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@ARTICLE{Busch:856717,
      author       = {Busch, A. and Kampman, N. and Bertier, P. and Pipich, V.
                      and Feoktystov, A. and Rother, G. and Harrington, J. and
                      Leu, L. and Aertens, M. and Jacops, E.},
      title        = {{P}redicting {E}ffective {D}iffusion {C}oefficients in
                      {M}udrocks {U}sing a {F}ractal {M}odel and {S}mall-{A}ngle
                      {N}eutron {S}cattering {M}easurements},
      journal      = {Water resources research},
      volume       = {54},
      number       = {9},
      issn         = {0043-1397},
      address      = {[New York]},
      publisher    = {Wiley},
      reportid     = {FZJ-2018-06068},
      pages        = {7076 - 7091},
      year         = {2018},
      abstract     = {The determination of effective diffusion coefficients of
                      gases or solutes in the water-saturated pore space of
                      mudrocks is time consuming and technically challenging. Yet,
                      reliable values of effective diffusion coefficients are
                      important to predict migration of hydrocarbon gases in
                      unconventional reservoirs, dissipation of (explosive) gases
                      through clay barriers in radioactive waste repositories,
                      mineral alteration of seals to geological CO2 storage
                      reservoirs and contaminant migration through aquitards. In
                      this study, small angle and very small angle neutron
                      scattering techniques have been utilized to determine a
                      range of transport properties in mudrocks, including
                      porosity, pore size distributions and surface and volume
                      fractal dimensions of pores and grains, from which diffusive
                      transport parameters can be estimated. Using a fractal model
                      derived from Archie’s Law, we calculate effective
                      diffusion coefficients from these parameters and compare
                      them to laboratory-derived effective diffusion coefficients
                      for CO2, H2, CH4 and HTO on either the same or related
                      mudrock samples. The samples include Opalinus Shale from the
                      underground laboratory in Mont Terri, Switzerland; Boom Clay
                      from a core drilled in Mol, Belgium and a marine claystone
                      cored in Utah, USA. The predicted values were compared to
                      laboratory diffusion measurements. The measured and modelled
                      diffusion coefficients show good agreement, differing
                      generally by less than factor 5. Neutron or X-ray scattering
                      analysis is therefore proposed as a novel method for fast,
                      accurate estimation of effective diffusion coefficients in
                      mudrocks, together with simultaneous measurement of multiple
                      transport parameters including porosity, pore size
                      distributions and surface areas, important for (reactive)
                      transport modelling.},
      cin          = {JCNS-FRM-II / Neutronenstreuung ; JCNS-1 / JCNS-2},
      ddc          = {550},
      cid          = {I:(DE-Juel1)JCNS-FRM-II-20110218 /
                      I:(DE-Juel1)JCNS-1-20110106 / I:(DE-Juel1)JCNS-2-20110106},
      pnm          = {6G4 - Jülich Centre for Neutron Research (JCNS) (POF3-623)
                      / 6G15 - FRM II / MLZ (POF3-6G15)},
      pid          = {G:(DE-HGF)POF3-6G4 / G:(DE-HGF)POF3-6G15},
      experiment   = {EXP:(DE-MLZ)KWS1-20140101 / EXP:(DE-MLZ)KWS3-20140101},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:000448088100068},
      doi          = {10.1029/2018WR023425},
      url          = {https://juser.fz-juelich.de/record/856717},
}