Publication: Determining Activity Coefficients of SOA from Isothermal Evaporation in a Laboratory Chamber
Publication - Determining Activity Coefficients of SOA from Isothermal Evaporation in a Laboratory Chamber
Title:
Determining Activity Coefficients of SOA from Isothermal Evaporation in a Laboratory Chamber
DOI:
10.1021/acs.estlett.0c00888
Publication Year:
2021
Author list:
Xiaoxi Liu, Douglas A. Day, Jordan E. Krechmer, Paul J. Ziemann, and Jose L. Jimenez
Journal Short Name:
Environ. Sci. Technol. Lett.
Publisher:
ACS Publications
Abstract
Nonideal molecular interactions in aerosol particles influence the partitioning of semivolatile organic compounds (SVOCs). However, few direct measurements exist that determine activity coefficients (γ), which quantify nonideality, for individual organic compounds in different atmospheric mixtures. By measuring the isothermal evaporation of SOA formed from multifunctional SVOCs in an environmental chamber, this study determines the mole-fraction-based γ of the bulk SOA in a variety of pre-existing chemically complex particles, approximated as if the bulk SOA behaved like a single SVOC. These multicomponent mixtures contain molecular structures commonly found in the atmosphere. When treated as a single liquid phase, γ of the bulk SOA tends to increase from ∼1 to ∼5 as the organic seeds and the SOA have more differing polarities. A high computed γ value of 74 for a wet ammonium sulfate-SOA system indicates phase separation. The γ for some individual species was also quantified based on gas-phase measurements and AIOMFAC model predictions. However, the bulk SOA γ cannot be explained by the simplified speciated SVOC–seed interactions, suggesting incomplete compositional understanding of the bulk SOA. These results demonstrate a method to quantify nonideal behavior and show that it can occur in multicomponent mixtures and therefore influence OA formation, evolution, and lifetimes.Additional Notes
Experiments (21)
| ID | Name | Start date | Experiment Category | Reaction Type | Reactant(s) | Oxidant Name | Temperature | Humidity | Type of Seed | RO2 Main Fate | Data Sets (count) | Actions |
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 269 | Jimenez Lab_20180504_1-Hexanol/1-octanol/1-Nonanol/1-DECANOL/Methyl nitrite/nitric oxide/1-DODECANOL_Hydroxyl radical_Sucrose_21.6_ug/m3_clone_Su3 | 2018-05-04 | Volatility and partitioning | Photooxidation | 1-Hexanol, 1-octanol, 1-Nonanol, 1-DECANOL, Methyl nitrite, nitric oxide, 1-DODECANOL | Hydroxyl radical | 25 | <1 | Sucrose | NO | 3 | Download |
| 237 | Jimenez Lab_20170330_1-Hexanol/1-octanol/1-Nonanol/1-DECANOL/Methyl nitrite/nitric oxide/1-DODECANOL_Hydroxyl radical_Ammonium sulfate_30.2_ug/m3_AS6 | 2017-03-30 | Volatility and partitioning | Photooxidation | 1-Hexanol, 1-octanol, 1-Nonanol, 1-DECANOL, Methyl nitrite, nitric oxide, 1-DODECANOL | Hydroxyl radical | 25 | 45 | Ammonium sulfate | NO | 3 | Download |
| 243 | Jimenez Lab_20160726_1-Hexanol/1-octanol/1-Nonanol/1-DECANOL/Methyl nitrite/nitric oxide_Hydroxyl radical_Ammonium sulfate_44.3_ug/m3_AS1 | 2016-07-26 | Volatility and partitioning | Photooxidation | 1-Hexanol, 1-octanol, 1-Nonanol, 1-DECANOL, Methyl nitrite, nitric oxide | Hydroxyl radical | 25 | <1 | Ammonium sulfate | NO | 4 | Download |
