Are you an EPFL student looking for a semester project?
Work with us on data science and visualisation projects, and deploy your project as an app on top of Graph Search.
Publication
Are you an EPFL student looking for a semester project?
Work with us on data science and visualisation projects, and deploy your project as an app on top of Graph Search.
Deciphering the calcium silicate hydrate (C-S-H) surface is crucial for unraveling the mechanisms of cement hydration and property development. Experimental observations of C-S-H in cement systems suggest a surface termination which is fundamentally different from the silicate-terminated surface assumed in many atomistic level studies. Here, a new multiparameter approach to describing the (001) basal C-S-H surface is developed, which considers how the surface termination affects the overall properties (Ca/Si ratio, mean chain length, relative concentration of silanol and hydroxide groups). Contrary to current beliefs, it is concluded that the (001) C-S-H surface is dominantly calcium terminated. Finally, an adsorption mechanism for calcium and hydroxide ions is proposed, which is in agreement with the surface charge densities observed in previous studies.