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Secondary organic aerosol 2. Thermodynamic model for gas/particle partitioning of molecular constituents
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| Zeitschriftentitel: | Journal of Geophysical Research: Atmospheres |
|---|---|
| Personen und Körperschaften: | , , , |
| In: | Journal of Geophysical Research: Atmospheres, 107, 2002, D17 |
| Format: | E-Article |
| Sprache: | Englisch |
| veröffentlicht: |
American Geophysical Union (AGU)
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| Schlagwörter: |
| author_facet |
Pun, Betty K. Griffin, Robert J. Seigneur, Christian Seinfeld, John H. Pun, Betty K. Griffin, Robert J. Seigneur, Christian Seinfeld, John H. |
|---|---|
| author |
Pun, Betty K. Griffin, Robert J. Seigneur, Christian Seinfeld, John H. |
| spellingShingle |
Pun, Betty K. Griffin, Robert J. Seigneur, Christian Seinfeld, John H. Journal of Geophysical Research: Atmospheres Secondary organic aerosol 2. Thermodynamic model for gas/particle partitioning of molecular constituents Paleontology Space and Planetary Science Earth and Planetary Sciences (miscellaneous) Atmospheric Science Earth-Surface Processes Geochemistry and Petrology Soil Science Water Science and Technology Ecology Aquatic Science Forestry Oceanography Geophysics |
| author_sort |
pun, betty k. |
| spelling |
Pun, Betty K. Griffin, Robert J. Seigneur, Christian Seinfeld, John H. 0148-0227 American Geophysical Union (AGU) Paleontology Space and Planetary Science Earth and Planetary Sciences (miscellaneous) Atmospheric Science Earth-Surface Processes Geochemistry and Petrology Soil Science Water Science and Technology Ecology Aquatic Science Forestry Oceanography Geophysics http://dx.doi.org/10.1029/2001jd000542 <jats:p>A model that predicts secondary organic aerosol (SOA) formation based on the thermodynamic equilibrium partitioning of secondary organic oxidation products has been developed for implementation into atmospheric models. Hydrophobic secondary products are assumed to partition to an absorbing organic aerosol consisting of primary organic aerosol (POA) and other secondary hydrophobic organics according to an equilibrium partitioning coefficient calculated iteratively for each secondary compound present. The hydrophobic module is evaluated by studying the partitioning of octadecanoic acid to surrogate POA species. As expected, the amount of octadecanoic acid predicted to be present in the aerosol phase increases as the total amount of absorbing material increases or as the total amount of acid present increases. Hydrophilic secondary compounds partition to an aqueous phase via Henry's law; the fraction of each compound's mass that partitions is determined by its Henry's law constant and its acid dissociation constant(s). The available liquid water content (LWC) of the aerosol is determined iteratively between an inorganic aerosol module and the hydrophilic module, which is evaluated by studying the partitioning of glyoxalic and malic acids. While glyoxalic acid tends to remain in the gas phase, malic acid partitions strongly to the aqueous phase, with ions being the dominant form in the aqueous phase. As expected, an increase in relative humidity increases the amount of water associated with the organics (ΔLWC), and a lower aerosol pH favors molecular solutes over ionized forms. Increasing pH results in higher effective Henry's law constants for the acids, yielding higher organic aerosol concentrations. Results also indicate that increasing ΔLWC induces additional partitioning of inorganics to the aqueous phase.</jats:p> Secondary organic aerosol 2. Thermodynamic model for gas/particle partitioning of molecular constituents Journal of Geophysical Research: Atmospheres |
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10.1029/2001jd000542 |
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Online Free |
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Allgemeine Naturwissenschaft Physik Technik Geologie und Paläontologie Geographie Chemie und Pharmazie Land- und Forstwirtschaft, Gartenbau, Fischereiwirtschaft, Hauswirtschaft Biologie |
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| title |
Secondary organic aerosol 2. Thermodynamic model for gas/particle partitioning of molecular constituents |
| title_unstemmed |
Secondary organic aerosol 2. Thermodynamic model for gas/particle partitioning of molecular constituents |
| title_full |
Secondary organic aerosol 2. Thermodynamic model for gas/particle partitioning of molecular constituents |
| title_fullStr |
Secondary organic aerosol 2. Thermodynamic model for gas/particle partitioning of molecular constituents |
| title_full_unstemmed |
Secondary organic aerosol 2. Thermodynamic model for gas/particle partitioning of molecular constituents |
| title_short |
Secondary organic aerosol 2. Thermodynamic model for gas/particle partitioning of molecular constituents |
