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J Phys Chem A


Title:"Experimental Study of the Formation of Organosulfates from alpha-Pinene Oxidation. Part I: Product Identification, Formation Mechanisms and Effect of Relative Humidity"
Author(s):Duporte G; Flaud PM; Geneste E; Augagneur S; Pangui E; Lamkaddam H; Gratien A; Doussin JF; Budzinski H; Villenave E; Perraudin E;
Address:"Universite de Bordeaux, EPOC, UMR 5805 , F-33405 Talence Cedex, France. CNRS, EPOC, UMR 5805 , F-33405 Talence Cedex, France. Universite Paris-Est-Creteil (UPEC) and Universite Paris Diderot (UPD), LISA, UMR 7583 , F-94010 Creteil, France"
Journal Title:J Phys Chem A
Year:2016
Volume:20160929
Issue:40
Page Number:7909 - 7923
DOI: 10.1021/acs.jpca.6b08504
ISSN/ISBN:1520-5215 (Electronic) 1089-5639 (Linking)
Abstract:"In the present study, quasi-static reactor and atmospheric simulation chamber experiments were performed to investigate the formation of alpha-pinene-derived organosulfates. Organosulfates (R-OSO(3)H) were examined for the reactions between acidified ammonium sulfate particles exposed to an individual gaseous volatile organic compound, such as alpha-pinene and oxidized products (alpha-pinene oxide, isopinocampheol, pinanediol and myrtenal). Molecular structures were elucidated by liquid chromatography interfaced to high-resolution quadrupole time-of-flight mass spectrometry equipped with electrospray ionization (LC/ESI-HR-QTOFMS). New organosulfate products were detected and identified for the first time in the present study. Reaction with alpha-pinene oxide was found to be a favored pathway for organosulfate formation (C(10)H(18)O(5)S) and to yield organosulfate dimers (C(20)H(34)O(6)S and C(20)H(34)O(9)S(2)) and trimers (C(30)H(50)O(10)S(2)) under dry conditions (RH < 1%) and high particle acidity and precursor concentrations (1 ppm). The role of relative humidity on organosulfate formation yields and product distribution was specifically examined. Organosulfate concentrations were found to decrease with increasing relative humidity. Mechanistic pathways for organosulfate formation from the reactions between alpha-pinene, alpha-pinene oxide, isopinocampheol, or pinanediol with acidified ammonium sulfate particles are proposed"
Keywords:
Notes:"PubMed-not-MEDLINEDuporte, G Flaud, P-M Geneste, E Augagneur, S Pangui, E Lamkaddam, H Gratien, A Doussin, J-F Budzinski, H Villenave, E Perraudin, E eng 2016/09/10 J Phys Chem A. 2016 Oct 13; 120(40):7909-7923. doi: 10.1021/acs.jpca.6b08504. Epub 2016 Sep 29"

 
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