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@PHDTHESIS{Weiske:912050,
      author       = {Weiske, Stefan},
      title        = {{E}valuation von {R}eaktorkonzepten für die {CO}2-basierte
                      {M}ethanolsynthese aus {W}asserstoff und {K}ohlendioxid
                      mithilfe von {CFD}-{S}imulationen},
      volume       = {592},
      school       = {RWTH Aachen University},
      type         = {Dissertation},
      address      = {Jülich},
      publisher    = {Forschungszentrum Jülich GmbH Zentralbibliothek, Verlag},
      reportid     = {FZJ-2022-05277},
      isbn         = {978-3-95806-661-8},
      series       = {Schriften des Forschungszentrums Jülich Reihe Energie $\&$
                      Umwelt / Energy $\&$ Environment},
      pages        = {x, 369},
      year         = {2022},
      note         = {Dissertation, RWTH Aachen University, 2022},
      abstract     = {The abatement of the anthropogenic climate change and
                      dependency on fossile energy carriers are two of the
                      greatest challenges, which mankind has to overcome in the
                      current century. The approach of utilization of as much as
                      possible renewable sources for a sustainable energy supply
                      holds many challenges for the established supply structures
                      as well. Especially the temporal and local balance of
                      renewable energies seems to be an important obstacle in the
                      terms of the energy transition. Synthetic fuels can
                      contribute to this balance by providing renewable energies
                      to the transport sector via the concept of sector coupling.
                      Methanol prevails to be in a key role, whether utilized as
                      an alternative fuel or as base chemical for the production
                      of advanced alternative fuels. The topic of this PhD-thesis
                      is to analyze different pathways for the renewable
                      production of methanol. The focus of this analysis is set to
                      the developed reactor concepts. A study of potential
                      reactors evaluates the different concepts from a point of
                      view of the synthesis process. In this study CFD-models will
                      be developed to perform detailed analyses with changing
                      boundary conditions. The CFD-models of the reactors have to
                      combine different aspects in the modeling process. In terms
                      of modeling the reaction kinetics of the CO2-based methanol
                      synthesis three Langmuir-Hinshelwood models are selected:
                      Graaf [1], Bussche and Froment [2] and by Seidel et al. [3].
                      The mass transport is modeled by the concept of catalyst
                      efficiencies. The model by Graaf [1] is selected to be used
                      in further studies, because it shows the best agreement with
                      the experimental data from an industrial reactor and and the
                      prediction of the chosen reference case seems to be the most
                      reasonable. The frame of this potential study includes
                      simulations of quasi-isothermal tube reactors like the
                      Lurgi-type reactor, the Mitsubishi-Superconverter und an
                      innovative membrane reactor. The quench reactor is
                      integrated in this study as well. Tailormade optimization
                      strategies are applied to the diverse reactor concepts,
                      which show the intrinsic advantages of the reactor concepts
                      to optimize the production of methanol. Furthermore, fluid
                      dynamic analyses are used to determine the potential of
                      application of fluidized bed and slurry bubble coloumn
                      reactors in methanol synthesis processes. In the end the
                      membrane reactor shows the greatest potential to overcome
                      the challenges of CO2-based methanol synthesis by an in-situ
                      capture of water},
      cin          = {IEK-14},
      cid          = {I:(DE-Juel1)IEK-14-20191129},
      pnm          = {1232 - Power-based Fuels and Chemicals (POF4-123)},
      pid          = {G:(DE-HGF)POF4-1232},
      typ          = {PUB:(DE-HGF)3 / PUB:(DE-HGF)11},
      urn          = {urn:nbn:de:0001-2023013148},
      url          = {https://juser.fz-juelich.de/record/912050},
}