Thermodynamic modelling of alkali-activated slag cements

This paper presents a thermodynamic modelling analysis of alkali-activated slag-based cements, which are high performance and potentially low-CO<inf>2</inf> binders relative to Portland cement. The thermodynamic database used here contains a calcium (alkali) aluminosilicate hydrate ideal solid solution model (CNASH_ss), alkali carbonate and zeolite phases, and an ideal solid solution model for a hydrotalcite-like Mg-Al layered double hydroxide phase. Simulated phase diagrams for NaOH- and Na<inf>2</inf>SiO<inf>3</inf>-activated slag-based cements demonstrate the high stability of zeolites and other solid phases in these materials. Thermodynamic modelling provides a good description of the chemical compositions and types of phases formed in Na<inf>2</inf>SiO<inf>3</inf>-activated slag cements over the most relevant bulk chemical composition range for these cements, and the simulated volumetric properties of the cement paste are consistent with previously measured and estimated values. Experimentally determined and simulated solid phase assemblages for Na<inf>2</inf>CO<inf>3</inf>-activated slag cements were also found to be in good agreement. These results can be used to design the chemistry of alkali-activated slag-based cements, to further promote the uptake of this technology and valorisation of metallurgical slags.