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@ARTICLE{Meyer:886067,
      author       = {Meyer, Kristian and Leweke, Samuel and von Lieres, Eric and
                      Huusom, Jakob K. and Abildskov, Jens},
      title        = {{C}hroma{T}ech: {A} discontinuous {G}alerkin spectral
                      element simulator for preparative liquid chromatography},
      journal      = {Computers $\&$ chemical engineering},
      volume       = {141},
      issn         = {0098-1354},
      address      = {Amsterdam [u.a.]},
      publisher    = {Elsevier Science},
      reportid     = {FZJ-2020-04254},
      pages        = {107012 -},
      year         = {2020},
      abstract     = {ChromaTech is a simulator for preparative liquid
                      chromatography processes with mass transport described by
                      the pore and surface diffusion general rate model. A
                      discontinuous Galerkin spectral element method is used for
                      spatial discretization with exponential decay of
                      approximation errors within elements. The code is validated
                      by numerically reproducing a high-precision reference
                      obtained with CADET-semi-analytic. The performance of
                      ChromaTech is tested by comparing against CADET, a dedicated
                      code based on a weighted essentially non-oscillatory finite
                      volume method with second (low) order spatial accuracy.
                      Reassuringly, ChromaTech provides exactly the same
                      chromatograms as CADET for multicomponent protein
                      purification cases with linear and non-linear adsorption
                      dynamics. However, the numerical results show, that
                      ChromaTech has superior efficiency in terms of computational
                      cost and discrete problem size without compromising
                      stability. The spatial discretization is the major
                      difference between the two codes for solution of the pore
                      and surface diffusion general rate model. Thus, it
                      demonstrates, that spectral methods are not just competitive
                      with second (low) order accurate methods often used by
                      default, but simply a superior approach for spatial
                      discretization of liquid chromatography flow problems in
                      terms of computational efficiency.},
      cin          = {IBG-1},
      ddc          = {660},
      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:000570247700004},
      doi          = {10.1016/j.compchemeng.2020.107012},
      url          = {https://juser.fz-juelich.de/record/886067},
}