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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...

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Autores principales: Zhao, Fangyuan, Riipinen, Ilona, MacLeod, Matthew
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2020
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.
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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
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