Abstract
| Original language | English |
|---|---|
| Pages (from-to) | 5521-5527 |
| Number of pages | 7 |
| Journal | Journal of the American Ceramic Society |
| Volume | 100 |
| Issue number | 12 |
| DOIs | |
| Publication status | Published - Dec 2017 |
| MoE publication type | A1 Journal article-refereed |
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Keywords
- dissolution
- fly ash
- glass
- reactivity
- topological constraint theory
Cite this
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Topological controls on the dissolution kinetics of glassy aluminosilicates. / Oey, Tandre; Kumar, Aditya; Pignatelli, Isabella; Yu, Yingtian; Neithalath, Narayanan; Bullard, Jeffrey; Bauchy, Mathieu; Sant, Gaurav.
In: Journal of the American Ceramic Society, Vol. 100, No. 12, 12.2017, p. 5521-5527.Research output: Contribution to journal › Article › Scientific › peer-review
TY - JOUR
T1 - Topological controls on the dissolution kinetics of glassy aluminosilicates
AU - Oey, Tandre
AU - Kumar, Aditya
AU - Pignatelli, Isabella
AU - Yu, Yingtian
AU - Neithalath, Narayanan
AU - Bullard, Jeffrey
AU - Bauchy, Mathieu
AU - Sant, Gaurav
PY - 2017/12
Y1 - 2017/12
N2 - 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.
AB - 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.
KW - dissolution
KW - fly ash
KW - glass
KW - reactivity
KW - topological constraint theory
UR - http://www.scopus.com/inward/record.url?scp=85027504451&partnerID=8YFLogxK
U2 - 10.1111/jace.15122
DO - 10.1111/jace.15122
M3 - Article
VL - 100
SP - 5521
EP - 5527
JO - Journal of the American Ceramic Society
JF - Journal of the American Ceramic Society
SN - 0002-7820
IS - 12
ER -