The Joint DMG, DGK and BMBF-IMMORAD Verbundprojekt Workshop "From atomistic calculations to thermodynamic modelling" (18-22 February 2013) will be hosted by the Institute of Geosciences at the University of Frankfurt.
The workshop will cover a range of theoretical problems relevant to the disposal of nuclear waste in rock formations. The central problem which will be discussed is the re-immobilization of long-lived radionuclides by secondary minerals. This problem will be addressed via modelling of the relevant solid-aqueous equilibria with the aid of thermodynamic modelling software.
The main aim of the workshop is to introduce the students to modern thermodynamic modelling and atomistic simulation software tools and to show how these tools can be employed for estimating missing thermodynamic data on the secondary minerals and the relevant aqueous species.