A coupled transport-reaction model for simulating autogenous self-healing in cementitious materials. Part I : Theory

In this study, a coupled transport-reaction model was specifically developed for simulating autogenous self-healing in cementitious materials. The diffusion of ions between the solution in the crack and in the bulk paste is simulated with a transport model. The concentration of ions in the crack can be calculated. As the kinetics of chemical reactions is faster than diffusion, the chemical reactions taking place in the crack can be simulated by thermodynamic calculation. With the thermodynamic calculation, the amount of reaction products formed in the crack and the remaining ion concentrations after the chemical reactions can be determined. In this way, autogenous self-healing in cementitious materials is simulated iteratively by means of diffusion calculation then thermodynamic calculation at each time step.