Development of a THMC code for bentonites in COMSOL Multiphysics

Abstract

The proposed use of active clays for the isolation of radioactive wastes in deep geological repositories has been followed by a deeper understanding of this type of soils. This increased knowledge has led to the need for both conceptual and numerical models capable of capturing the main trends in behaviour and the different couplings between different physical-chemical phenomena. In addition, the model must have a high degree of flexibility that enables it to accommodate future developments or new relevant phenomena. This work presents a numerical THMC code developed entirely on the COMSOL Multiphysics numerical implementation platform, which provides the required adaptability. This model includes, for the first time in this environment, a reactive transport model in unsaturated porous media for a relevant geochemical system (consistent with the MX-80 bentonite) together with a THM model based on a double porosity approach. The chemical potentials of water and solutes are used for the definition of thermodynamic equilibria between both porosity levels. Trends in the behaviour of a bentonite sample under oedometric conditions are satisfactorily simulated in response to a process of saturation and change in salinity conditions. Variations in swelling pressure, porosity distribution or dissolution/precipitation of the main accessory minerals are analysed and explained by means of the proposed conceptual model.

Discrete particle methods for granular bentonite material simulation

“…Numerical modelling of coupled THCM expansive soil behaviour is widespread using continuum methods, namely the finite element method [7,8], applicable up to full-scale systems even though at the expense of resolution. At the laboratory scale, discrete particle-based methods accounting for the granular nature of bentonite materials in the early stages of hydration provide insight into pellet shape and local effects on the mechanical behaviour of dry pellet-powder systems as well as hydro-mechanical effects on the swelling capacity of GBM systems.…”