Engineering and Technology

The initial stages of cement hydration at the molecular level

X. Xu, C. Qi, et al.

Explore the groundbreaking research by Xinhang Xu and colleagues on cement hydration, revealing insightful molecular dynamics simulations of tricalcium and dicalcium silicate. Discover the distinct calcium dissolution pathways that could revolutionize environmentally friendly cement development!

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Abstract

Cement hydration is crucial for strength development in cement-based materials. This study uses molecular dynamics simulations with a reactive force field to investigate the initial hydration processes of tricalcium silicate (C3S) and dicalcium silicate (C2S). Simulations reveal the dissolution pathways of calcium ions, showing two distinct processes for C3S. The findings enhance understanding of the calcium dissolution stage and provide a valuable reference for investigating initial cement hydration, crucial for developing environmentally friendly cement and reducing carbon emissions.

Publisher

Nature Communications

Published On

Mar 29, 2024

Authors

Xinhang Xu, Chongchong Qi, Xabier M. Aretxabaleta, Chundi Ma, Dino Spagnoli, Hegoi Manzano

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