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@ARTICLE{Holzinger:868174,
      author       = {Holzinger, Rupert and Acton, W. Joe F. and Bloss, William
                      J. and Breitenlechner, Martin and Crilley, Leigh R. and
                      Dusanter, Sébastien and Gonin, Marc and Gros, Valerie and
                      Keutsch, Frank N. and Kiendler-Scharr, Astrid and Kramer,
                      Louisa J. and Krechmer, Jordan E. and Languille, Baptiste
                      and Locoge, Nadine and Lopez-Hilfiker, Felipe and Materić,
                      Dušan and Moreno, Sergi and Nemitz, Eiko and Quéléver,
                      Lauriane L. J. and Sarda Esteve, Roland and Sauvage,
                      Stéphane and Schallhart, Simon and Sommariva, Roberto and
                      Tillmann, Ralf and Wedel, Sergej and Worton, David R. and
                      Xu, Kangming and Zaytsev, Alexander},
      title        = {{V}alidity and limitations of simple reaction kinetics to
                      calculate concentrations of organic compounds from ion
                      counts in {PTR}-{MS}},
      journal      = {Atmospheric measurement techniques},
      volume       = {12},
      number       = {11},
      issn         = {1867-8548},
      address      = {Katlenburg-Lindau},
      publisher    = {Copernicus},
      reportid     = {FZJ-2019-06746},
      pages        = {6193 - 6208},
      year         = {2019},
      abstract     = {In September 2017, we conducted a proton-transfer-reaction
                      mass-spectrometry (PTR-MS) intercomparison campaign at the
                      CESAR observatory, a rural site in the central Netherlands
                      near the village of Cabauw. Nine research groups deployed a
                      total of 11 instruments covering a wide range of instrument
                      types and performance. We applied a new calibration method
                      based on fast injection of a gas standard through a sample
                      loop. This approach allows calibrations on timescales of
                      seconds, and within a few minutes an automated sequence can
                      be run allowing one to retrieve diagnostic parameters that
                      indicate the performance status. We developed a method to
                      retrieve the mass-dependent transmission from the fast
                      calibrations, which is an essential characteristic of PTR-MS
                      instruments, limiting the potential to calculate
                      concentrations based on counting statistics and simple
                      reaction kinetics in the reactor/drift tube. Our
                      measurements show that PTR-MS instruments follow the simple
                      reaction kinetics if operated in the standard range for
                      pressures and temperature of the reaction chamber (i.e.
                      1–4 mbar, 30–120∘, respectively), as well as a
                      reduced field strength E∕N in the range of 100–160 Td.
                      If artefacts can be ruled out, it becomes possible to
                      quantify the signals of uncalibrated organics with
                      accuracies better than $±30 \%.$ The simple reaction
                      kinetics approach produces less accurate results at E∕N
                      levels below 100 Td, because significant fractions of
                      primary ions form water hydronium clusters. Deprotonation
                      through reactive collisions of protonated organics with
                      water molecules needs to be considered when the collision
                      energy is a substantial fraction of the exoergicity of the
                      proton transfer reaction and/or if protonated organics
                      undergo many collisions with water molecules.},
      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:000499728300001},
      doi          = {10.5194/amt-12-6193-2019},
      url          = {https://juser.fz-juelich.de/record/868174},
}