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An integrated sorption-diffusion model for the calculation of consistent distribution and diffusion coefficients in

M Ochs1, B Lothenbach, H Wanner

  • 1BMG Engineering Ltd., Ifangstrasse 11, CH-8952 Zurich-Schlieren, Switzerland. michael.ochs@bmgeng.ch

Journal of Contaminant Hydrology
|April 6, 2001
PubMed
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This study integrates thermodynamic sorption and electric double layer (EDL) diffusion models to predict ion transport in bentonite. The model accurately forecasts diffusion coefficients and distribution coefficients for various ions across different bentonite densities.

Area of Science:

  • Geochemistry
  • Materials Science
  • Chemical Engineering

Background:

  • Understanding ion transport in porous media like bentonite is crucial for applications such as nuclear waste disposal.
  • Existing models often treat porewater chemistry, surface reactions, and charged pore wall effects separately.
  • A unified approach is needed for consistent prediction of solute behavior in compacted clays.

Purpose of the Study:

  • To develop and validate an integrated surface chemical model for predicting ion diffusion and sorption in bentonite.
  • To consistently account for porewater chemistry, surface reactions, and electric double layer (EDL) effects on ion transport.
  • To assess the model's predictive capability for various ions (cations, anions, neutral species) and conditions.

Main Methods:

Related Experiment Videos

  • Integration of a thermodynamic sorption model with a diffusion model based on electric double layer (EDL) theory.
  • Optimization of the model's key parameter (Stern and diffuse layer contribution to surface charge compensation) using Cs diffusion data in Kunipia-F bentonite.
  • Direct prediction of apparent diffusivities (Da), effective diffusivities (De), and distribution coefficients (Kd) for multiple ions and varying dry densities.

    • Main Results:

    • The integrated model successfully predicted apparent diffusivities (Da) for Cs, Sr, Cl-, I-, and TcO4-.
    • Calculated distribution coefficients (Kd) for Cs and Sr were consistent with model predictions across different bentonites and dry densities.
    • Effective diffusivities (De) for Cs, HTO, and TcO4- were calculated and found to be consistent with Da and Kd values.
    • Model predictions showed good agreement with published experimental data for both diffusion and Kd values.

    Conclusions:

    • The developed surface chemical model provides a consistent framework for understanding and predicting ion transport in compacted bentonite.
    • The model effectively captures the influence of charged pore walls and surface chemistry on the diffusion of various ionic species.
    • This approach offers a reliable tool for assessing the long-term performance of bentonite barriers in geological disposal systems.