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@ARTICLE{Ploch:878493,
      author       = {Ploch, Tobias and von Lieres, Eric and Wiechert, Wolfgang
                      and Mitsos, Alexander and Hannemann-Tamás, Ralf},
      title        = {{S}imulation of differential-algebraic equation systems
                      with optimization criteria embedded in {M}odelica},
      journal      = {Computers $\&$ chemical engineering},
      volume       = {140},
      issn         = {0098-1354},
      address      = {Amsterdam [u.a.]},
      publisher    = {Elsevier Science},
      reportid     = {FZJ-2020-02882},
      pages        = {106920 -},
      year         = {2020},
      abstract     = {Differential-algebraic equations with embedded optimization
                      criteria (DAEO) are a class of mathematical models for
                      underdetermined differential-algebraic equation (DAE)
                      systems with less algebraic equations than algebraic
                      variables. The algebraic variables may be calculated as the
                      solution of an embedded (non)linear program, yielding a DAEO
                      system. An example for DAEOs is the dynamic flux balance
                      analysis (DFBA) approach, where the formulation of metabolic
                      reaction networks leads to an underdetermined equation
                      system for the intracellular fluxes that are assumed to
                      behave optimally with respect to some cell-specific
                      optimization criterion.We present a toolbox that allows
                      formulation of DAEOs in the object-oriented Modelica
                      modeling language. The solution method is based on
                      substituting the embedded optimization problem with its
                      first-order Karush-Kuhn-Tucker conditions to obtain a
                      nonsmooth DAE system that can be simulated by a root-finding
                      DAE solver. One nonlinear example and two examples based on
                      DFBA demonstrate the performance of the toolbox.},
      cin          = {IBG-1 / IEK-10},
      ddc          = {660},
      cid          = {I:(DE-Juel1)IBG-1-20101118 / I:(DE-Juel1)IEK-10-20170217},
      pnm          = {583 - Innovative Synergisms (POF3-583)},
      pid          = {G:(DE-HGF)POF3-583},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:000555539300008},
      doi          = {10.1016/j.compchemeng.2020.106920},
      url          = {https://juser.fz-juelich.de/record/878493},
}