Carbonation process simulation for cement-based materials based on microstructure by a cement hydration model

Abstract Based on three-dimensional distributions of cement particles, cement hydration was simulated to obtain the hydrate content and the pore structure of cement paste. Additionally, the porosity of mortar and concrete was obtained by considering aggregate inclusion and interfacial transition zones (ITZ). Then, a coupled model for heat transfer, moisture transport and carbonation in cement-based materials was established. The experimental carbonation results agreed well with the simulated results for mortars and concretes with different water-cement ratios. The carbonation reaction front was far beyond the complete carbonation depth. The aggregate dilution had a more significant effect on carbonation than the ITZ did.