Thermodynamic Phase-Field Method for Simulation of Cement Hydration

Modelling dissolution and precipitation processes plays a key role in understanding the mechanisms and phenomena occurring during cement hydration. In this paper, a thermodynamic framework based on a phase-field approach is proposed to simulate cement hydration at the mesoscale. The model describes dissolution and precipitation under coupled reaction–transport conditions with non-equilibrium temperature and concentration fields. The hydration of C 3 S, a main constituent of cement, is numerically investigated using a two-dimensional model. By coupling surface reaction kinetics with ionic transport under non-isothermal and non-equilibrium concentration fields, the model successfully captures the characteristic acceleration and deceleration stages of the hydration rate commonly observed in calorimetric measurements. The simulations demonstrate that both diffusion-controlled and impingement-controlled mechanisms play important roles in the deceleration of the reaction rate. Furthermore, the model enables the simulation of the effect of curing temperature on the hydration process, paving the way for predicting the early-age physical properties of the cement paste.