Hydration reactivity difference between dicalcium silicate and tricalcium silicate revealed from structural and Bader charge analysis

• Published in: International journal of minerals, metallurgy and materials Vol. 29; no. 2; pp. 335 - 344
• Main Authors: Qi, Chongchong, Xu, Xinhang, Chen, Qiusong
• Format: Journal Article
• Language: English
• Published: Beijing University of Science and Technology Beijing 01.02.2022; Springer Nature B.V
• Subjects: Adsorbed water; Adsorption; Calcium; Cement hydration; Cements; Ceramics; Characterization and Evaluation of Materials; Chemistry and Materials Science; Composites; Corrosion and Coatings; Density functional theory; Dicalcium silicate; Electron distribution; Electronic properties; Electrons; Glass; Hydration; Materials Science; Metallic Materials; Natural Materials; Reactivity; Silica; Silicates; Silicon; Surface chemistry; Surfaces and Interfaces; Thin Films; Tribology; Tricalcium silicate; Unit cell; Water chemistry; hydration reactivity; first-principle calculations; calcium silicates; Portland cement

Cement hydration is the underlying mechanism for the strength development in cement-based materials. The structural and electronic properties of calcium silicates should be elucidated to reveal their difference in hydration reactivity. Here, we comprehensively compared β-C 2 S and M3-C 3 S and inves...