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Thermodynamic modeling of alkali-activated fly ash paste

Journal Article (2024)
Authors

Y. Chen (TU Delft - Materials and Environment, South China University of Technology)

Bin Ma (North China Electric Power University)

Jiayi Chen (TU Delft - Materials and Environment)

Zhenming Li (Harbin Institute of Technology)

Xuhui Liang (TU Delft - Materials and Environment)

Luiz de Lima (TU Delft - Materials and Environment)

C. Liu (TU Delft - Materials and Environment)

Suhong Yin (South China University of Technology)

Qijun Yu (South China University of Technology)

Barbara Lothenbach (Swiss Federal Laboratories for Materials Science and Technology (Empa))

G Ye (TU Delft - Materials and Environment)

Research Group
Materials and Environment
More Info
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Publication Year
2024
Language
English
Research Group
Materials and Environment
Volume number
186
DOI:
https://doi.org/10.1016/j.cemconres.2024.107699
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Abstract

Previously, the lack of a thermodynamic database for N-(C-)A-S-H gel limited the application of thermodynamic modeling to alkali-activated fly ash (AAFA). This study pioneers thermodynamic modeling of AAFA using a recently developed thermodynamic dataset for N-(C-)A-S-H gel. The reaction products, pore solutions and reaction kinetics of AAFA pastes were experimentally determined. Based on the reaction kinetics, the composition of the solid phases and the pore solution of AAFA were modeled over time. The results showed that the simulated compositions of the solid reaction products and pore solution match closely with the experimental results, especially for the sodium hydroxide-activated system. Moreover, modeling results point out the potential presence of minor reaction products (e.g., C-(N-)A-S-H gel, microcrystalline ferrihydrite, Mg-containing phases) undetectable by experimental techniques. The study also demonstrated that thermodynamic modeling accurately captured the amount of bound water in reaction products, highlighting its robustness in both qualitative and quantitative analysis.