Predictive Hydration Model of Portland Cement and Its Main Minerals Based on Dissolution Theory and Water Diffusion Theory

Efficient and accurate cement hydration simulation is an important issue for predicting and analyzing concrete’s performance evolution. A large number of models have been proposed to describe cement hydration. Some models can simulate the test results with high accuracy by constructing reasonable functions, but they are based on mathematical regression and lack of physical background and prediction ability. Other models, such as the famous HYMOSTRUC model and CEMHYD3D model, can predict the hydration rate and microstructure evolution of cement based on its initial microstructure. However, this kind of prediction model also has some limitations, such as the inability to fully consider the properties of cement slurry, or being too complicated for use in finite element analysis (FEA). In this study, the hydration mechanisms of the main minerals in Portland cement (PC) are expounded, and the corresponding hydration model is built. Firstly, a modified particle hydration model of tricalcium silicate (C(3)S) and alite is proposed based on the moisture diffusion theory and the calcium silicate hydrate (C-S-H) barrier layer hypothesis, which can predict the hydration degree of C(3)S and alite throughout the age. Taking the hydration model of C(3)S as a reference, the hydration model of dicalcium silicate (C(2)S) is established, and the synergistic hydration effect of C(3)S and C(2)S is calibrated by analyzing the published test results. The hydration model of tricalcium aluminate(C(3)A)-gypsum system is then designed by combining the theory of dissolution and diffusion. This model can reflect the hydration characteristics of C(3)A in different stages, and quantify the response of the hydration process of C(3)A to different gypsum content, water–cement ratio, and particle size distribution. Finally, several correction coefficients are introduced into the hydration model of the main mineral, to consider the synergistic hydration effect among the minerals to some extent and realize the prediction of the hydration of PC.