One-step random-walk process of nanoparticles in cement-based materials

Efficient modelling approaches capable of predicting the behavior and effects of nanoparticles in cement-based materials are required for conducting relevant experiments.From the microstructural characterization of a cement-nanoparticle system,this paper investigates the potential of cell-based weighted random-walk method to establish statistically significant relationships between chemical bonding and diffusion processes of nanoparticles within cement matrix.LaSr_(0.5)C_(0.5)O_(3)(LSCO)nanoparticles were employed to develop a discrete event system that accounts for the behavior of individual cells where nanoparticles and cement components were expected to interact.The stochastic model is based on annihilation(loss)and creation(gain)of a bond in the cell.The model considers both chemical reactions and transport mechanism of nanoparticles from cementitious cells,along with cement hydration process.This approach may be useful for simulating nanoparticle transport in complex 2D cement-based materials systems.

Microstructural and photocatalytic characterization of cement-paste sol-gel synthesized titanium dioxide

ABSTRACT A routte for the in paste synthesis of TiO2 loaded cement is described. TiO2 sols are blended with fresh cement paste as an alternative process to add photocatalytic functionality to cement. The modification of cement paste structure after the addition ofTiO2 sols is analyzed by XRD, SEM and TGA. As a particular microstructural feature, TiO2 containing calcium silicate hydrate （C-H-S） particles are identified as networking centers ofa C-S-H gel fiber matrix. The increase of the TiO2 sol concentration induces a decrease of pore size and an increase in the specific surface area in the cement composites. The photocatalytic activity of the TiO2/cement system is evaluated from the degradation of Methylene Blue （MB） under UV irradiation, monitored through the absorbance at 665 nm. The results show that, although TiO2 phases reveal no long range order structure, the cement paste exothermal treatment in presence of hydrate products and alkaline conditions leads to a photocatalytic composite. Such new cement matrix may be twofold advantageous since it additionally promotes the formation of C-S-H gel, main determinant of cement mechanical properties.