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@PHDTHESIS{Burre:844880,
      author       = {Burre, Jannik},
      othercontributors = {Mitsos, Alexander and Martin, Mariano Martin},
      title        = {{O}ptimal design of power-to-x processes},
      volume       = {25},
      school       = {Rheinisch-Westfälische Technische Hochschule Aachen},
      type         = {Dissertation},
      address      = {Aachen},
      publisher    = {RWTH Aachen University},
      reportid     = {RWTH-2022-04275},
      series       = {Aachener Verfahrenstechnik series AVT.SVT - Process systems
                      engineering},
      pages        = {1 Online-Ressource : Illustrationen},
      year         = {2022},
      note         = {Veröffentlicht auf dem Publikationsserver der RWTH Aachen
                      University; Dissertation, Rheinisch-Westfälische Technische
                      Hochschule Aachen, 2022},
      abstract     = {The increasing share of renewable energy sources in the
                      electricity grid causes curtailments, which prevent
                      exploiting the full environmental and economic potential of
                      renewable electricity. Power-to-X processes can utilize this
                      electricity to produce certain products that would have been
                      otherwise produced from fossil-based sources. To benefit the
                      most, these Power-to-X processes need to be optimized for a
                      maximum resource-efficiency. We demonstrate that the sole
                      replacement of raw materials for industrial process concepts
                      is not expedient. We therefore develop optimization-based
                      methods to identify sustainable process concepts and support
                      their optimal design. These methods are applied to the
                      production of dimethoxymethane (referred to as DMM or
                      OME1)—a promising synthetic fuel candidate and
                      intermediate for the production of longer-chain oxymethylene
                      ethers (OME3-5). To analyze DMM and OME3-5 production using
                      established process concepts, we implement process models
                      with detailed thermodynamic models from the open literature.
                      Even by considering their maximum potential for heat
                      integration, these process concepts have been found to be
                      much less efficient than those for the production of other
                      synthetic fuel candidates. Therefore, fundamentally new
                      processes need to be designed. Emerging Power-to-X processes
                      are usually on a very different stage of development. To
                      enable a fair comparison and support process design, we
                      develop a methodology that incorporates optimization-based
                      methods on different hierarchy levels. The methodology
                      allows a systematic way to design and evaluate each
                      candidate regarding three key performance indicators:
                      production costs, exergy efficiency, and global warming
                      impact. Applied to five reaction pathways for DMM
                      production, we identified the direct reduction of CO2 to be
                      the most suitable one for sustainable DMM production at its
                      current state. For a successful implementation, detailed
                      process models are necessary. As the complicated form of
                      such models often cause difficulties for deterministic
                      optimization, we develop a hybrid process model for
                      reductive DMM production incorporating Gaussian processes
                      and artificial neural networks. For solving the resulting
                      nonconvex program, we use a reduced-space formulation and a
                      hybrid between the McCormick and the auxiliaryvariable
                      method implemented in our deterministic global solver
                      MAiNGO. Only with these measures on both the modeling and
                      algorithm level, convergence was possible. As Power-to-X
                      design problems often contain discrete decisions, we analyze
                      different problem formulations regarding their suitability
                      for global superstructure optimization and applied the most
                      suitable one to the design problem for reductive DMM
                      production. For mixed-integer nonlinear programming problems
                      containing nonconvex functions, we identified such
                      formulations as particularly promising that reduce the
                      number of optimizationvariables. Although they introduce
                      nonconvex terms, corresponding relaxations remain comparably
                      tight for our example problems. However, a large library
                      with benchmark problems of different complexity would be
                      necessary to derive generally valid statements. The
                      application of optimization-based methods to DMM production
                      has demonstrated great potential. However, also limitations
                      and further improvement potential was identified—for both
                      the methods and DMM production as a Power-to-X process.},
      cin          = {416710},
      ddc          = {620},
      cid          = {$I:(DE-82)416710_20140620$},
      pnm          = {Verbundvorhaben P2X: Erforschung, Validierung und
                      Implementierung von 'Power-to-X' Konzepten - Teilvorhaben Z0
                      (03SFK2Z0) / BMBF-03SF0566P0 - Verbundvorhaben NAMOSYN
                      (BMBF-03SF0566P0)},
      pid          = {G:(BMBF)03SFK2Z0 / G:(DE-82)BMBF-03SF0566P0},
      typ          = {PUB:(DE-HGF)11 / PUB:(DE-HGF)3},
      doi          = {10.18154/RWTH-2022-04275},
      url          = {https://publications.rwth-aachen.de/record/844880},
}