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@ARTICLE{Gkatzelis:844858,
      author       = {Gkatzelis, Georgios I. and Tillmann, Ralf and Hohaus,
                      Thorsten and Müller, Markus and Eichler, Philipp and Xu,
                      Kang-Ming and Schlag, Patrick and Schmitt, Sebastian H. and
                      Wegener, Robert and Kaminski, Martin and Holzinger, Rupert
                      and Wisthaler, Armin and Kiendler-Scharr, Astrid},
      title        = {{C}omparison of three aerosol chemical characterization
                      techniques utilizing {PTR}-{T}o{F}-{MS}: a study on freshly
                      formed and aged biogenic {SOA}},
      journal      = {Atmospheric measurement techniques},
      volume       = {11},
      number       = {3},
      issn         = {1867-8548},
      address      = {Katlenburg-Lindau},
      publisher    = {Copernicus},
      reportid     = {FZJ-2018-02209},
      pages        = {1481 - 1500},
      year         = {2018},
      abstract     = {An intercomparison of different aerosol chemical
                      characterization techniques has been performed as part of a
                      chamber study of biogenic secondary organic aerosol (BSOA)
                      formation and aging at the atmosphere simulation chamber
                      SAPHIR (Simulation of Atmospheric PHotochemistry In a large
                      Reaction chamber). Three different aerosol sampling
                      techniques – the aerosol collection module (ACM), the
                      chemical analysis of aerosol online (CHARON) and the
                      collection thermal-desorption unit (TD) were connected to
                      proton transfer reaction time-of-flight mass spectrometers
                      (PTR-ToF-MSs) to provide chemical characterization of the
                      SOA. The techniques were compared among each other and to
                      results from an aerosol mass spectrometer (AMS) and a
                      scanning mobility particle sizer (SMPS). The experiments
                      investigated SOA formation from the ozonolysis of β-pinene,
                      limonene, a β-pinene–limonene mix and real plant
                      emissions from Pinus sylvestris L. (Scots pine). The SOA was
                      subsequently aged by photo-oxidation, except for limonene
                      SOA, which was aged by NO3 oxidation.Despite significant
                      differences in the aerosol collection and desorption methods
                      of the PTR-based techniques, the determined chemical
                      composition, i.e. the same major contributing signals, was
                      found by all instruments for the different chemical systems
                      studied. These signals could be attributed to known products
                      expected from the oxidation of the examined monoterpenes.
                      The sampling and desorption method of ACM and TD provided
                      additional information on the volatility of individual
                      compounds and showed relatively good agreement.Averaged over
                      all experiments, the total aerosol mass recovery compared to
                      an SMPS varied within 80 ± 10, 51 ± 5 and
                      $27 ± 3 \%$ for CHARON, ACM and TD, respectively.
                      Comparison to the oxygen-to-carbon ratios (O : C)
                      obtained by AMS showed that all PTR-based techniques
                      observed lower O : C ratios, indicating a loss of
                      molecular oxygen either during aerosol sampling or
                      detection. The differences in total mass recovery and
                      O : C between the three instruments resulted
                      predominantly from differences in the field strength (E∕N)
                      in the drift tube reaction ionization chambers of the
                      PTR-ToF-MS instruments and from dissimilarities in the
                      collection/desorption of aerosols. Laboratory case studies
                      showed that PTR-ToF-MS E∕N conditions influenced
                      fragmentation which resulted in water and further neutral
                      fragment losses of the detected molecules. Since ACM and TD
                      were operated in higher E∕N than CHARON, this resulted in
                      higher fragmentation, thus affecting primarily the detected
                      oxygen and carbon content and therefore also the mass
                      recovery. Overall, these techniques have been shown to
                      provide valuable insight on the chemical characteristics of
                      BSOA and can address unknown thermodynamic properties such
                      as partitioning coefficient values and volatility patterns
                      down to a compound-specific level.},
      cin          = {IEK-8},
      ddc          = {550},
      cid          = {I:(DE-Juel1)IEK-8-20101013},
      pnm          = {243 - Tropospheric trace substances and their
                      transformation processes (POF3-243)},
      pid          = {G:(DE-HGF)POF3-243},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:000427534700001},
      doi          = {10.5194/amt-11-1481-2018},
      url          = {https://juser.fz-juelich.de/record/844858},
}