| 244 | Jimenez Lab_20160816_1-Hexanol/1-octanol/1-Nonanol/1-DECANOL/Methyl nitrite/nitric oxide/1-DODECANOL_Hydroxyl radical_Ammonium sulfate_6.20_ug/m3_AS2 | 2016-08-16 | Volatility and partitioning | Photooxidation | 1-Hexanol, 1-octanol, 1-Nonanol, 1-DECANOL, Methyl nitrite, nitric oxide, 1-DODECANOL | Hydroxyl radical | 25 | <1 | Ammonium sulfate | NO | 3 | Download |
| 245 | Jimenez Lab_20160816_1-octanol/1-DECANOL/Methyl nitrite/nitric oxide/1-DODECANOL_Hydroxyl radical_Ammonium sulfate_18.6_ug/m3_AS3 | 2016-08-16 | Volatility and partitioning | Photooxidation | 1-octanol, 1-DECANOL, Methyl nitrite, nitric oxide, 1-DODECANOL | Hydroxyl radical | 25 | <1 | Ammonium sulfate | NO | 5 | Download |
| 246 | Jimenez Lab_20180328_1-Hexanol/1-octanol/1-Nonanol/1-DECANOL/Methyl nitrite/nitric oxide/1-DODECANOL_Hydroxyl radical_Ammonium sulfate_9.4_ug/m3_AS4 | 2018-03-28 | Volatility and partitioning | Photooxidation | 1-Hexanol, 1-octanol, 1-Nonanol, 1-DECANOL, Methyl nitrite, nitric oxide, 1-DODECANOL | Hydroxyl radical | 25 | <1 | Ammonium sulfate | NO | 3 | Download |
| 247 | Jimenez Lab_20170329_1-Hexanol/1-octanol/1-Nonanol/1-DECANOL/Methyl nitrite/nitric oxide/1-DODECANOL_Hydroxyl radical_Ammonium sulfate_12.5_ug/m3_AS5 | 2017-03-29 | Volatility and partitioning | Photooxidation | 1-Hexanol, 1-octanol, 1-Nonanol, 1-DECANOL, Methyl nitrite, nitric oxide, 1-DODECANOL | Hydroxyl radical | 25 | 46 | Ammonium sulfate | NO | 3 | Download |
| 248 | Jimenez Lab_20180725_1-Hexanol/1-octanol/1-Nonanol/1-DECANOL/Methyl nitrite/nitric oxide/1-DODECANOL_Hydroxyl radical_Ammonium sulfate_14.1_ug/m3_AS7 | 2018-07-25 | Volatility and partitioning | Photooxidation | 1-Hexanol, 1-octanol, 1-Nonanol, 1-DECANOL, Methyl nitrite, nitric oxide, 1-DODECANOL | Hydroxyl radical | 25 | 46 | Ammonium sulfate | NO | 5 | Download |
| 249 | Jimenez Lab_20170316_1-Hexanol/1-octanol/1-Nonanol/1-DECANOL/Methyl nitrite/nitric oxide/1-DODECANOL_Hydroxyl radical_alpha pinene_107.4_ug/m3_aP1 | 2017-03-16 | Volatility and partitioning | Photooxidation | 1-Hexanol, 1-octanol, 1-Nonanol, 1-DECANOL, Methyl nitrite, nitric oxide, 1-DODECANOL | Hydroxyl radical | 25 | <1 | alpha pinene | NO | 3 | Download |
| 250 | Jimenez Lab_20171106_1-Hexanol/1-octanol/1-Nonanol/1-DECANOL/Methyl nitrite/nitric oxide/1-DODECANOL_Hydroxyl radical_alpha pinene_15.0_ug/m3_aP2 | 2017-11-06 | Volatility and partitioning | Photooxidation | 1-Hexanol, 1-octanol, 1-Nonanol, 1-DECANOL, Methyl nitrite, nitric oxide, 1-DODECANOL | Hydroxyl radical | 25 | <1 | alpha pinene | NO | 5 | Download |
| 251 | Jimenez Lab_20180313_1-DECANOL/Methyl nitrite/nitric oxide_Hydroxyl radical_DOS_415.6_ug/m3_DOS1 | 2018-03-13 | Volatility and partitioning | Photooxidation | 1-DECANOL, Methyl nitrite, nitric oxide | Hydroxyl radical | 25 | <1 | DOS | NO | 3 | Download |
| 252 | Jimenez Lab_20170125_1-Hexanol/1-octanol/1-Nonanol/1-DECANOL/Methyl nitrite/nitric oxide/1-DODECANOL_Hydroxyl radical_Oleic Acid_15.6_ug/m3_OA1 | 2017-01-25 | Volatility and partitioning | Photooxidation | 1-Hexanol, 1-octanol, 1-Nonanol, 1-DECANOL, Methyl nitrite, nitric oxide, 1-DODECANOL | Hydroxyl radical | 25 | <1 | Oleic Acid | NO | 3 | Download |
