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@ARTICLE{Bre:877448,
      author       = {Brée, Luisa C. and Wessling, Matthias and Mitsos,
                      Alexander},
      title        = {{M}odular modeling of electrochemical reactors:
                      {C}omparison of {CO}2-electolyzers},
      journal      = {Computers $\&$ chemical engineering},
      volume       = {139},
      issn         = {0098-1354},
      address      = {Amsterdam [u.a.]},
      publisher    = {Elsevier Science},
      reportid     = {FZJ-2020-02201},
      pages        = {106890 -},
      year         = {2020},
      abstract     = {For economic electrochemical production at industrial
                      scale, high current densities are desired. Conversely,
                      economic electricity utilization requires minimal
                      overpotentials. Ultimately, product yield and composition
                      most likely depend on both overpotential and current
                      density. Modeling and simulation enable the detailed
                      examination. Therefore, we develop modular mechanistic
                      dynamic models for parts of the electrochemical membrane
                      reactors that can be assembled to represent cell setups in
                      order to assess their performance and optimization
                      potential. The models include relevant overpotentials such
                      as ohmic losses and mass transport limitations. The
                      modelling methodology is applied to experimental CO2
                      reduction data in different cell setups. The novelty of the
                      work lies in the parameter estimation to experimental data
                      given for very different electrode/membrane configurations
                      as well as very different gas and liquid flow
                      configurations. The validated models allow the analysis and
                      detailed comparison of dominant loss terms of the reactor
                      setups indicating optimization possibilities and
                      potentials.},
      cin          = {IEK-10},
      ddc          = {660},
      cid          = {I:(DE-Juel1)IEK-10-20170217},
      pnm          = {899 - ohne Topic (POF3-899)},
      pid          = {G:(DE-HGF)POF3-899},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:000555544800013},
      doi          = {10.1016/j.compchemeng.2020.106890},
      url          = {https://juser.fz-juelich.de/record/877448},
}