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<p>Optimizing the utilization of SCMs in concrete requires understanding their composition-structure–reactivity relationships, a task that remains challenging due to their inherent structural and chemical complexity. This study addresses this challenge by analyzing a diverse range of calcium aluminosilicate (CAS) glasses, serving as pure-phase model systems to better understand SCM reactivity. Sixteen CAS glasses were synthesized, with their amorphous nature confirmed by X-ray diffraction (XRD), and their reactivity assessed using heat release measurements from a modified R<sup>3</sup> test. X-ray diffraction (XRD) was performed to study the glass structure. Although several structural parameters—non-bridging per tetrahedral oxygens (NBO/T), average <i>Q</i><sup>n</sup> (Si) species, metal–oxygen bond strength (<i>S</i><sub>M–O</sub>), the average number of topological constraints per atom (<i>n</i><sub><i>r</i></sub>), and XRD hump maxima angle—correlated linearly with CaO (reflecting its depolymerizing effect), the 72-h heat release followed a non-linear trend with CaO. It increased initially, peaked at around 35–45&#xa0;mol % CaO, then decreased. Consequently, high-CaO glasses reacted rapidly but did not sustain their reaction over time, whereas those with higher SiO<sub>2</sub> content showed slower yet more prolonged reactivity. These findings demonstrate that reactivity cannot be directly predicted from existing structural descriptors alone.</p>

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Reactivity and reaction kinetics of calcium aluminosilicate glasses

  • 期刊论文

  • 出版模式：

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  • 发表日期：

    2025年12月25日

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  • Subhashree Panda,
  • Luis Ruiz Pestana,
  • Prannoy Suraneni

摘要

Optimizing the utilization of SCMs in concrete requires understanding their composition-structure–reactivity relationships, a task that remains challenging due to their inherent structural and chemical complexity. This study addresses this challenge by analyzing a diverse range of calcium aluminosilicate (CAS) glasses, serving as pure-phase model systems to better understand SCM reactivity. Sixteen CAS glasses were synthesized, with their amorphous nature confirmed by X-ray diffraction (XRD), and their reactivity assessed using heat release measurements from a modified R3 test. X-ray diffraction (XRD) was performed to study the glass structure. Although several structural parameters—non-bridging per tetrahedral oxygens (NBO/T), average Qn (Si) species, metal–oxygen bond strength (SM–O), the average number of topological constraints per atom (nr), and XRD hump maxima angle—correlated linearly with CaO (reflecting its depolymerizing effect), the 72-h heat release followed a non-linear trend with CaO. It increased initially, peaked at around 35–45 mol % CaO, then decreased. Consequently, high-CaO glasses reacted rapidly but did not sustain their reaction over time, whereas those with higher SiO2 content showed slower yet more prolonged reactivity. These findings demonstrate that reactivity cannot be directly predicted from existing structural descriptors alone.