Seminario Torroja. Modelling and simulation of alkali-activated materials скачать в хорошем качестве

Seminario Torroja. Modelling and simulation of alkali-activated materials

Resumen Alkali-activated materials (AAMs) are a class of potentially eco-friendly construction materials that can contribute to reduce the environmental impact of the construction sector by offering an alternative to Portland cement (PC). With the rapid development of both computational capabilities and theoretical insights into alkali-activation reaction processes, there has been a surge in research activities worldwide, leading to a growing demand for computational methods that can describe different characteristics of AAMs.  While many numerical models have been well developed and widely used in the studies of PC-based materials, such as the hydration and microstructure simulation models HYMOSTRUC and CEMHYD3D, they are not immediately applicable to AAMs due to their intrinsic differences. This lecture will explicitly illustrate these intrinsic differences in terms of raw materials, reaction mechanism, reaction products, microstructure formation, and pore solution chemistry between AAMs and PC-based materials. Afterwards, a brief summary will be presented on the current state-of-the-art of modeling and simulation of AAMs in the past two decades. The most relevant results and advances in the aspects of atomistic simulation, thermodynamic modeling, microstructure/-based simulation, and multi-scale modeling will be particularly highlighted. Yibing Zuo