Abstract
This work explores from a theoretical viewpoint the underlying growth mechanisms which govern the formation of the most important hydration product present in cementitious environments, the so called C-S-H (calcium-silicate- hydrate) gel. Aiming at identifying the basic building blocks which make up the cementitious C-S-H gel, we have performed ab-initio calculations at the Hartree Fock (HF) level. Two different growth mechanisms have been identified depending on the amount of Si and Ca ions, which naturally lead to the appearance of tobermorite-like and jennite-like nano-crystals.
Original language | English |
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Pages (from-to) | 45-51 |
Number of pages | 7 |
Journal | Journal of Computer-Aided Materials Design |
Volume | 14 |
Issue number | 1 |
DOIs | |
Publication status | Published - Apr 2007 |
Keywords
- Ab-initio calculations
- C-S-H gel
- Cement-based materials
- Jennite
- Self-assembly
- Tobermorite