A patchy particle model for C-S-H formation

The composition and structure of Calcium-Silicate-Hydrate (C-S-H) phases depends on various reaction parameters leading to its formation. Molecular Dynamic simulation studies probing the formation C-S-H are generally computationally expensive can reach only very short time scales. Herein, we propose a coarse graining approach model C-S-H, using patchy particles modified Patchy Brownian Cluster Dynamics algorithm. simulations show that particle systems recover qualitative kinetic evolution formation, obtained final structures were comparable previously reported molecular dynamics experiments. was extended study effect water in polymerization tetraethoxysilane oligomers, principal component an impregnation treatment for deteriorated concrete surfaces. intermediate system properties predicted by simulations, such as viscosity gel time, found be well accordance with tailored