JRP 03-08

Partners

FZD

PSI

Contact

A. Rossberg
The Rossendorf Beamline (BM20) - ESRF - P.O. Box 220 38043 Grenoble Cedex - France
Phone +33 (0) 476 88 28 47
E-mail e-mail

Development of advanced EXAFS analysis methods for speciation of radionuclides in natural systems

Status

 
Terminated - Planned from January 2006 till January 2007

Goals

The goal of this joint research project is to develop a new strategy for EXAFS data analysis, based on statistical methods. The new EXAFS approach will be combined with quantum chemical methods to overcome the problems of shell fitting as standard EXAFS analysis (i.e. the incapability of resolving metal speciation in complex natural systems where aqueous, sorbed and mineral species may coexist).

Expected results

The results of this joint research project will contribute to:

  • the promotion of the development of new speciation and theoretical modelling methods;
  • the improvement of the accuracy of structure determination;
  • the increase of usable information content on EXAFS spectra;
  • the reinvestigation and refinement of the structure of known systems;
  • the closure of the gap between theory and practice;
  • the integration of three different fields of expertise in EXAFS modeling: MC simulations, factor analysis and quantum chemical- and surface complexation modelling.

Reports