Publication Details

Category Text Publication
Reference Category Journals
DOI 10.1016/j.apgeochem.2009.04.001
Title (Primary) Modeling reactive transport in non-ideal aqueous-solid solution system
Author Shao, H.B. ORCID logo ; Dmytrieva, S.V.; Kolditz, O. ORCID logo ; Kulik, D.A.; Pfingsten, W.; Kosakowski, G.
Source Titel Applied Geochemistry
Year 2009
Department ENVINF
Volume 24
Issue 7
Page From 1287
Page To 1300
Language englisch
Abstract The numerical simulation of reactive mass transport processes in complex geochemical environments is an important tool for the performance assessment of future waste repositories. A new combination of the multi-component mass transport code GeoSys/RockFlow and the Gibbs Energy Minimization (GEM) equilibrium solver GEM-Selektor is used to calculate the accurate equilibrium of multiple non-ideal solid solutions which are important for the immobilization of radionuclides such as Ra. The coupled code is verified by a widely used benchmark of dissolution-precipitation in a calcite-dolomite system. A more complex application shown in this paper is the transport of Ra in the near-field of a nuclear waste repository. Depending on the initial inventories of Sr, Ba and sulfate, non-ideal sulfate and carbonate solid solutions can fix mobile Ra cations. Due to the complex geochemical interactions, the reactive transport simulations can describe the migration of Ra in a much more realistic way than using the traditional linear K-D approach only.
Persistent UFZ Identifier
Shao, H.B., Dmytrieva, S.V., Kolditz, O., Kulik, D.A., Pfingsten, W., Kosakowski, G. (2009):
Modeling reactive transport in non-ideal aqueous-solid solution system
Appl. Geochem. 24 (7), 1287 - 1300 10.1016/j.apgeochem.2009.04.001