| 260 | Jimenez Lab_20170126_1-Hexanol/1-octanol/1-Nonanol/1-DECANOL/Methyl nitrite/nitric oxide/1-DODECANOL_Hydroxyl radical_Oleic Acid_2.9_ug/m3_OA2 | 2017-01-26 | Volatility and partitioning | Photooxidation | 1-Hexanol, 1-octanol, 1-Nonanol, 1-DECANOL, Methyl nitrite, nitric oxide, 1-DODECANOL | Hydroxyl radical | 25 | <1 | Oleic Acid | NO | 3 | Download |
| 261 | Jimenez Lab_20170127_1-Hexanol/1-octanol/1-Nonanol/1-DECANOL/Methyl nitrite/nitric oxide/1-DODECANOL_Hydroxyl radical_Oleic Acid_1.75_ug/m3_OA3 | 2017-01-27 | Volatility and partitioning | Photooxidation | 1-Hexanol, 1-octanol, 1-Nonanol, 1-DECANOL, Methyl nitrite, nitric oxide, 1-DODECANOL | Hydroxyl radical | 25 | <1 | Oleic Acid | NO | 3 | Download |
| 262 | Jimenez Lab_20171010_1-Hexanol/1-octanol/1-Nonanol/1-DECANOL/Methyl nitrite/nitric oxide/1-DODECANOL_Hydroxyl radical_Pentaethylene Glycol_4.0_ug/m3_PEG1 | 2017-10-10 | Volatility and partitioning | Photooxidation | 1-Hexanol, 1-octanol, 1-Nonanol, 1-DECANOL, Methyl nitrite, nitric oxide, 1-DODECANOL | Hydroxyl radical | 25 | <1 | Pentaethylene Glycol | NO | 5 | Download |
| 263 | Jimenez Lab_20171018_1-Hexanol/1-octanol/1-Nonanol/1-DECANOL/Methyl nitrite/nitric oxide/1-DODECANOL_Hydroxyl radical_Pentaethylene Glycol_7.85_ug/m3_PEG2 | 2017-10-18 | Volatility and partitioning | Photooxidation | 1-Hexanol, 1-octanol, 1-Nonanol, 1-DECANOL, Methyl nitrite, nitric oxide, 1-DODECANOL | Hydroxyl radical | 25 | <1 | Pentaethylene Glycol | NO | 7 | Download |
| 264 | Jimenez Lab_20180307_1-Hexanol/1-octanol/1-Nonanol/1-DECANOL/Methyl nitrite/nitric oxide/1-DODECANOL_Hydroxyl radical_Pentaethylene Glycol_4.5_ug/m3_PEG3 | 2018-03-07 | Volatility and partitioning | Photooxidation | 1-Hexanol, 1-octanol, 1-Nonanol, 1-DECANOL, Methyl nitrite, nitric oxide, 1-DODECANOL | Hydroxyl radical | 25 | <1 | Pentaethylene Glycol | NO | 4 | Download |
| 265 | Jimenez Lab_20170331_1-Hexanol/1-octanol/1-Nonanol/1-DECANOL/Methyl nitrite/nitric oxide/1-DODECANOL_Hydroxyl radical_Squalane_26.6_ug/m3_Sq1 | 2017-03-31 | Volatility and partitioning | Photooxidation | 1-Hexanol, 1-octanol, 1-Nonanol, 1-DECANOL, Methyl nitrite, nitric oxide, 1-DODECANOL | Hydroxyl radical | 25 | <1 | Squalane | NO | 3 | Download |
| 266 | Jimenez Lab_20171103_1-Hexanol/1-octanol/1-Nonanol/1-DECANOL/Methyl nitrite/nitric oxide/1-DODECANOL_Hydroxyl radical_Squalane_10.8_ug/m3_Sq2 | 2017-11-03 | Volatility and partitioning | Photooxidation | 1-Hexanol, 1-octanol, 1-Nonanol, 1-DECANOL, Methyl nitrite, nitric oxide, 1-DODECANOL | Hydroxyl radical | 25 | <1 | Squalane | NO | 5 | Download |
| 267 | Jimenez Lab_20170320_1-Hexanol/1-octanol/1-Nonanol/1-DECANOL/Methyl nitrite/nitric oxide/1-DODECANOL_Hydroxyl radical_Sucrose_32.1_ug/m3_Su1 | 2017-03-20 | Volatility and partitioning | Photooxidation | 1-Hexanol, 1-octanol, 1-Nonanol, 1-DECANOL, Methyl nitrite, nitric oxide, 1-DODECANOL | Hydroxyl radical | 25 | <1 | Sucrose | NO | 3 | Download |
| 268 | Jimenez Lab_20170321_1-Hexanol/1-octanol/1-Nonanol/1-DECANOL/Methyl nitrite/nitric oxide/1-DODECANOL_Hydroxyl radical_Sucrose_10.4_ug/m3_Su2 | 2017-03-21 | Volatility and partitioning | Photooxidation | 1-Hexanol, 1-octanol, 1-Nonanol, 1-DECANOL, Methyl nitrite, nitric oxide, 1-DODECANOL | Hydroxyl radical | 25 | <1 | Sucrose | NO | 3 | Download |