| title_sort |
secondary organic aerosol 2. thermodynamic model for gas/particle partitioning of molecular constituents |
| topic |
Paleontology Space and Planetary Science Earth and Planetary Sciences (miscellaneous) Atmospheric Science Earth-Surface Processes Geochemistry and Petrology Soil Science Water Science and Technology Ecology Aquatic Science Forestry Oceanography Geophysics |
| url |
http://dx.doi.org/10.1029/2001jd000542 |
| publishDate |
2002 |
| physical |
|
| description |
<jats:p>A model that predicts secondary organic aerosol (SOA) formation based on the thermodynamic equilibrium partitioning of secondary organic oxidation products has been developed for implementation into atmospheric models. Hydrophobic secondary products are assumed to partition to an absorbing organic aerosol consisting of primary organic aerosol (POA) and other secondary hydrophobic organics according to an equilibrium partitioning coefficient calculated iteratively for each secondary compound present. The hydrophobic module is evaluated by studying the partitioning of octadecanoic acid to surrogate POA species. As expected, the amount of octadecanoic acid predicted to be present in the aerosol phase increases as the total amount of absorbing material increases or as the total amount of acid present increases. Hydrophilic secondary compounds partition to an aqueous phase via Henry's law; the fraction of each compound's mass that partitions is determined by its Henry's law constant and its acid dissociation constant(s). The available liquid water content (LWC) of the aerosol is determined iteratively between an inorganic aerosol module and the hydrophilic module, which is evaluated by studying the partitioning of glyoxalic and malic acids. While glyoxalic acid tends to remain in the gas phase, malic acid partitions strongly to the aqueous phase, with ions being the dominant form in the aqueous phase. As expected, an increase in relative humidity increases the amount of water associated with the organics (ΔLWC), and a lower aerosol pH favors molecular solutes over ionized forms. Increasing pH results in higher effective Henry's law constants for the acids, yielding higher organic aerosol concentrations. Results also indicate that increasing ΔLWC induces additional partitioning of inorganics to the aqueous phase.</jats:p> |
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| author | Pun, Betty K., Griffin, Robert J., Seigneur, Christian, Seinfeld, John H. |
| author_facet | Pun, Betty K., Griffin, Robert J., Seigneur, Christian, Seinfeld, John H., Pun, Betty K., Griffin, Robert J., Seigneur, Christian, Seinfeld, John H. |
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| description | <jats:p>A model that predicts secondary organic aerosol (SOA) formation based on the thermodynamic equilibrium partitioning of secondary organic oxidation products has been developed for implementation into atmospheric models. Hydrophobic secondary products are assumed to partition to an absorbing organic aerosol consisting of primary organic aerosol (POA) and other secondary hydrophobic organics according to an equilibrium partitioning coefficient calculated iteratively for each secondary compound present. The hydrophobic module is evaluated by studying the partitioning of octadecanoic acid to surrogate POA species. As expected, the amount of octadecanoic acid predicted to be present in the aerosol phase increases as the total amount of absorbing material increases or as the total amount of acid present increases. Hydrophilic secondary compounds partition to an aqueous phase via Henry's law; the fraction of each compound's mass that partitions is determined by its Henry's law constant and its acid dissociation constant(s). The available liquid water content (LWC) of the aerosol is determined iteratively between an inorganic aerosol module and the hydrophilic module, which is evaluated by studying the partitioning of glyoxalic and malic acids. While glyoxalic acid tends to remain in the gas phase, malic acid partitions strongly to the aqueous phase, with ions being the dominant form in the aqueous phase. As expected, an increase in relative humidity increases the amount of water associated with the organics (ΔLWC), and a lower aerosol pH favors molecular solutes over ionized forms. Increasing pH results in higher effective Henry's law constants for the acids, yielding higher organic aerosol concentrations. Results also indicate that increasing ΔLWC induces additional partitioning of inorganics to the aqueous phase.</jats:p> |
| doi_str_mv | 10.1029/2001jd000542 |
| facet_avail | Online, Free |
| finc_class_facet | Allgemeine Naturwissenschaft, Physik, Technik, Geologie und Paläontologie, Geographie, Chemie und Pharmazie, Land- und Forstwirtschaft, Gartenbau, Fischereiwirtschaft, Hauswirtschaft, Biologie |
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| id | ai-49-aHR0cDovL2R4LmRvaS5vcmcvMTAuMTAyOS8yMDAxamQwMDA1NDI |
