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@ARTICLE{Bittner:1031833,
      author       = {Bittner, Kai and Margaritis, Nikolaos and Schulze-Küppers,
                      Falk and Wolters, Jörg and Natour, Ghaleb},
      title        = {{CFD} {M}odelling of {H}ydrogen {P}roduction via {W}ater
                      {S}plitting in {O}xygen{M}embrane {R}eactors},
      journal      = {Membranes},
      volume       = {14},
      number       = {10},
      issn         = {2077-0375},
      address      = {Basel},
      publisher    = {MDPI},
      reportid     = {FZJ-2024-05848},
      pages        = {219 -},
      year         = {2024},
      abstract     = {The utilization of oxygen transport membranes enables the
                      production of high-purityhydrogen by the thermal
                      decomposition of water below 1000 ◦C. This process is
                      based on a chemicalpotential gradient across the membrane,
                      which is usually achieved by introducing a reducing
                      gas.Computational fluid dynamics (CFD) can be used to model
                      reactors based on this concept. In thisstudy, a modelling
                      approach for water splitting is presented in which oxygen
                      transport throughthe membrane acts as the rate-determining
                      process for the overall reaction. This transport stepis
                      implemented in the CFD simulation. Both gas compartments are
                      modelled in the simulations.Hydrogen and methane are used as
                      reducing gases. The model is validated using experimental
                      datafrom the literature and compared with a simplified
                      perfect mixing modelling approach. Althoughthe main focus of
                      this work is to propose an approach to implement the water
                      splitting in CFDsimulations, a simulation study was
                      conducted to exemplify how CFD modelling can be utilized
                      indesign optimization. Simplified 2-dimensional and
                      rotational symmetric reactor geometries werecompared. This
                      study shows that a parallel overflow of the membrane in an
                      elongated reactor isadvantageous, as this reduces the back
                      diffusion of the reaction products, which increases the
                      meandriving force for oxygen transport through the
                      membrane.},
      cin          = {ZEA-1},
      ddc          = {570},
      cid          = {I:(DE-Juel1)ZEA-1-20090406},
      pnm          = {1232 - Power-based Fuels and Chemicals (POF4-123)},
      pid          = {G:(DE-HGF)POF4-1232},
      typ          = {PUB:(DE-HGF)16},
      pubmed       = {39452831},
      UT           = {WOS:001342790600001},
      doi          = {10.3390/membranes14100219},
      url          = {https://juser.fz-juelich.de/record/1031833},
}