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The reactivity of amorphous aluminosilicates in alkaline environments isimportant to many applications, including blended Portland cements andalkali-activated materials (AAMs). Here, two physics-based compositionalparameters are derived to describe the relative reactivity of CaO-Al2O3-SiO2and CaO-MgO-Al2O3-SiO2 glasses in alkaline environments: (i) a modified averagemetal oxide dissociation energy (AMODE) parameter developed from moleculardynamics simulations; and (ii) a topology constraint parameter derived fromtopological constraint theory. Both parameters are seen to generally outperformexisting compositional parameters from the literature for a wide range ofaluminosilicate glasses. Given that both the modified AMODE and topologyconstraint parameters can be calculated directly from chemical compositions,this study represents a major step forward in connecting aluminosilicate glasscompositions with their reactivity in alkaline environments. The limitations ofthese compositional parameters, including their inability to capture the impactof Ca versus Mg on glass reactivity, have also been discussed.

Development of physics-based compositional parameters for predicting the reactivity of amorphous aluminosilicates in alkaline environments