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@INPROCEEDINGS{Bosbach:154632,
      author       = {Bosbach, Dirk and Brandt, Felix and Klinkenberg, Martina
                      and Vinograd, Victor and Rozov, Konstantin and Weber,
                      Juliane and Breuer, Uwe},
      title        = {{R}adionuclide solubility control in solid solution –
                      aqueous solution systems: {R}adium solubility in the
                      presence of barite},
      reportid     = {FZJ-2014-03922},
      year         = {2014},
      abstract     = {The migration of radionuclides in the geosphere is to a
                      large extend controlled by sorption processes onto minerals
                      and colloids. On a molecular level, sorption phenomena
                      involve surface complexation, ion exchange as well as
                      co/precipitation reactions. Coprecipitation leads to the
                      formation of structurally incorporated radionuclides in a
                      host structure. Such solid solutions are ubiquitous in
                      natural systems - most minerals in nature are atomistic
                      mixtures of elements rather than pure compounds. Deriving a
                      thermodynamic model requires a molecular level concept
                      including information such as the actual substitution
                      mechanism, site occupancies and related ordering phenomena.
                      However, radionuclide solubility controlled by solid
                      solutions is currently not considered in long term safety
                      assessments for a nuclear waste repository system. One
                      reason is related to the fact that only a limited number of
                      rather simple solid solution systems have been studied to a
                      sufficient level.The control of Radium solubility in
                      (Ra,Ba,Sr)S04 solid solution - aqueous solution systems
                      under relevant conditions will be discussed. ln general, its
                      solubility is significantly reduced if it is controlled by a
                      binary (Ra,Ba)S04 solid solution or an even more complex
                      ternary (Ra,Ba,Sr)S04 solid solution. New experimental data
                      as well as computational approaches using first principle
                      calculations will be discussed. ln particular with respect
                      to the conditions of interest here, one quest always needs
                      to be considered: Do measured data of the solid solution and
                      the aqueous solution represent equilibrium conditions or do
                      they represent a metastable situation? The challenge to
                      derive thermodynamic data from experiments in aqueous
                      solution at rel. low temperatures with potentially
                      metastable states will be discussed.},
      month         = {Jul},
      date          = {2014-07-14},
      organization  = {Workshop "Radiation damage in
                       structures - Relevance for nuclear
                       waste disposal" Körber-Stiftung, Forum
                       für Impulse, Hamburg (Germany), 14 Jul
                       2014 - 15 Jul 2014},
      subtyp        = {Invited},
      cin          = {IEK-6 / ZCH},
      cid          = {I:(DE-Juel1)IEK-6-20101013 / I:(DE-Juel1)ZCH-20090406},
      pnm          = {142 - Safety Research for Nuclear Waste Disposal (POF2-142)
                      / HITEC - Helmholtz Interdisciplinary Doctoral Training in
                      Energy and Climate Research (HITEC) (HITEC-20170406)},
      pid          = {G:(DE-HGF)POF2-142 / G:(DE-Juel1)HITEC-20170406},
      typ          = {PUB:(DE-HGF)31},
      url          = {https://juser.fz-juelich.de/record/154632},
}