Thermodynamic simulation of Portland cement hydration in the presence of carbon nano-modifiers

The article presents the results of thermodynamic modelling in a cement-water-carbon nanomodifier system. A carbon nanomodifier contains fullerenes C60 and C70. Thermodynamic calculations make it possible to evaluate the contribution of a carbon nanomodifier to the hydration process of Portland cement. Using thermodynamic calculations, changes in phase composition and general properties of the system (total enthalpy, entropy) were determined when introducing carbon nanomodifier. The results of thermodynamic calculations are consistent with the results of X-ray-phase analysis of hydrate compositions and experimental studies.