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@ARTICLE{Beck:886066,
      author       = {Beck, Jürgen and Heymann, William and von Lieres, Eric and
                      Hahn, Rainer},
      title        = {{C}ompartment {M}odel of {M}ixing in a {B}ubble {T}rap and
                      {I}ts {I}mpact on {C}hromatographic {S}eparations},
      journal      = {Processes},
      volume       = {8},
      number       = {7},
      issn         = {2227-9717},
      address      = {Basel},
      publisher    = {MDPI},
      reportid     = {FZJ-2020-04253},
      pages        = {780 -},
      year         = {2020},
      abstract     = {Chromatography equipment includes hold-up volumes that are
                      external to the packed bed and usually not considered in the
                      development of chromatography models. These volumes can
                      substantially contribute to band-broadening in the system
                      and deteriorate the predicted performance. We selected a
                      bubble trap of a pilot scale chromatography system as an
                      example for a hold-up volume with a non-standard mixing
                      behavior. In a worst-case scenario, the bubble trap is not
                      properly flushed before elution, thus causing the
                      significant band-broadening of the elution peak. We showed
                      that the mixing of buffers with different densities in the
                      bubble trap device can be accurately modeled using a simple
                      compartment model. The model was calibrated at a wide range
                      of flow rates and salt concentrations. The simulations were
                      performed using the open-source software CADET, and all
                      scripts and data are published with this manuscript. The
                      results illustrate the importance of including external
                      holdup volumes in chromatography modeling. The
                      band-broadening effect of tubing, pumps, valves, detectors,
                      frits, or any other zones with non-standard mixing behavior
                      can be considered in very similar way},
      cin          = {IBG-1},
      ddc          = {570},
      cid          = {I:(DE-Juel1)IBG-1-20101118},
      pnm          = {583 - Innovative Synergisms (POF3-583)},
      pid          = {G:(DE-HGF)POF3-583},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:000557505800001},
      doi          = {10.3390/pr8070780},
      url          = {https://juser.fz-juelich.de/record/886066},
}