Abstract

Fly ash which encompasses a mixture of glassy and crystalline aluminosilicates is an abundant supplementary cementitious material (SCM), valuable for replacing ordinary portland cement (OPC) in the binder fraction in concrete. Because higher OPC replacement levels are desired, it is critically important to better understand and quantify fly ash reactivity. By combining molecular dynamics (MD) simulations and vertical scanning interferometry (VSI), this study establishes that the reactivity of the glassy fractions in a fly ash with water (i.e., their aqueous dissolution rate) is controlled by the number of constraints placed on atoms within the disordered aluminosilicate network. More precisely, an Arrhenius-like dependence of dissolution rates on the atomic network topology is observed. Such topological controls on fly ash reactivity are highlighted for a range of U.S. commercial fly ashes spanning CaO-enriched and SiO2-enriched compositions. The structure-property relationships reported herein establish an improved framework to control and estimate fly ash-cement interactions in concrete.

Original languageEnglish (US)
JournalJournal of the American Ceramic Society
DOIs
StateAccepted/In press - 2017

Fingerprint

Coal Ash
Aluminosilicates
Fly ash
Dissolution
Kinetics
Portland cement
Concretes
Interferometry
Binders
Molecular dynamics
aluminosilicate
Cements
Topology
Crystalline materials
Scanning
Atoms
Water
Computer simulation
Chemical analysis

Keywords

  • Dissolution
  • Fly ash
  • Glass
  • Reactivity
  • Topological constraint theory

ASJC Scopus subject areas

  • Ceramics and Composites
  • Materials Chemistry

Cite this

Topological controls on the dissolution kinetics of glassy aluminosilicates. / Oey, Tandré; Kumar, Aditya; Pignatelli, Isabella; Yu, Yingtian; Neithalath, Narayanan; Bullard, Jeffrey W.; Bauchy, Mathieu; Sant, Gaurav.

In: Journal of the American Ceramic Society, 2017.

Research output: Contribution to journalArticle

Oey, Tandré ; Kumar, Aditya ; Pignatelli, Isabella ; Yu, Yingtian ; Neithalath, Narayanan ; Bullard, Jeffrey W. ; Bauchy, Mathieu ; Sant, Gaurav. / Topological controls on the dissolution kinetics of glassy aluminosilicates. In: Journal of the American Ceramic Society. 2017.
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AU - Bullard, Jeffrey W.

AU - Bauchy, Mathieu

AU - Sant, Gaurav

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