Guidelines for thermodynamic sorption modelling in the context of radioactive waste disposal

نویسندگان

  • Tim E. Payne
  • V. Brendler
  • M. Ochs
  • B. Baeyens
  • P. L. Brown
  • J. A. Davis
  • Christian Ekberg
  • Dmitrii A. Kulik
  • J. Lützenkirchen
  • Tiziana Missana
  • Y. Tachi
  • L. R. Van Loon
  • Scott Altmann
چکیده

Thermodynamic sorption models (TSMs) offer the potential to improve the incorporation of sorption in environmental modelling of contaminant migration. One specific application is safety cases for radioactive waste repositories, in which radionuclide sorption on mineral surfaces is usually described using distribution coefficients (Kd values). TSMs can be utilised to provide a scientific basis for the range of Kd values included in the repository safety case, and for assessing the response of Kd to changes in chemical conditions. The development of a TSM involves a series of decisions on model features such as numbers and types of surface sites, sorption reactions and electrostatic correction factors. There has been a lack of consensus on the best ways to develop such models, and on the methods of determination of associated parameter values. The present paper therefore presents recommendations on a number of aspects of model development, which are applicable both to radioactive waste disposal and broader environmental

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عنوان ژورنال:
  • Environmental Modelling and Software

دوره 42  شماره 

صفحات  -

تاریخ انتشار 2013