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@ARTICLE{Poonoosamy:906831,
      author       = {Poonoosamy, Jenna and Lu, Renchao and Lönartz, Mara Iris
                      and Deissmann, Guido and Bosbach, Dirk and Yang, Yuankai},
      title        = {{A} {L}ab on a {C}hip {E}xperiment for {U}pscaling
                      {D}iffusivity of {E}volving {P}orous {M}edia},
      journal      = {Energies},
      volume       = {15},
      number       = {6},
      issn         = {1996-1073},
      address      = {Basel},
      publisher    = {MDPI},
      reportid     = {FZJ-2022-01725},
      pages        = {2160 -},
      year         = {2022},
      abstract     = {Reactive transport modelling is a powerful tool to assess
                      subsurface evolution in various energy-related applications.
                      Upscaling, i.e., accounting for pore scale heterogeneities
                      into larger scale analyses, remains one of the biggest
                      challenges of reactive transport modelling. Pore scale
                      simulations capturing the evolutions of the porous media
                      over a wide range of Peclet and Damköhler number in
                      combination with machine learning are foreseen as an
                      efficient methodology for upscaling. However, the accuracy
                      of these pore scale models needs to be tested against
                      experiments. In this work, we developed a lab on a chip
                      experiment with a novel micromodel design combined with
                      operando confocal Raman spectroscopy, to monitor the
                      evolution of porous media undergoing coupled mineral
                      dissolution and precipitation processes due to diffusive
                      reactive fluxes. The 3D-imaging of the porous media combined
                      with pore scale modelling enabled the derivation of upscaled
                      transport parameters. The chemical reaction tested involved
                      the replacement of celestine by strontianite, whereby a net
                      porosity increase is expected because of the smaller molar
                      volume of strontianite. However, under our experimental
                      conditions, the accessible porosity and consequently
                      diffusivity decreased. We propose a transferability of the
                      concepts behind the Verma and Pruess relationship to be
                      applied to also describe changes of diffusivity for evolving
                      porous media. Our results highlight the importance of
                      calibrating pore scale models with quantitative experiments
                      prior to simulations over a wide range of Peclet and
                      Damköhler numbers of which results can be further used for
                      the derivation of upscaled parameters.},
      cin          = {IEK-6},
      ddc          = {620},
      cid          = {I:(DE-Juel1)IEK-6-20101013},
      pnm          = {1411 - Nuclear Waste Disposal (POF4-141)},
      pid          = {G:(DE-HGF)POF4-1411},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:000775610500001},
      doi          = {10.3390/en15062160},
      url          = {https://juser.fz-juelich.de/record/906831},
}