In this study, dehydrated cement paste (DCP) was used as a calcium source and solid dispersant for alkali-activated coal gangue (CG). The reaction mechanism of alkali-activated CG-DCP was revealed by detecting the compressive strength and microscopic properties of alkali-activated CG-DCP. The molecular structure characteristics of alkali-activated CG-DCP combined with the molecular dynamics were analysed. The results show that using DCP as the solid dispersant of CG could refine the particle size of CG, and improve problems of bonding and uneven distribution of particles caused by grinding. The addition of DCP could increase the calcium content in alkali-activated CG-DCP and promote the generation of more calcium silicate hydrate gel, thereby increasing its compressive strength. The secondary calcination of the CG-DCP composites could promote the release of calcium in the composites and increase the attraction force between particles in the alkali-activated CG-DCP molecular structure. The secondary calcination temperature of more than 900 degrees C can lead to attraction force decrease and molecular structure instability in the molecular structure of alkali-activated CG-DCP, resulting in decreasing compressive strength.
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