Intrinsic reactivity and dissolution characteristics of tetracalcium aluminoferrite

Yong Tao, Dawei Wan, Wenqin Zhang, Fazhou Wang, Shuguang Hu

Research output: Journal article publicationJournal articleAcademic researchpeer-review

21 Citations (Scopus)


Tetracalcium aluminoferrite is one of the main phases of Portland cement, the dissolution characteristics of which however have not been fully revealed. This work adopted first-principles calculations and Mössbauer spectroscopy as well as X-ray diffraction analysis to clarify the intrinsic reactivity of different species of tetracalcium aluminoferrite crystals. Ca ions are the most reactive species of tetracalcium aluminoferrite and Al ions are slightly more reactive than Fe ions. Moreover, the tetrahedral Al and Fe ions are more reactive than the octahedral Al and Fe ions. These indicate dissolution characteristics of tetracalcium aluminoferrite crystals, namely, Ca ions dissolve first and the tetrahedral species dissolve faster than the octahedral species. After the initial dissolution, the dissolved ions nucleate and grow on the defective surface of C4AF and the C4AF residues are fully hydroxylated. The further hydration thereafter becomes the complex dissolution with the nucleation and growth of hydration products.

Original languageEnglish
Article number106485
JournalCement and Concrete Research
Publication statusPublished - Aug 2021
Externally publishedYes


  • Density functional theory
  • Dissolution
  • Reactivity
  • Tetracalcium aluminoferrite

ASJC Scopus subject areas

  • Building and Construction
  • General Materials Science


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