On the formation of cementitious C-S-H nanoparticles

H. Manzano, A. Ayuela, J. S. Dolado

Research output: Contribution to journalArticlepeer-review

46 Citations (Scopus)

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 languageEnglish
Pages (from-to)45-51
Number of pages7
JournalJournal of Computer-Aided Materials Design
Volume14
Issue number1
DOIs
Publication statusPublished - Apr 2007

Keywords

  • Ab-initio calculations
  • C-S-H gel
  • Cement-based materials
  • Jennite
  • Self-assembly
  • Tobermorite

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