Abstract
Studying the mechanism by which organic admixtures affect the hydration and dissolution of tricalcium silicate (C3S) reveals the effect of organic admixtures on ordinary Portland cement and enables target regulation of cement-based materials. In this study, the effects of citric-acid-modified chitosan (CAMC) on the hydration exotherm, hydration products, and microscopic morphology of C3S were investigated. The interface structures, ion adsorptions, and dissolution properties of CAMC and C3S were analyzed using a molecular dynamics simulation method. The results showed the presence of an attraction between the C3S surface and CAMC due to the existence of Op-Hw, Op-Cas, and Hp-Ow ion pairs. CAMC adsorbed most of the Ca ions released upon dissolution of C3S in the aqueous solution and the resulting pairs exhibited low solubilities. The Ca ions were located on the surfaces of C3S particles, preventing the dissolution of the particles and proving the interference effect of additives on the hydration of the cement silicate phase.
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