MgO-based supersulfated cement with different industrial by-product gypsum: Experiments and molecular dynamics simulation

Super sulfate cement (SSC) emerges as a sustainable alternative to ordinary Portland cement, boasting minimal carbon emissions and exceptional performance. As the quest for eco-friendly alternatives intensifies, there's a growing focus on exploring alkaline and sulfate activators conducive to SSC's environmental goals. This study delves into the viability of utilizing MgO as an alkaline activator in producing MgO-based supersulfated cement, while also investigating the impact of various industrial by-product gypsums on its performance. Findings reveal that employing MgO as an alkaline activator yields favorable hydration properties and mechanical strength in SSC. The optimized formulation comprises 15 % industrial by-product gypsum, 83 % granulated blast furnace slag (GGBFS), and 2 % MgO. Incorporating building gypsum and flue gas desulfurization (FGD) gypsum demonstrates superior unconfined compressive strength (UCS) growth compared to citric gypsum and phosphogypsum. Notably, gel-pores below 20 nm dominate the matrix, with variations in their distribution linked to the gypsum type used. The pH level and crystal structure of the industrial by-product gypsum emerge as pivotal factors dictating the hydration process. The interaction energy between hydrated building gypsum crystal planes and water molecules proves lower, contributing to the root cause of its high sulfate activating capability. Compared to traditional SSC, MgO-based supersulfated cement requires less alkaline activator content and accommodates more industrial by-product gypsums, thus reducing costs, CO₂ emissions, and promoting the efficient utilization of these solid wastes.