Transport properties evolution of cement model system under degradation - Incorporation of a pore-scale approach into reactive transport modelling

This paper describes a multi-scale approach for the modelling of the degradation of model cement pastes using reactive transport. It specifically aims at incorporating chemistry-transport feedback results from a pore-scale approach into a continuum description. Starting from a numerical representative elementary volume of the model cement paste, which was built according to extensive experimental dedicated chacarterizations, this paper provides three separate descriptions of two different degradations: leaching and carbonation. First, 2D pore-scale simulations are performed and predict degradation depths in very good agreement with experiments. Second, 3D pore scale descriptions of how the microstructre evolves provides accurate description of the evolution of transport properties through degradation. Finally, those latter results are incorporated as a feedback law between porosity and effective diffusion coefficient into a 1D continuum approach of reactive transport. This paper provides pore-scale explanations of why reactive transport modelling has encountered mitigated success when applied to cementitious materials, especially during carbonation or degradations consisting of precipitation reactions. In addition to that, different degradation modellings are in very good agreement with experimental observations. •Results are based on accurate and dedicated experimental results without fitting parameters.•Modellings of leaching were in good agreement with experimental results.•3D modelling of carbonation brings key understanding of carbonation impact.•2D modellings of carbonation are in good agreement with experiments.•The exogeneous crust formation was explained based on microstructural features.