Glass Transition Temperatures of Organic Mixtures from Isoprene Epoxydiol-Derived Secondary Organic Aerosol.

Autor:	Chen B; Department of Atmospheric Sciences, Texas A&M University, Eller O&M Building, 1204, 3150 TAMU, 797 Lamar Street, College Station, Texas 77843, United States., Mirrielees JA; Department of Chemistry, University of Michigan, 930 N University Avenue, Ann Arbor, Michigan 48104, United States., Chen Y; Gillings School of Global Public Health, Department of Environmental Sciences and Engineering, University of North Carolina at Chapel Hill, 170 Rosenau Hall, Campus Box #7400, 135 Dauer Drive, Chapel Hill, North Carolina 27599, United States., Onasch TB; Aerodyne Research, Inc, 45 Manning Road, Billerica, Massachusetts 01821, United States., Zhang Z; Gillings School of Global Public Health, Department of Environmental Sciences and Engineering, University of North Carolina at Chapel Hill, 170 Rosenau Hall, Campus Box #7400, 135 Dauer Drive, Chapel Hill, North Carolina 27599, United States., Gold A; Gillings School of Global Public Health, Department of Environmental Sciences and Engineering, University of North Carolina at Chapel Hill, 170 Rosenau Hall, Campus Box #7400, 135 Dauer Drive, Chapel Hill, North Carolina 27599, United States., Surratt JD; Gillings School of Global Public Health, Department of Environmental Sciences and Engineering, University of North Carolina at Chapel Hill, 170 Rosenau Hall, Campus Box #7400, 135 Dauer Drive, Chapel Hill, North Carolina 27599, United States.; College of Arts and Sciences, Department of Chemistry, University of North Carolina at Chapel Hill, Campus Box #3290, 125 South Road, Chapel Hill, North Carolina 27599, United States., Zhang Y; Department of Atmospheric Sciences, Texas A&M University, Eller O&M Building, 1204, 3150 TAMU, 797 Lamar Street, College Station, Texas 77843, United States., Brooks SD; Department of Atmospheric Sciences, Texas A&M University, Eller O&M Building, 1204, 3150 TAMU, 797 Lamar Street, College Station, Texas 77843, United States.
Jazyk:	angličtina
Zdroj:	The journal of physical chemistry. A [J Phys Chem A] 2023 May 11; Vol. 127 (18), pp. 4125-4136. Date of Electronic Publication: 2023 May 02.
DOI:	10.1021/acs.jpca.2c08936
Abstrakt:	The phase states and glass transition temperatures ( T g ) of secondary organic aerosol (SOA) particles are important to resolve for understanding the formation, growth, and fate of SOA as well as their cloud formation properties. Currently, there is a limited understanding of how T g changes with the composition of organic and inorganic components of atmospheric aerosol. Using broadband dielectric spectroscopy, we measured the T g of organic mixtures containing isoprene epoxydiol (IEPOX)-derived SOA components, including 2-methyltetrols (2-MT), 2-methyltetrol-sulfate (2-MTS), and 3-methyltetrol-sulfate (3-MTS). The results demonstrate that the T g of mixtures depends on their composition. The Kwei equation, a modified Gordon-Taylor equation with an added quadratic term and a fitting parameter representing strong intermolecular interactions, provides a good fit for the T g -composition relationship of complex mixtures. By combining Raman spectroscopy with geometry optimization simulations obtained using density functional theory, we demonstrate that the non-linear deviation of T g as a function of composition may be caused by changes in the extent of hydrogen bonding in the mixture.
Databáze:	MEDLINE
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