/33283506 http://dx.doi.org/10.1021/acs.est.0c04368 Text en © 2020 American Chemical Society This is an open access article published under a Creative Commons Attribution (CC-BY) License (https://pubs.acs.org/page/policy/authorchoice_ccby_termsofuse.html) , which permits unrestricted use, distribution and reproduction in any medium, provided the author and source are cited. |
spellingShingle | Zhao, Fangyuan Riipinen, Ilona MacLeod, Matthew Steady-State Mass Balance Model for Predicting Particle–Gas Concentration Ratios of PBDEs |
title | Steady-State
Mass Balance Model for Predicting Particle–Gas
Concentration Ratios of PBDEs |
title_full | Steady-State
Mass Balance Model for Predicting Particle–Gas
Concentration Ratios of PBDEs |
title_fullStr | Steady-State
Mass Balance Model for Predicting Particle–Gas
Concentration Ratios of PBDEs |
title_full_unstemmed | Steady-State
Mass Balance Model for Predicting Particle–Gas
Concentration Ratios of PBDEs |
title_short | Steady-State
Mass Balance Model for Predicting Particle–Gas
Concentration Ratios of PBDEs |
title_sort | steady-state
mass balance model for predicting particle–gas
concentration ratios of pbdes |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8296681/ https://www.ncbi.nlm.nih.gov/pubmed/33283506 http://dx.doi.org/10.1021/acs.est.0c04368 |
work_keys_str_mv | AT zhaofangyuan steadystatemassbalancemodelforpredictingparticlegasconcentrationratiosofpbdes AT riipinenilona steadystatemassbalancemodelforpredictingparticlegasconcentrationratiosofpbdes AT macleodmatthew steadystatemassbalancemodelforpredictingparticlegasconcentrationratiosofpbdes |