| imprint | American Geophysical Union (AGU), 2002 |
| imprint_str_mv | American Geophysical Union (AGU), 2002 |
| institution | DE-D275, DE-Bn3, DE-Brt1, DE-Zwi2, DE-D161, DE-Gla1, DE-Zi4, DE-15, DE-Pl11, DE-Rs1, DE-105, DE-14, DE-Ch1, DE-L229 |
| issn | 0148-0227 |
| issn_str_mv | 0148-0227 |
| language | English |
| last_indexed | 2024-03-01T15:12:52.284Z |
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| mega_collection | American Geophysical Union (AGU) (CrossRef) |
| physical | |
| publishDate | 2002 |
| publishDateSort | 2002 |
| publisher | American Geophysical Union (AGU) |
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| series | Journal of Geophysical Research: Atmospheres |
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| spelling | Pun, Betty K. Griffin, Robert J. Seigneur, Christian Seinfeld, John H. 0148-0227 American Geophysical Union (AGU) Paleontology Space and Planetary Science Earth and Planetary Sciences (miscellaneous) Atmospheric Science Earth-Surface Processes Geochemistry and Petrology Soil Science Water Science and Technology Ecology Aquatic Science Forestry Oceanography Geophysics http://dx.doi.org/10.1029/2001jd000542 <jats:p>A model that predicts secondary organic aerosol (SOA) formation based on the thermodynamic equilibrium partitioning of secondary organic oxidation products has been developed for implementation into atmospheric models. Hydrophobic secondary products are assumed to partition to an absorbing organic aerosol consisting of primary organic aerosol (POA) and other secondary hydrophobic organics according to an equilibrium partitioning coefficient calculated iteratively for each secondary compound present. The hydrophobic module is evaluated by studying the partitioning of octadecanoic acid to surrogate POA species. As expected, the amount of octadecanoic acid predicted to be present in the aerosol phase increases as the total amount of absorbing material increases or as the total amount of acid present increases. Hydrophilic secondary compounds partition to an aqueous phase via Henry's law; the fraction of each compound's mass that partitions is determined by its Henry's law constant and its acid dissociation constant(s). The available liquid water content (LWC) of the aerosol is determined iteratively between an inorganic aerosol module and the hydrophilic module, which is evaluated by studying the partitioning of glyoxalic and malic acids. While glyoxalic acid tends to remain in the gas phase, malic acid partitions strongly to the aqueous phase, with ions being the dominant form in the aqueous phase. As expected, an increase in relative humidity increases the amount of water associated with the organics (ΔLWC), and a lower aerosol pH favors molecular solutes over ionized forms. Increasing pH results in higher effective Henry's law constants for the acids, yielding higher organic aerosol concentrations. Results also indicate that increasing ΔLWC induces additional partitioning of inorganics to the aqueous phase.</jats:p> Secondary organic aerosol 2. Thermodynamic model for gas/particle partitioning of molecular constituents Journal of Geophysical Research: Atmospheres |
| spellingShingle | Pun, Betty K., Griffin, Robert J., Seigneur, Christian, Seinfeld, John H., Journal of Geophysical Research: Atmospheres, Secondary organic aerosol 2. Thermodynamic model for gas/particle partitioning of molecular constituents, Paleontology, Space and Planetary Science, Earth and Planetary Sciences (miscellaneous), Atmospheric Science, Earth-Surface Processes, Geochemistry and Petrology, Soil Science, Water Science and Technology, Ecology, Aquatic Science, Forestry, Oceanography, Geophysics |
| title | Secondary organic aerosol 2. Thermodynamic model for gas/particle partitioning of molecular constituents |
| title_full | Secondary organic aerosol 2. Thermodynamic model for gas/particle partitioning of molecular constituents |
| title_fullStr | Secondary organic aerosol 2. Thermodynamic model for gas/particle partitioning of molecular constituents |
| title_full_unstemmed | Secondary organic aerosol 2. Thermodynamic model for gas/particle partitioning of molecular constituents |
| title_short | Secondary organic aerosol 2. Thermodynamic model for gas/particle partitioning of molecular constituents |
| title_sort | secondary organic aerosol 2. thermodynamic model for gas/particle partitioning of molecular constituents |
| title_unstemmed | Secondary organic aerosol 2. Thermodynamic model for gas/particle partitioning of molecular constituents |
| topic | Paleontology, Space and Planetary Science, Earth and Planetary Sciences (miscellaneous), Atmospheric Science, Earth-Surface Processes, Geochemistry and Petrology, Soil Science, Water Science and Technology, Ecology, Aquatic Science, Forestry, Oceanography, Geophysics |
| url | http://dx.doi.org/10.1029/2001jd000542 |